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

Avkshtol, V; Tanny, S; Reddy, K

Purpose: Stereotactic radiation therapy (SRT) provides an excellent alternative to embolization and surgical excision for the management of appropriately selected cerebral arteriovenous malformations (AVMs). The currently accepted standard for delineating AVMs is planar digital subtraction angiography (DSA). DSA can be used to acquire a 3D data set that preserves osseous structures (3D-DA) at the time of the angiography for SRT planning. Magnetic resonance imaging (MRI) provides an alternative noninvasive method of visualizing the AVM nidus with comparable spatial resolution. We utilized 3D-DA and T1 post-contrast MRI data to evaluate the differences in SRT target volumes. Methods: Four patients underwent 3D-DAmore » and high-resolution MRI. 3D T1 post-contrast images were obtained in all three reconstruction planes. A planning CT was fused with MRI and 3D-DA data sets. The AVMs were contoured utilizing one of the image sets at a time. Target volume, centroid, and maximum and minimum dimensions were analyzed for each patient. Results: Targets delineated using post-contrast MRI demonstrated a larger mean volume. AVMs >2 cc were found to have a larger difference between MRI and 3D-DA volumes. Larger AVMs also demonstrated a smaller relative uncertainty in contour centroid position (1 mm). AVM targets <2 cc had smaller absolute differences in volume, but larger differences in contour centroid position (2.5 mm). MRI targets demonstrated a more irregular shape compared to 3D-DA targets. Conclusions: Our preliminary data supports the use of MRI alone to delineate AVM targets >2 cc. The greater centroid stability for AVMs >2 cc ensures accurate target localization during image fusion. The larger MRI target volumes did not result in prohibitively greater volumes of normal brain tissue receiving the prescription dose. The larger centroid instability for AVMs <2 cc precludes the use of MRI alone for target delineation. We recommend incorporating a 3D-DA for these patients.« less

The Age Conundrum: A Scoping Review of Younger Age or Adolescent and Young Adult as a Risk Factor for Clinical Distress, Depression, or Anxiety in Cancer

PubMed Central

David, Victoria; Giese-Davis, Janine

2015-01-01

This scoping review was conducted to understand the extent, range, and nature of current research on adolescents and young adults (AYA) with cancer and distress, depression, and anxiety (DDA). This information is necessary to find and aggregate valuable data on the AYA population embedded in generalized studies of DDA. Keyword searches of six relevant electronic databases identified 2156 articles, with 316 selected for abstract review and 40 for full text review. Full-text reviews and data extraction resulted in 34 studies being included, which ranged widely in design, sample size, age-range categorization, analysis methods, DDA measurement tool, overall study rigor, and quality of evidence. Studies very seldom reported using theory to guide their age categorization, with only four studies giving any rationale for their age-group definitions. All 34 studies found a significant association between at least one DDA construct and the younger age group relative to the older age groups at some point along the cancer trajectory. However, age as an independent risk factor for DDA is still unclear, as the relationship could be confounded by other age-related factors. Despite the wide range of definitions and effect sizes in the studies included in this review, one thing is clear: adolescents and young adults, however defined, are a distinct group within the cancer population with an elevated risk of DDA. Widespread adoption of a standard AYA age-range definition will be essential to any future meta-analytical psycho-oncology research in this population. PMID:26697266

The Age Conundrum: A Scoping Review of Younger Age or Adolescent and Young Adult as a Risk Factor for Clinical Distress, Depression, or Anxiety in Cancer.

PubMed

Lang, Michael J; David, Victoria; Giese-Davis, Janine

2015-12-01

This scoping review was conducted to understand the extent, range, and nature of current research on adolescents and young adults (AYA) with cancer and distress, depression, and anxiety (DDA). This information is necessary to find and aggregate valuable data on the AYA population embedded in generalized studies of DDA. Keyword searches of six relevant electronic databases identified 2156 articles, with 316 selected for abstract review and 40 for full text review. Full-text reviews and data extraction resulted in 34 studies being included, which ranged widely in design, sample size, age-range categorization, analysis methods, DDA measurement tool, overall study rigor, and quality of evidence. Studies very seldom reported using theory to guide their age categorization, with only four studies giving any rationale for their age-group definitions. All 34 studies found a significant association between at least one DDA construct and the younger age group relative to the older age groups at some point along the cancer trajectory. However, age as an independent risk factor for DDA is still unclear, as the relationship could be confounded by other age-related factors. Despite the wide range of definitions and effect sizes in the studies included in this review, one thing is clear: adolescents and young adults, however defined, are a distinct group within the cancer population with an elevated risk of DDA. Widespread adoption of a standard AYA age-range definition will be essential to any future meta-analytical psycho-oncology research in this population.

Infiltration of Liquid Droplets Into Porous Media: Effects of Dynamic Contact Angle and Contact Angle Hysteresis

NASA Astrophysics Data System (ADS)

Hilpert, M.

2008-12-01

Infiltration of liquid droplets into dry porous media occurs when rain drops fall onto soil, when accidentally spilling organic liquid (e.g., gasoline and chlorinated solvents) onto ground, or when aerosol pesticides are not intercepted by the vegetation and then released to soils. If harmful chemicals are released from the droplet into the atmosphere through evaporation, it is important to know the time of infiltration. We developed a theory for infiltration, which accounts for a general model for the dynamic contact angle between the droplet and the porous medium as well as contact angle hysteresis. Our theory assumes the droplet to have the shape of a spherical cap and the pressure within the droplet to be uniform. The theory shows that droplet infiltration involves three phases due to contact angle hysteresis: (1) an increasing drawing area (IDA) phase during which the interface between the droplet and the porous medium increases, (2) a constant drawing area (CDA) phase during which the contact line of the droplet remains pinned, and (3) a decreasing drawing area (DDA) phase. We find that infiltration always consists of a cascade process formed by the IDA, CDA, and DDA phases, where the entire process may begin or end in any of the three phases. The entire process is formulated with four nondimensional parameters: three contact angles (initial, advancing, and receding) and a porous permeability parameter that depends on porous medium geometry. The total time of infiltration and the time dependence of drawing area are critically affected by the occurrence of the IDA, CDA, and DDA phases as well as by the permeability. In general, the IDA and DDA phases are described by integro-differential equations. With ordinary differential equations (ODEs), we are able to approximate the IDA phase and to describe exactly infiltration processes that starts out with the CDA or DDA phase.

Biodegradation of dichlorodiphenyltrichloroethane: intermediates in dichlorodiphenylacetic acid metabolism by aerobacter aerogenes

USGS Publications Warehouse

Wedemeyer, Gary

1967-01-01

The final product of dichlorodiphenyltrichloroethane (DDT) degradation by vertebrates is commonly considered to be dichlorodiphenylacetic acid, DDA. Recently, certain organisms have been found to degrade further DDA to dichlorobenzophenone (DBP), but the possibility that such degradation was due to microbial action could not be excluded. Significantly, dichlorobenzhydrol (DBH), dichlorophenylmethane (DPM), and dichlorodiphenylethylene (DDE) have been tentatively identified in rats fed DDA. Since DDA as well as DDT is degraded by the ubiquitous microorganism Aerobacter aerogenes, it seemed reasonable that the intestinal microflora might be involved in DBP formation, DPM and DBH being intermediates in its pathway from DDA. Since DDA is a (3,y-unsaturated acid, ketone formation via an alkene and an alcohol would be expected.

Direction dependence analysis: A framework to test the direction of effects in linear models with an implementation in SPSS.

PubMed

Wiedermann, Wolfgang; Li, Xintong

2018-04-16

In nonexperimental data, at least three possible explanations exist for the association of two variables x and y: (1) x is the cause of y, (2) y is the cause of x, or (3) an unmeasured confounder is present. Statistical tests that identify which of the three explanatory models fits best would be a useful adjunct to the use of theory alone. The present article introduces one such statistical method, direction dependence analysis (DDA), which assesses the relative plausibility of the three explanatory models on the basis of higher-moment information about the variables (i.e., skewness and kurtosis). DDA involves the evaluation of three properties of the data: (1) the observed distributions of the variables, (2) the residual distributions of the competing models, and (3) the independence properties of the predictors and residuals of the competing models. When the observed variables are nonnormally distributed, we show that DDA components can be used to uniquely identify each explanatory model. Statistical inference methods for model selection are presented, and macros to implement DDA in SPSS are provided. An empirical example is given to illustrate the approach. Conceptual and empirical considerations are discussed for best-practice applications in psychological data, and sample size recommendations based on previous simulation studies are provided.

Absorption, distribution, metabolism, and excretion of decursin and decursinol angelate from Angelica gigas Nakai.

PubMed

Kim, Kang Min; Kim, Myo Jeong; Kang, Jae Seon

2009-12-01

The pharmacokinetics of decursin and decursinol angelate (D/DA) was investigated in male SD rats following oral and intravenous administration. D/DA and metabolites obtained from in vitro samples were evaluated by LC/MS. The level of D/DA and metabolized decursinol in the blood following oral and intravenous administration declined according to first-order kinetics, with T1/2 values of 56.67, 58.01 and 57.22 h, respectively, being observed after administration of a dose of 2 mg/kg body weight. The large intestine was the major site of disposition following oral administration. These data indicate that D/DA is rapidly absorbed from the gastrointestinal tract. In in vitro experiment utilizing liver microsomal protein, the major metabolic reaction of D/DA occurred to change decursinol. The cumulative biliary, urinary, and fecal excretion of D/DA in bile duct-cannulated rats was 36.10+/-2.9, 25.35+/-3.8, and 34.20+/-3.2%, respectively, at 72 h after administration. These results indicate that the absorption of D/DA is almost complete, and that its metabolites are primarily excreted into feces through the bile. These results indicate that D/DA is subject to enterohepatic circulation.

DDA3 associates with microtubule plus ends and orchestrates microtubule dynamics and directional cell migration

PubMed Central

Zhang, Liangyu; Shao, Hengyi; Zhu, Tongge; Xia, Peng; Wang, Zhikai; Liu, Lifang; Yan, Maomao; Hill, Donald L.; Fang, Guowei; Chen, Zhengjun; Wang, Dongmei; Yao, Xuebiao

2013-01-01

Cell motility and adhesion involve orchestrated interaction of microtubules (MTs) with their plus-end tracking proteins (+TIPs). However, the mechanisms underlying regulations of MT dynamics and directional cell migration are still elusive. Here, we show that DDA3-EB1 interaction orchestrates MT plus-end dynamics and facilitates directional cell migration. Biochemical characterizations reveal that DDA3 interacts with EB1 via its SxIP motif within the C-terminal Pro/Ser-rich region. Time-lapse and total internal reflection fluorescence (TIRF) microscopic assays demonstrate that DDA3 exhibits EB1-dependent, MT plus-end loading and tracking. The EB1-based loading of DDA3 is responsible for MT plus-ends stabilization at the cell cortex, which in turn orchestrates directional cell migration. Interestingly, the DDA3-EB1 interaction is potentially regulated by EB1 acetylation, which may account for physiological regulation underlying EGF-elicited cell migration. Thus, the EB1-based function of DDA3 links MT dynamics to directional cell migration. PMID:23652583

Limitations of pH-potentiometric titration for the determination of the degree of deacetylation of chitosan.

PubMed

Balázs, Nándor; Sipos, Pál

2007-01-15

The degree of deacetylation (DDA) of chitosan determines the biopolymer's physico-chemical properties and technological applications. pH-Potentiometric titration seems to offer a simple and convenient means of determining DDA. However, to obtain accurate pH-potentiometric DDA values, several factors have to be taken into consideration. We found that the moisture content of the air-dry chitosan samples can be as high as 15%, and a reasonable fraction of this humidity cannot be removed by ordinary drying. Corrections have to be made for the ash content, as in some samples it can be as high as 1% by weight. The method of equivalence point determination was also found to cause systematic variations in the results and in some samples extra acid as high as 1 mol% of the free amino content was also identified. To compensate for the latter effect, the second equivalence point of the titration has to be determined separately and the analytical concentration of the acid be corrected for it. All the corrections listed here are necessary to obtain DDA values that are in reasonable agreement with those obtained from (1)H NMR and IR spectroscopic measurements. The need for these corrections severely limits the usefulness of pH-metry for determining accurate DDA values and thus potentiometry is hardly able to compete with other standard spectroscopic procedures, that is, (1)H NMR spectroscopy.

Numerical simulation of raindrop scattering for C-band dual-polarization Doppler weather radar parameters

NASA Astrophysics Data System (ADS)

Teng, Shiwen; Hu, Hanfeng; Liu, Chao; Hu, Fangchao; Wang, Zhenhui; Yin, Yan

2018-07-01

The dual-polarization Doppler weather radar plays an important role in precipitation estimation and weather monitoring. For radar applications, the retrieval of precipitation microphysical characteristics is of great importance, and requires assumed scattering properties of raindrops. This study numerically investigates the scattering properties of raindrops and considers the capability of numerical models for raindrop scattering simulations. Besides the widely used spherical and oblate spheroid models, a non-spheroidal model based on realistic raindrop geometries with a flattened base and a smoothly rounded top is also considered. To study the effects of scattering simulations on radar applications, the polarization radar parameters are modeled based on the scattering properties calculated by different scattering models (i.e. the extended boundary condition T-matrix (EBCM) method and discretize dipole approximation (DDA)) and given size distributions, and compared with observations of a C-band dual-polarization radar. Note that, when the spatial resolution of the DDA simulation is large enough, the DDA results can be very close to those of the EBCM. Most simulated radar variables, except copolar correlation coefficient, match closely with radar observations, and the results based on different non-spheroidal models considered in this study show little differences. The comparison indicates that, even for the C-band radar, the effects of raindrop shape and canting angle on scattering properties are relatively minor due to relatively small size parameters. However, although more realistic particle geometry model may provide better representation on raindrop shape, considering the relatively time-consuming and complex scattering simulations for those particles, the oblate spheroid model with appropriate axis ratio variation is suggested for polarization radar applications.

Formulation Study of Topically Applied Lotion: In Vitro and In Vivo Evaluation

PubMed Central

Hussain Shah, Syed Nisar; Hussain, Talib; Ullah Khan, Ikram; Asghar, Sajid; Shahzad, Yasser

2013-01-01

Introduction This article presents the development and evaluation of a new topical formulation of diclofenac diethylamine (DDA) as a locally applied analgesic lotion. Methods To this end, the lotion formulations were formulated with equal volume of varying concentrations (1%, 2%, 3%, 4%; v/v) of permeation enhancers, namely propylene glycol (PG) and turpentine oil (TO). These lotions were subjected to physical studies (pH, viscosity, spreadability, homogeneity, and accelerated stability), in vitro permeation, in vivo animal studies and sensatory perception testing. In vitro permeation of DDA from lotion formulations was evaluated across polydimethylsiloxane membrane and rabbit skin using Franz cells. Results It was found that PG and TO content influenced the permeation of DDA across model membranes with the lotion containing 4% v/v PG and TO content showed maximum permeation enhancement of DDA. The flux values for L4 were 1.20±0.02 μg.cm-2.min-1 and 0.67 ± 0.02 μg.cm-2.min-1 for polydimethylsiloxane and rabbit skin, respectively. Flux values were significantly different (p < 0.05) from that of the control. The flux enhancement ratio of DDA from L4 was 31.6-fold and 4.8-fold for polydimethylsiloxane and rabbit skin, respectively. In the in vivo animal testing, lotion with 4% v/v enhancer content showed maximum anti-inflammatory and analgesic effect without inducing any irritation. Sensatory perception tests involving healthy volunteers rated the formulations between 3 and 4 (values ranging between -4 to +4, indicating a range of very bad to excellent, respectively). Conclusion It was concluded that the DDA lotion containing 4% v/v PG and TO exhibit the best performance overall and that this specific formulation should be the basis for further clinical investigations. PMID:23678465

The concept of apparent polarizability for calculating the extinction of electromagnetic radiation by porous aerosol particles

NASA Astrophysics Data System (ADS)

Haspel, C.; Adler, G.

2017-04-01

In the current study, the electromagnetic properties of porous aerosol particles are calculated in two ways. In the first, a porous target input file is generated by carving out voids in an otherwise homogeneous particle, and the discrete dipole approximation (DDA) is used to compute the extinction efficiency of the particle assuming that the voids are near vacuum dielectrics and assuming random particle orientation. In the second, an effective medium approximation (EMA) style approach is employed in which an apparent polarizability of the voids is defined based on the well-known solution to the problem in classical electrostatics of a spherical cavity within a dielectric. It is found that for porous particles with smaller overall diameter with respect to the wavelength of incident radiation, describing the voids as near vacuum dielectrics within the DDA sufficiently reproduces measured values of extinction efficiency, whereas for porous particles with moderate to larger overall diameters with respect to the wavelength of the radiation, the apparent polarizability EMA approach better reproduces the measured values of extinction efficiency.

Gender matters: Experiences and consequences of digital dating abuse victimization in adolescent dating relationships.

PubMed

Reed, Lauren A; Tolman, Richard M; Ward, L Monique

2017-08-01

Digital dating abuse (DDA) behaviors include the use of digital media to monitor, control, threaten, harass, pressure, or coerce a dating partner. In this study, 703 high school students reported on the frequency of DDA victimization, whether they were upset by these incidents, and how they responded. Results suggest that although both girls and boys experienced DDA at similar rates of frequency (with the exception of sexual coercion), girls reported that they were more upset by these behaviors. Girls also expressed more negative emotional responses to DDA victimization than boys. Although DDA is potentially harmful for all youth, gender matters. These findings suggest that the experience and consequences of DDA may be particularly detrimental for girls. Copyright © 2017 The Foundation for Professionals in Services for Adolescents. Published by Elsevier Ltd. All rights reserved.

Low capping group surface density on zinc oxide nanocrystals.

PubMed

Valdez, Carolyn N; Schimpf, Alina M; Gamelin, Daniel R; Mayer, James M

2014-09-23

The ligand shell of colloidal nanocrystals can dramatically affect their stability and reaction chemistry. We present a methodology to quantify the dodecylamine (DDA) capping shell of colloidal zinc oxide nanocrystals in a nonpolar solvent. Using NMR spectroscopy, three different binding regimes are observed: strongly bound, weakly associated, and free in solution. The surface density of bound DDA is constant over a range of nanocrystal sizes, and is low compared to both predictions of the number of surface cations and maximum coverages of self-assembled monolayers. The density of strongly bound DDA ligands on the as-prepared ZnO NCs is 25% of the most conservative estimate of the maximum surface DDA density. Thus, these NCs do not resemble the common picture of a densely capped surface ligand layer. Annealing the ZnO NCs in molten DDA for 12 h at 160 °C, which is thought to remove surface hydroxide groups, resulted in a decrease of the weakly associated DDA and an increase in the density of strongly bound DDA, to ca. 80% of the estimated density of a self-assembled monolayer on a flat ZnO surface. These findings suggest that as-prepared nanocrystal surfaces contain hydroxide groups (protons on the ZnO surfaces) that inhibit strong binding of DDA.

Intensify dodecylamine adsorption on magnesite and dolomite surfaces by monohydric alcohols

NASA Astrophysics Data System (ADS)

Zhang, Hao; Liu, Wengang; Han, Cong; Wei, Dezhou

2018-06-01

The flotation of magnesite and dolomite were investigated with the presence of single dodecylamine (DDA) and combined mixtures of DDA and monohydric alcohols, respectively. The adsorption behavior of DDA, butanol, hexanol and octanol on the surface of the two minerals were shown by molecular dynamics simulation, and the results were corresponding with the analysis of zeta potential, measurements of the contact angle and adsorption. Flotation results indicated that part of DDA could be replaced by the three alcohols (butanol, hexanol, octanol) to get better flotation results. Molecular dynamics simulation and the results of zeta potential and contact angle measurements indicated that adsorption of DDA on mineral surfaces could be strengthened by monohydric alcohols.

Calculation of the force acting on a micro-sized particle with optical vortex array laser beam tweezers

NASA Astrophysics Data System (ADS)

Kuo, Chun-Fu; Chu, Shu-Chun

2013-03-01

Optical vortices possess several special properties, including carrying optical angular momentum (OAM) and exhibiting zero intensity. Vortex array laser beams have attracts many interests due to its special mesh field distributions, which show great potential in the application of multiple optical traps and dark optical traps. Previously study developed an Ince-Gaussian Mode (IGM)-based vortex array laser beam1. This study develops a simulation model based on the discrete dipole approximation (DDA) method for calculating the resultant force acting on a micro-sized spherical dielectric particle that situated at the beam waist of the IGM-based vortex array laser beams1.

Impact of the structural differences between α- and β-chitosan on their depolymerizing reaction and antibacterial activity.

PubMed

Jung, Jooyeoun; Zhao, Yanyun

2013-09-18

The polymeric structure characteristics of β-chitosan from jumbo squid (Dosidicus gigas) pens and α-chitosan from shrimp shells during depolymerization by cellulase hydrolysis at different degrees of deacetylation (DDA) (60, 75, and 90%) were investigated by using Fourier transform infrared spectroscopy and X-ray diffraction. Antibacterial activity of β-chitosan against Escherichia coli and Listeria innocua was compared with that of α-chitosan at similar Mw and degrees of deacetylation (DDA) by studying inhibition ratio and minimal inhibition concentration (MIC) and was coordinated with the structural characteristics of the two forms of chitosan. β-Chitosan was more reactive to cellulase hydrolysis than α-chitosan due to its relatively lower crystallinity (CI) and loose crystal property, and the 75% DDA chitosan was more susceptible to cellulase than the 90% DDA ones with the 75% DDA of β-chitosan mostly reactive. Both forms of chitosan showed more inhibition against E. coli than against L. innocua, and no difference against L. innocua between the two forms of chitosan was observed. However, the two forms of chitosan exhibited different levels of antibacterial activity against E. coli, in which 75% DDA/31 kDa β-chitosan demonstrated significantly higher inhibition (lower MIC) than that of 75% DDA/31 kDa α-chitosan, whereas 90% DDA/74-76 kDa α-chitosan had a higher inhibition ratio than that of 90% DDA/74-76 kDa of β-chitosan. This result may be explained by the impact of the different structural properties between α- and β-chitosan on chitosan conformations in the solution. This study provided new information about the biological activities of β-chitosan, a bioactive compound with unique functionalities and great potential for food and other applications.

The Kinetic Mechanism for DNA Unwinding by Multiple Molecules of Dda Helicase Aligned on DNA†

PubMed Central

Eoff, Robert L.; Raney, Kevin D.

2010-01-01

Helicases catalyze the separation of double-stranded nucleic acids to form single-stranded intermediates. Using transient state kinetic methods we have determined the kinetic properties of DNA unwinding under conditions that favor a monomeric form of the Dda helicase as well as conditions that allow multiple molecules to function on the same substrate. Multiple helicase molecules can align like a train on the DNA track. The number of base pairs unwound in a single binding event for Dda is increased from ~19 bp for the monomeric form to ~64 bp when as many as four Dda molecules are aligned on the same substrate, while the kinetic step-size (3.2 ± 0.7 bp) and unwinding rate (242 ± 25 bp s−1) appear to be independent of the number of Dda molecules present on a given substrate. The data support a model in which the helicase molecules bound to the same substrate move along the DNA track independently during DNA unwinding. The observed increase in processivity arises from the increased probability that at least one of the helicases will completely unwind the DNA prior to dissociation. These results are in contrast to previous reports in which multiple Dda molecules on the same track greatly enhanced the rate and amplitude for displacement of protein blocks on the track. Therefore, only when the progress of the lead molecule in the train is impeded by some type of block, such as a protein bound to DNA, do the trailing molecules interact with the lead molecule in order to overcome the block. The fact that trailing helicase molecules have little impact on the lead molecule in the train during routine DNA unwinding suggests that the trailing molecules are moving at similar rates as the lead molecule. This result implicates a step in the translocation mechanism as contributing greatly to the overall rate-limiting step for unwinding of duplex DNA. PMID:20408588

DNA unwinding by Escherichia coli DNA helicase I (TraI) provides evidence for a processive monomeric molecular motor.

PubMed

Sikora, Bartek; Eoff, Robert L; Matson, Steven W; Raney, Kevin D

2006-11-24

The F plasmid TraI protein (DNA helicase I) plays an essential role in conjugative DNA transfer as both a transesterase and a helicase. Previous work has shown that the 192-kDa TraI protein is a highly processive helicase, catalytically separating >850 bp under steady-state conditions. In this report, we examine the kinetic mechanism describing DNA unwinding of TraI. The kinetic step size of TraI was measured under both single turnover and pre-steady-state conditions. The resulting kinetic step-size estimate was approximately 6-8 bp step(-1). TraI can separate double-stranded DNA at a rate of approximately 1100 bp s(-1), similar to the measured unwinding rate of the RecBCD helicase, and appears to dissociate very slowly from the 3' terminus following translocation and strand-separation events. Analyses of pre-steady-state burst amplitudes indicate that TraI can function as a monomer, similar to the bacteriophage T4 helicase, Dda. However, unlike Dda, TraI is a highly processive monomeric helicase, making it unique among the DNA helicases characterized thus far.

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

Tan, Heng Kean

14-Deoxy-11,12-didehydroandrographolide (14-DDA), a major diterpenoid isolated from Andrographis paniculata (Burm.f.) Nees, is known to be cytotoxic and elicits a non-apoptotic cell death in T-47D breast carcinoma cells. In this study, the mechanistic toxicology properties of 14-DDA in T-47D cells were further investigated. 14-DDA is found to induce the formation of endoplasmic reticulum (ER) vacuoles and autophagosomes, with concurrent upregulation of LC3-II in the breast carcinoma cells. It stimulated an increase in cytosolic calcium concentration and caused a collapse in mitochondrial membrane potential in these cells. In addition, both DDIT3 and GADD45A, molecules implicated in ER stress pathway, were significantly upregulated.more » DDIT3 knockdown suppressed the formation of both ER vacuoles and autophagosomes, indicating that 14-DDA-induced ER stress and autophagy is dependent on this transcription factor. Collectively, it is possible that GADD45A/p38 MAPK/DDIT3 pathway is involved in the 14-DDA-induced ER-stress-mediated autophagy in T-47D cells. - Highlights: • The mechanistic toxicology properties of 14-DDA in T-47D breast carcinoma cells were investigated. • 14-DDA induces the formation of ER vacuoles and autophagosomes, with concurrent upregulation of LC3-II. • It stimulates an increase in cytosolic calcium concentration and causing collapse in the mitochondrial membrane potential. • Both DDIT3 and GADD45A, molecules implicated in ER stress pathway, were significantly upregulated. • 4-DDA induces ER stress-mediated autophagy in T-47D cells possibly via GADD45A/p38 MAPK/DDIT3 pathway.« less

Snowfall retrieval at X, Ka and W bands: consistency of backscattering and microphysical properties using BAECC ground-based measurements

NASA Astrophysics Data System (ADS)

Tecla Falconi, Marta; von Lerber, Annakaisa; Ori, Davide; Silvio Marzano, Frank; Moisseev, Dmitri

2018-05-01

Radar-based snowfall intensity retrieval is investigated at centimeter and millimeter wavelengths using co-located ground-based multi-frequency radar and video-disdrometer observations. Using data from four snowfall events, recorded during the Biogenic Aerosols Effects on Clouds and Climate (BAECC) campaign in Finland, measurements of liquid-water-equivalent snowfall rate S are correlated to radar equivalent reflectivity factors Ze, measured by the Atmospheric Radiation Measurement (ARM) cloud radars operating at X, Ka and W frequency bands. From these combined observations, power-law Ze-S relationships are derived for all three frequencies considering the influence of riming. Using microwave radiometer observations of liquid water path, the measured precipitation is divided into lightly, moderately and heavily rimed snow. Interestingly lightly rimed snow events show a spectrally distinct signature of Ze-S with respect to moderately or heavily rimed snow cases. In order to understand the connection between snowflake microphysical and multi-frequency backscattering properties, numerical simulations are performed by using the particle size distribution provided by the in situ video disdrometer and retrieved ice particle masses. The latter are carried out by using both the T-matrix method (TMM) applied to soft-spheroid particle models with different aspect ratios and exploiting a pre-computed discrete dipole approximation (DDA) database for rimed aggregates. Based on the presented results, it is concluded that the soft-spheroid approximation can be adopted to explain the observed multi-frequency Ze-S relations if a proper spheroid aspect ratio is selected. The latter may depend on the degree of riming in snowfall. A further analysis of the backscattering simulations reveals that TMM cross sections are higher than the DDA ones for small ice particles, but lower for larger particles. The differences of computed cross sections for larger and smaller particles are compensating for each other. This may explain why the soft-spheroid approximation is satisfactory for radar reflectivity simulations under study.

The Impact of Microstructure on an Accurate Snow Scattering Parameterization at Microwave Wavelengths

NASA Astrophysics Data System (ADS)

Honeyager, Ryan

High frequency microwave instruments are increasingly used to observe ice clouds and snow. These instruments are significantly more sensitive than conventional precipitation radar. This is ideal for analyzing ice-bearing clouds, for ice particles are tenuously distributed and have effective densities that are far less than liquid water. However, at shorter wavelengths, the electromagnetic response of ice particles is no longer solely dependent on particle mass. The shape of the ice particles also plays a significant role. Thus, in order to understand the observations of high frequency microwave radars and radiometers, it is essential to model the scattering properties of snowflakes correctly. Several research groups have proposed detailed models of snow aggregation. These particle models are coupled with computer codes that determine the particles' electromagnetic properties. However, there is a discrepancy between the particle model outputs and the requirements of the electromagnetic models. Snowflakes have countless variations in structure, but we also know that physically similar snowflakes scatter light in much the same manner. Structurally exact electromagnetic models, such as the discrete dipole approximation (DDA), require a high degree of structural resolution. Such methods are slow, spending considerable time processing redundant (i.e. useless) information. Conversely, when using techniques that incorporate too little structural information, the resultant radiative properties are not physically realistic. Then, we ask the question, what features are most important in determining scattering? This dissertation develops a general technique that can quickly parameterize the important structural aspects that determine the scattering of many diverse snowflake morphologies. A Voronoi bounding neighbor algorithm is first employed to decompose aggregates into well-defined interior and surface regions. The sensitivity of scattering to interior randomization is then examined. The loss of interior structure is found to have a negligible impact on scattering cross sections, and backscatter is lowered by approximately five percent. This establishes that detailed knowledge of interior structure is not necessary when modeling scattering behavior, and it also provides support for using an effective medium approximation to describe the interiors of snow aggregates. The Voronoi diagram-based technique enables the almost trivial determination of the effective density of this medium. A bounding neighbor algorithm is then used to establish a greatly improved approximation of scattering by equivalent spheroids. This algorithm is then used to posit a Voronoi diagram-based definition of effective density approach, which is used in concert with the T-matrix method to determine single-scattering cross sections. The resulting backscatters are found to reasonably match those of the DDA over frequencies from 10.65 to 183.31 GHz and particle sizes from a few hundred micrometers to nine millimeters in length. Integrated error in backscatter versus DDA is found to be within 25% at 94 GHz. Errors in scattering cross-sections and asymmetry parameters are likewise small. The observed cross-sectional errors are much smaller than the differences observed among different particle models. This represents a significant improvement over established techniques, and it demonstrates that the radiative properties of dense aggregate snowflakes may be adequately represented by equal-mass homogeneous spheroids. The present results can be used to supplement retrieval algorithms used by CloudSat, EarthCARE, Galileo, GPM and SWACR radars. The ability to predict the full range of scattering properties is potentially also useful for other particle regimes where a compact particle approximation is applicable.

Real-time video signal processing by generalized DDA and control memories: three-dimensional rotation and mapping

NASA Astrophysics Data System (ADS)

Hama, Hiromitsu; Yamashita, Kazumi

1991-11-01

A new method for video signal processing is described in this paper. The purpose is real-time image transformations at low cost, low power, and small size hardware. This is impossible without special hardware. Here generalized digital differential analyzer (DDA) and control memory (CM) play a very important role. Then indentation, which is called jaggy, is caused on the boundary of a background and a foreground accompanied with the processing. Jaggy does not occur inside the transformed image because of adopting linear interpretation. But it does occur inherently on the boundary of the background and the transformed images. It causes deterioration of image quality, and must be avoided. There are two well-know ways to improve image quality, blurring and supersampling. The former does not have much effect, and the latter has the much higher cost of computing. As a means of settling such a trouble, a method is proposed, which searches for positions that may arise jaggy and smooths such points. Computer simulations based on the real data from VTR, one scene of a movie, are presented to demonstrate our proposed scheme using DDA and CMs and to confirm the effectiveness on various transformations.

Snooping and Sexting: Digital Media as a Context for Dating Aggression and Abuse Among College Students.

PubMed

Reed, Lauren A; Tolman, Richard M; Ward, L Monique

2016-11-01

Digital dating abuse (DDA) is a pattern of behaviors that control, pressure, or threaten a dating partner using a cell phone or the Internet. A survey of 365 college students was conducted, finding that digital monitoring behaviors were especially common. There were no gender differences in number of DDA behaviors experienced, but women reported more negative hypothetical reactions to sexual messaging than men. DDA was associated with measures of physical, sexual, and psychological dating violence. Results suggest that digital media are a context for potentially harmful dating behaviors, and the experience of DDA may differ by gender for sexual behaviors. © The Author(s) 2016.

How to constrain snow particle scattering models? A novel approach using triple-frequency radar Doppler spectra.

NASA Astrophysics Data System (ADS)

Kneifel, S.; Battaglia, A.; Kollias, P.; Leinonen, J. S.; Maahn, M.; Kalesse, H.; Tridon, F.; Crewell, S.

2016-12-01

During the last years, an increasing number of microwave (MW) scattering databases and novel approximations for single particles, complex aggregates and even rimed and melting aggregates became available. While these developments are in general a great step forward, their evaluation with observations is a very necessary but also challenging task. Recently available multi-frequency radar observations which cover the Rayleigh up to the Mie scattering regime revealed characteristic signatures of rimed and unrimed aggregated particles. However, the observed signatures are still affected by both, the particle size distribution (PSD) and the single scattering properties of the particles which makes a clear evaluation of one or the other challenging. In this contribution we present a new approach which uses the radar Doppler spectra at three frequencies (X, Ka, and W-band) collected during a recent winter field campaign in Finland. We analyzed a snowfall event which includes rimed and unrimed snow aggregates. A large selection of spectra obtained from low-turbulence regions within the cloud reveals distinctly different signatures of the derived Doppler spectral ratios. Due to the third frequency, a characteristic curve can be derived which is almost independent of the underlying particle size distribution and velocity-size relation. The characteristics of the curves obtained for rimed and unrimed are distinctly different. The observed signatures were compared with scattering calculations obtained with discrete dipole approximation (DDA), self-similar Rayleigh-Gans approximation (SSRG), and with the classical soft spheroid (T-Matrix) method. While the DDA calculations of unrimed and rimed aggregates fit the observed signatures well, the T-Matrix results lie far outside the observed range. The SSRG approximations was found to be principally able to recover the main features but a better matching would need an adjustment of the published coefficients. Future campaigns, like the new German Collaborative Research Center Arctic Amplification: Climate Relevant Atmospheric and Surface Processes, and Feedback Mechanisms (AC)³, will provide combined airborne in-situ and remote sensing observations of mixed-phase clouds to further validate the results of the triple-frequency Doppler spectra approach.

Biodegradation of ichlorodiphenyltrichloroe-thane: Intermediates in dichlorodiphenylacetic acid metabolism by Aerobacter aerogenes

USGS Publications Warehouse

1967-01-01

The final product of dichlorodiphenyltrichloroethane (DDT) degradation by vertebrates is commonly considered to be dichlorodiphenylacetic acid, DDA (J. E. Peterson and W. H. Robison, Toxicol. Appl. Pharmacol. 6:321, 1964). Recently, certain organisms (A. S. Perry, S. Miller, and A. J. Buckner. J. Agr. Food Chem. 11:457, 1963; J. D. Pinto, M. N. Comien, and M. S. Dunn. J. Biol. Chem. 240:2148, 1965) have been found to degrade further DDA to dichlorobenzophenone (DBP), but the possibility that such degradation was due to microbial action could not be excluded. Significantly, dichlorobenzhydrol (DBH), dichlorophenylmethane (DPM), and dichlorodiphenylethylene (DDE) have been tentatively identified in rats fed DDA (Pinto et al., J. Biol. Chem. 240:2148, 1965). Since DDA as well as DDT is degraded by the ubiquitous microorganism Aerobacter aerogenes (G. Wedemeyer, Appl. Microbiol. 15:569, 1967; J. L. Mendel, and M. S. Walton, Science 151:1527, 1966), it seemed reasonable that the intestinal microflora might be involved in DBP formation, DPM and DBH being intermediates in its pathway from DDA. Since DDA is a (3,y-unsaturated acid, ketone formation via an alkene and an alcohol would be expected (S. G. Waley, Mechanisms of Organic and Enzymatic Reactions, Oxford University Press, London, England 1962).

Seasonal Flight, Optimal Timing and Efficacy of Selected Insecticides for Cabbage Maggot (Delia radicum L., Diptera: Anthomyiidae) Control

PubMed Central

Bažok, Renata; Ceranić-Sertić, Mirna; Barčić, Jasminka Igrc; Borošić, Josip; Kozina, Antonela; Kos, Tomislav; Lemić, Darija; Čačija, Maja

2012-01-01

In order to describe seasonal flight activity of the cabbage maggot Delia radicum (L.) adults in relation to Julian days (JD), degree-day accumulations (DDA) and precipitation, flight dynamics were followed weekly with the use of yellow sticky traps (YST). Climatic data were collected and DDA were calculated using the lower developmental threshold of 4.3 °C. The efficacy of four insecticides applied either as standard foliar treatment or through dipping the seedlings before transplanting was determined. Seasonal flight activity during the cultivation season of a mid-early variety of white cabbage was correlated with DDA and JD and was characterized by having two peaks. The first peak occurred between 119 ± 7.5 JD and 125.5 ± 8 JD when DDA was 471.35 ± 74.97 °C. The second occurred between 172.8 ± 6.1 JD and 179.3 ± 6.7 JD when DDA was 1,217.28 ± 96.12 °C. The DDA, cumulative capture of flies and JD are suitable for predicting the timing of insecticide application. Spraying with insecticides should be applied when the cumulative capture of flies reaches 100 flies/YST and when DDA reaches 400 °C. If only one parameter reaches the threshold, additional visual surveys should be employed to establish the level of infestation. Insecticides were able to ensure only partial control. In the future, alternative control tactics which employ seed treatments and nonpesticide measures should be investigated in Croatia. PMID:26466723

Estimating ice particle scattering properties using a modified Rayleigh-Gans approximation

NASA Astrophysics Data System (ADS)

Lu, Yinghui; Clothiaux, Eugene E.; Aydin, Kültegin; Verlinde, Johannes

2014-09-01

A modification to the Rayleigh-Gans approximation is made that includes self-interactions between different parts of an ice crystal, which both improves the accuracy of the Rayleigh-Gans approximation and extends its applicability to polarization-dependent parameters. This modified Rayleigh-Gans approximation is both efficient and reasonably accurate for particles with at least one dimension much smaller than the wavelength (e.g., dendrites at millimeter or longer wavelengths) or particles with sparse structures (e.g., low-density aggregates). Relative to the Generalized Multiparticle Mie method, backscattering reflectivities at horizontal transmit and receive polarization (HH) (ZHH) computed with this modified Rayleigh-Gans approach are about 3 dB more accurate than with the traditional Rayleigh-Gans approximation. For realistic particle size distributions and pristine ice crystals the modified Rayleigh-Gans approach agrees with the Generalized Multiparticle Mie method to within 0.5 dB for ZHH whereas for the polarimetric radar observables differential reflectivity (ZDR) and specific differential phase (KDP) agreement is generally within 0.7 dB and 13%, respectively. Compared to the A-DDA code, the modified Rayleigh-Gans approximation is several to tens of times faster if scattering properties for different incident angles and particle orientations are calculated. These accuracies and computational efficiencies are sufficient to make this modified Rayleigh-Gans approach a viable alternative to the Rayleigh-Gans approximation in some applications such as millimeter to centimeter wavelength radars and to other methods that assume simpler, less accurate shapes for ice crystals. This method should not be used on materials with dielectric properties much different from ice and on compact particles much larger than the wavelength.

Field Tests of Optical Instruments

DTIC Science & Technology

1947-03-15

s > S3KS55Ü j.6),&;i.r..fc..’.w.~— * s1 Field Tests of Optical Instruments ^. (Not known) (Same) Bureau of Ordnance. Washington, D..D...a large-scale field test of optical instruments are described. The tests were instituted to check the correctness of theoretical considerations and...of laboratory tests -which have been v.sed in the selection and design of such instruments. Field con- ditions approximated as far as possible those

Chemopreventive effects of Korean Angelica vs. its major pyranocoumarins on two lineages of transgenic adenocarcinoma of mouse prostate carcinogenesis

PubMed Central

Tang, Su-Ni; Zhang, Jinhui; Wu, Wei; Jiang, Peixin; Puppala, Manohar; Zhang, Yong; Xing, Chengguo; Kim, Sung-Hoon; Jiang, Cheng; Lü, Junxuan

2015-01-01

We showed previously that daily gavage of Angelica gigas Nakai (AGN) root ethanolic extract starting 8 weeks of age inhibited growth of prostate epithelium and neuroendocrine carcinomas (NE-Ca) in the transgenic adenocarcinoma of mouse prostate (TRAMP) model. Since decursin (D) and its isomer decursinol angelate (DA) are major pyranocoumarins in AGN extract, we tested the hypothesis that D/DA represented active/prodrug compounds against TRAMP carcinogenesis. Three groups of male C57BL/6 TRAMP mice were gavage-treated daily with excipient vehicle, AGN (5 mg per mouse) or equimolar D/DA (3 mg per mouse) from 8 weeks to 16 or 28 weeks of age. Measurement of plasma and NE-Ca D, DA and their common metabolite decursinol indicated similar retention from AGN vs. D/DA dosing. The growth of TRAMP dorsolateral prostate (DLP) in AGN-and D/DA-treated mice was inhibited by 66% and 61% at 16 weeks and by 67% and 72% at 28 weeks, respectively. Survival of mice bearing NE-Ca to 28 weeks was improved by AGN, but not by D/DA. Nevertheless, AGN-and D/DA-treated mice had lower NE-Ca burden. Immunohistochemical and mRNA analyses of DLP showed AGN and D/DA exerted similar inhibition of TRAMP epithelial lesion progression and key cell cycle genes. Profiling of NE-Ca mRNA showed a greater scope of modulating angiogenesis, epithelial-mesenchymal-transition, invasion-metastasis and inflammation genes by AGN than D/DA. The data therefore support D/DA as probable active/prodrug compounds against TRAMP epithelial lesions, and they cooperate with non-pyranocoumarin compounds to fully express AGN efficacy against NE-Ca. PMID:26116406

Chemopreventive Effects of Korean Angelica versus Its Major Pyranocoumarins on Two Lineages of Transgenic Adenocarcinoma of Mouse Prostate Carcinogenesis.

PubMed

Tang, Su-Ni; Zhang, Jinhui; Wu, Wei; Jiang, Peixin; Puppala, Manohar; Zhang, Yong; Xing, Chengguo; Kim, Sung-Hoon; Jiang, Cheng; Lü, Junxuan

2015-09-01

We showed previously that daily gavage of Angelica gigas Nakai (AGN) root ethanolic extract starting 8 weeks of age inhibited growth of prostate epithelium and neuroendocrine carcinomas (NE-Ca) in the transgenic adenocarcinoma of mouse prostate (TRAMP) model. Because decursin (D) and its isomer decursinol angelate (DA) are major pyranocoumarins in AGN extract, we tested the hypothesis that D/DA represented active/prodrug compounds against TRAMP carcinogenesis. Three groups of male C57BL/6 TRAMP mice were gavage treated daily with excipient vehicle, AGN (5 mg per mouse), or equimolar D/DA (3 mg per mouse) from 8 weeks to 16 or 28 weeks of age. Measurement of plasma and NE-Ca D, DA, and their common metabolite decursinol indicated similar retention from AGN versus D/DA dosing. The growth of TRAMP dorsolateral prostate (DLP) in AGN- and D/DA-treated mice was inhibited by 66% and 61% at 16 weeks and by 67% and 72% at 28 weeks, respectively. Survival of mice bearing NE-Ca to 28 weeks was improved by AGN, but not by D/DA. Nevertheless, AGN- and D/DA-treated mice had lower NE-Ca burden. Immunohistochemical and mRNA analyses of DLP showed that AGN and D/DA exerted similar inhibition of TRAMP epithelial lesion progression and key cell-cycle genes. Profiling of NE-Ca mRNA showed a greater scope of modulating angiogenesis, epithelial-mesenchymal transition, invasion-metastasis, and inflammation genes by AGN than D/DA. The data therefore support D/DA as probable active/prodrug compounds against TRAMP epithelial lesions, and they cooperate with non-pyranocoumarin compounds to fully express AGN efficacy against NE-Ca. ©2015 American Association for Cancer Research.

Mechanical property, degradation rate, and bone cell growth of chitosan coated titanium influenced by degree of deacetylation of chitosan.

PubMed

Yuan, Youling; Chesnutt, Betsy M; Wright, Lee; Haggard, Warren O; Bumgardner, Joel D

2008-07-01

Chitosan has shown promise as a coating for dental/craniofacial and orthopaedic implants. However, the effects of degree of deacetylation (DDA) of chitosan on coating bond strength, degradation, and biological performance is not known. The aim of this project was to evaluate bonding, degradation, and bone cell growth on titanium coated with chitosans of different DDA and from different manufacturers. Three different chitosans, 80.6%, 81.7%, and 92.3% DDA were covalently bonded to titanium coupons via silane-glutaraldehyde molecules. Bond strengths were evaluated in mechanical tensile tests, and degradation, over 5 weeks, was conducted in cell culture medium with and without 100 microg/mL lysozyme. Cytocompatibility was evaluated for 10 days using UMR 106 osteoblastic cells. Results showed that mean chitosan coating bond strengths ranged from 2.2-3.8 MPa, and that there was minimal affect of DDA on coating bond strengths. The coatings exhibited little dissolution over 5 weeks in medium with or without lysozyme. However, the molecular weight (MW) of the chitosan coatings remaining on the titanium samples after 5 weeks decreased by 69-85% with the higher DDA chitosan coatings exhibiting less percent change in MW than the lower DDA materials. The growth of the UMR 106 osteoblast cells on the 81.7% DDA chitosan coating was lower on days 3 and 5, as compared with the other two coatings, but by day 10, there were no differences in growth among three coatings or to the uncoated titanium controls. Differences in growth were attributed to differences in manufacturer source material, though all coatings were judged to be osteocompatible in vitro. 2007 Wiley Periodicals, Inc.

First-Person Perspectives on Dual Diagnosis Anonymous (DDA): A Qualitative Study.

PubMed

Roush, Sean; Monica, Corbett; Carpenter-Song, Elizabeth; Drake, Robert E

2015-01-01

People with dually diagnosed substance abuse and mental illnesses often feel alienated at traditional 12-step meetings, yet they need the peer support provided by such groups. Dual Diagnosis Anonymous (DDA) is a peer-support program specifically for people with co-occurring disorders, which addresses many of the factors that members find alienating about traditional 12-step groups. This study aimed to elicit first-person perspectives on DDA. Occupational therapy students conducted 13 focus groups with 106 DDA members in three settings: the community (6 groups, n = 36), correctional facilities (5 groups, n = 53), and the state psychiatric hospital (2 groups, n = 17). Researchers inductively analyzed focus group transcripts to identify prominent themes. The vast majority of participants were between the ages of 18 and 49 (n = 87, 82.1%) and were non-Hispanic/White (n = 82, 77.4%). Most participants had been using substances for more than 10 years and had a diagnosed mental illness for more than 10 years. The most common substance of choice among those in the community and corrections setting was multiple substances, while those in the state hospital identified alcohol most often. Bipolar disorder was the most common mental illness diagnosis among participants in the state hospital, but depression and anxiety were the two most common diagnoses in the community and corrections participants. Four primary themes emerged from the qualitative analysis: (1) feeling accepted by others in the group, (2) understanding the interactive nature of dual disorders, (3) the open discussions in DDA meetings, and (4) a focus on hope and recovery from both illnesses. DDA provides a helpful alternative for individuals who do not feel comfortable at traditional 12-step groups due to their mental illness. Members value the acceptance, understanding, discussion, and hope in DDA meetings.

Evaluation of soluble fraction and enzymatic residual fraction of dilute dry acid, ethylenediamine, and steam explosion pretreated corn stover on the enzymatic hydrolysis of cellulose.

PubMed

Qin, Lei; Liu, Li; Li, Wen-Chao; Zhu, Jia-Qing; Li, Bing-Zhi; Yuan, Ying-Jin

2016-06-01

This study is aimed to examine the inhibition of soluble fraction (SF) and enzymatic residual fraction (ERF) in dry dilute acid (DDA), ethylenediamine (EDA) and steam explosion (SE) pretreated corn stover (CS) on the enzymatic digestibility of cellulose. SF of DDA, EDA and SE pretreated CS has high xylose, soluble lignin and xylo-oligomer content, respectively. SF of EDA pretreated CS leads to the highest inhibition, followed by SE and DDA pretreated CS. Inhibition of ERF of DDA and SE pretreated CS is higher than that of EDA pretreated CS. The inhibition degree (A0/A) of SF is 1.76 and 1.21 times to that of ERF for EDA and SE pretreated CS, respectively. The inhibition degree of ERF is 1.05 times to that of SF in DDA pretreated CS. The quantitative analysis shows that SF of EDA pretreated CS, SF and ERF of SE pretreated CS cause significant inhibition during enzymatic hydrolysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Drift dust acoustic soliton in the presence of field-aligned sheared flow and nonextensivity effects

NASA Astrophysics Data System (ADS)

Shah, AttaUllah; Mushtaq, A.; Farooq, M.; Khan, Aurangzeb; Aman-ur-Rehman

2018-05-01

Low frequency electrostatic dust drift acoustic (DDA) waves are studied in an inhomogeneous dust magnetoplasma comprised of dust components of opposite polarity, Boltzmannian ions, and nonextensive distributed electrons. The magnetic-field-aligned dust sheared flow drives the electrostatic drift waves in the presence of ions and electrons. The sheared flow decreases or increases the frequency of the DDA wave, mostly depending on its polarity. The conditions of instability for this mode, with nonextensivity and dust streaming effects, are discussed. The nonlinear dynamics is then investigated for the DDA wave by deriving the Koeteweg-deVries (KdV) nonlinear equation. The KdV equation yields an electrostatic structure in the form of a DDA soliton. The relevancy of the work to laboratory four component dusty plasmas is illustrated.

[Filing and reuse of research data].

PubMed

Osler, Merete; Bredahl, Lone; Ousager, Steen

2008-02-25

Currently several scientific journals only publish data from randomised clinical trials which are registered in a public database. Similar requirements on data sharing now follow grants from agencies such as the National Institute of Health. In Denmark the Health unit at the Danish Data Archive (DDA/Health) offers Danish researchers to keep their data for free on conditions that fulfil the above requirements. DDA/Health also passes on research data for reuse, and at present more than 300 studies are available in a database on sundhed.dda.dk.

Dielectric constant adjustments in computations of the scattering properties of solid ice crystals using the Generalized Multi-particle Mie method

NASA Astrophysics Data System (ADS)

Lu, Yinghui; Aydin, Kültegin; Clothiaux, Eugene E.; Verlinde, Johannes

2014-03-01

Ice crystal scattering properties at microwave radar wavelengths can be modeled with the Generalized Multi-particle Mie (GMM) method by decomposing an ice crystal into a cluster of tiny spheres composed of solid ice. In this decomposition the mass distribution of the tiny spheres in the cluster is no longer equivalent to that in the original ice crystal because of gaps between the tiny spheres. To compensate for the gaps in the cluster representation of an ice crystal in the GMM computation of crystal scattering properties, the Maxwell Garnett approximation is used to estimate what the dielectric function of the tiny spheres (i.e., the inclusions) in the cluster must be to make the cluster of tiny spheres with associated air gaps (i.e., the background matrix) dielectrically equivalent to the original solid ice crystal. Overall, compared with the T-matrix method for spheroids outside resonance regions this approach agrees to within mostly 0.3 dB (and often better) in the horizontal backscattering cross section σhh and the ratio of horizontal and vertical backscattering cross sections σhh/σvv, and 6% for the amplitude scattering matrix elements Re{S22-S11} and Im{S22} in the forward direction. For crystal sizes and wavelengths near resonances, where the scattering parameters are highly sensitive to the crystal shape, the differences are generally within 1.2 dB for σhh and σhh/σvv, 20% for Re{S22-S11} and 6% for Im{S22}. The Discrete Dipole Approximation (DDA) results for the same spheroids are generally closer than those of GMM to the T-matrix results. For hexagonal plates the differences between GMM and the DDA at a W-band wavelength (3.19 mm) are mostly within 0.6 dB for σhh, 1 dB for σhh/σvv, 11% for Re{S22-S11} and 12% for Im{S22}. For columns the differences are within 0.3 dB for σhh and σhh/σvv, 8% for Re{S22-S11} and 4% for Im{S22}. This method shows higher accuracy than an alternative method that artificially increases the thickness of ice plates to provide the same mass as the original ice crystal.

The physicochemical characterization and in vitro/in vivo evaluation of natural surfactants-based emulsions as vehicles for diclofenac diethylamine.

PubMed

Vucinić-Milanković, Nada; Savić, Snezana; Vuleta, Gordana; Vucinić, Slavica

2007-03-01

Two sugar-based emulsifiers, cetearyl alcohol & cetearyl glycoside and sorbitan stearate & sucrose cocoate, known as potential promoters of lamellar liquid crystals/gel phases, were investigated in order to formulate an optimal vehicle for amphiphilic drug - diclofenac diethylamine (DDA). Physico-chemical characterization and study of vehicle's physical stability were performed. Then, the in vitro DDA liberation profile, dependent on the mode of drug incorporation to the system, and the in vivo, short-term effects of chosen samples on skin parameters were examined. Droplets size distribution and rheological behavior indicated satisfying physical stability of both types of vehicles. Unexpectedly, the manner of DDA incorporation to the system had no significant influence on DDA release. In vivo study pointed to emulsion's favorable potential for skin hydration and barrier improvement, particularly in cetearyl glycoside-based vehicle.

Probing plasmon resonances of individual aluminum nanoparticles

NASA Astrophysics Data System (ADS)

Wei, Zhongxia; Mao, Peng; Cao, Lu; Song, Fengqi

2018-01-01

The plasmon resonances of individual aluminum nanoparticles are investigated by electron energy-loss spectroscopy (EELS) in scanning transmission electron microscope (STEM). Surface plasmon mode and bulk plasmon mode of Al nanoparticles are clearly characterized in the EEL spectra. Discrete dipole approximation (DDA) calculations show that as the particle diameter increases from 20 nm to 100 nm, the plasmon resonance shifts to lower energy and higher mode of surface plasmon arises when the diameter reaches 60 nm and larger.

MnO2 nanosheet mediated "DD-A" FRET binary probes for sensitive detection of intracellular mRNA.

PubMed

Ou, Min; Huang, Jin; Yang, Xiaohai; Quan, Ke; Yang, Yanjing; Xie, Nuli; Wang, Kemin

2017-01-01

The donor donor-acceptor (DD-A) FRET model has proven to have a higher FRET efficiency than donor-acceptor acceptor (D-AA), donor-acceptor (D-A), and donor donor-acceptor acceptor (DD-AA) FRET models. The in-tube and in-cell experiments clearly demonstrate that the "DD-A" FRET binary probes can indeed increase the FRET efficiency and provide higher imaging contrast, which is about one order of magnitude higher than the ordinary "D-A" model. Furthermore, MnO 2 nanosheets were employed to deliver these probes into living cells for intracellular TK1 mRNA detection because they can adsorb ssDNA probes, penetrate across the cell membrane and be reduced to Mn 2+ ions by intracellular GSH. The results indicated that the MnO 2 nanosheet mediated "DD-A" FRET binary probes are capable of sensitive and selective sensing gene expression and chemical-stimuli changes in gene expression levels in cancer cells. We believe that the MnO 2 nanosheet mediated "DD-A" FRET binary probes have the potential as a simple but powerful tool for basic research and clinical diagnosis.

Secondary Mineral Deposits and Evidence of Past Seismicity and Heating of the Proposed Repository Horizon at Yucca Mountain, Nevada

USGS Publications Warehouse

Whelan, Josheph F.

2004-01-01

The Drift Degradation Analysis (DDA) (BSC, 2003) for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada, describes model simulations of the effects of pre- and post-closure seismicity and waste-induced heating on emplacement drifts. Based on probabilistic seismic hazard analyses of the intensity and frequency of future seismic events in the region (CRWMS M&O, 1998), the DDA concludes that future seismicity will lead to substantial damage to emplacement drifts, particularly those in the lithophysal tuffs, where some simulations predict complete collapse of the drift walls. Secondary mineral studies conducted by the U.S. Geological Survey since 1995 indicate that secondary calcite and silica have been deposited in some fractures and lithophysal cavities in the unsaturated zone (UZ) at Yucca Mountain during at least the past 10 million years (m.y.), and probably since the tuffs cooled to less than 100?C. Tuff fragments, likely generated by past seismic activity, have commonly been incorporated into the secondary mineral depositional sequences. Preliminary observations indicate that seismic activity has generated few, if any, tuff fragments during the last 2 to 4 m.y., which may be inconsistent with the predictions of drift-wall collapse described in the DDA. Whether or not seismicity-induced tuff fragmentation occurring at centimeter to decimeter scales in the fracture and cavity openings relates directly to failure of tuff walls in the 5.5-m-diameter waste emplacement drifts, the deposits do provide a potential record of the spatial and temporal distribution of tuff fragments in the UZ. In addition, the preservation of weakly attached coatings and (or) delicate, upright blades of calcite in the secondary mineral deposits provides an upper limit for ground motion during the late stage of deposition that might be used as input to future DDA simulations. Finally, bleaching and alteration at a few of the secondary mineral sites indicate that they were subjected to heated gases at approximately the temperatures expected from waste emplacement. These deposits provide at least limited textural and mineralogic analogs for waste-induced, high-humidity thermal alteration of emplacement drift wall rocks.

Differential Die-Away Instrument: Report on Fuel Assembly Mock-up Measurements with Neutron Generator

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

Goodsell, Alison Victoria; Swinhoe, Martyn Thomas; Henzl, Vladimir

2014-09-18

Fresh fuel experiments for the differential die-away (DDA) project were performed using a DT neutron generator, a 15x15 PWR fuel assembly, and nine 3He detectors in a water tank inside of a shielded cell at Los Alamos National Laboratory (LANL). Eight different fuel enrichments were created using low enriched (LEU) and depleted uranium (DU) dioxide fuel rods. A list-mode data acquisition system recorded the time-dependent signal and analysis of the DDA signal die-away time was performed. The die-away time depended on the amount of fissile material in the fuel assembly and the position of the detector. These experiments were performedmore » in support of the spent nuclear fuel Next Generation Safeguards Initiative DDA project. Lessons learned from the fresh fuel DDA instrument experiments and simulations will provide useful information to the spent fuel project.« less

Outcomes of endo-radiological approach to management of bile leakage after right lobe living donor liver transplantation.

PubMed

Chok, Kenneth S H; Chan, Albert C Y; Sharr, William W; Cheung, Tan To; Fung, James Y Y; Chan, See Ching; Lo, Chung Mau

2016-01-01

Bile leakage is a major complication after right lobe living donor liver transplantation (RLDLT). It can result in significant morbidities and, occasionally, mortalities. Endo-radiology is a non-surgical means that has been used to manage this complication. This study reviews the outcomes of the endo-radiological approach to the management of bile leakage after RLDLT with duct-to-duct anastomosis (DDA) at a high-volume center. A retrospective study was conducted on all adult patients who received RLDLT at our center between January 2001 and December 2013. There were 496 RLDLTs performed during the study period. Only patients who had DDA as the only bile duct reconstruction method were included in the study. Twelve (3.7%) out of the 328 study subjects developed bile leakage after RLDLT. Six out of these 12 patients were successfully treated with the endo-radiological approach without the need for laparotomy. They had endoscopic retrograde cholangiography with stenting followed by percutaneous drainage of biloma. One of the 12 patients died from recurrence of hepatocellular carcinoma 37 months after transplantation. The remaining 11 patients are all alive. The endo-radiological approach should be the first-line management for bile leakage for selected patients with DDA as the bile duct reconstruction method. © 2015 Journal of Gastroenterology and Hepatology Foundation and Wiley Publishing Asia Pty Ltd.

Unique and facile solvothermal synthesis of mesoporous WO3 using a solid precursor and a surfactant template as a photoanode for visible-light-driven water oxidation

PubMed Central

2014-01-01

Mesoporous tungsten trioxide (WO3) was prepared from tungstic acid (H2WO4) as a tungsten precursor with dodecylamine (DDA) as a template to guide porosity of the nanostructure by a solvothermal technique. The WO3 sample (denoted as WO3-DDA) prepared with DDA was moulded on an electrode to yield efficient performance for visible-light-driven photoelectrochemical (PEC) water oxidation. Powder X-ray diffraction (XRD) data of the WO3-DDA sample calcined at 400°C indicate a crystalline framework of the mesoporous structure with disordered arrangement of pores. N2 physisorption studies show a Brunauer-Emmett-Teller (BET) surface area up to 57 m2 g-1 together with type IV isotherms and uniform distribution of a nanoscale pore size in the mesopore region. Scanning electron microscopy (SEM) images exhibit well-connected tiny spherical WO3 particles with a diameter of ca. 5 to 20 nm composing the mesoporous network. The WO3-DDA electrode generated photoanodic current density of 1.1 mA cm-2 at 1.0 V versus Ag/AgCl under visible light irradiation, which is about three times higher than that of the untemplated WO3. O2 (1.49 μmol; Faraday efficiency, 65.2%) was evolved during the 1-h photoelectrolysis for the WO3-DDA electrode under the conditions employed. The mesoporous electrode turned out to work more efficiently for visible-light-driven water oxidation relative to the untemplated WO3 electrode. PMID:25313301

Simultaneous binding to the tracking strand, displaced strand and the duplex of a DNA fork enhances unwinding by Dda helicase

PubMed Central

Aarattuthodiyil, Suja; Byrd, Alicia K.; Raney, Kevin D.

2014-01-01

Interactions between helicases and the tracking strand of a DNA substrate are well-characterized; however, the role of the displaced strand is a less understood characteristic of DNA unwinding. Dda helicase exhibited greater processivity when unwinding a DNA fork compared to a ss/ds DNA junction substrate. The lag phase in the unwinding progress curve was reduced for the forked DNA compared to the ss/ds junction. Fewer kinetic steps were required to unwind the fork compared to the ss/ds junction, suggesting that binding to the fork leads to disruption of the duplex. DNA footprinting confirmed that interaction of Dda with a fork leads to two base pairs being disrupted whereas no disruption of base pairing was observed with the ss/ds junction. Neutralization of the phosphodiester backbone resulted in a DNA-footprinting pattern similar to that observed with the ss/ds junction, consistent with disruption of the interaction between Dda and the displaced strand. Several basic residues in the 1A domain which were previously proposed to bind to the incoming duplex DNA were replaced with alanines, resulting in apparent loss of interaction with the duplex. Taken together, these results suggest that Dda interaction with the tracking strand, displaced strand and duplex coordinates DNA unwinding. PMID:25249618

T-matrix method in plasmonics: An overview

NASA Astrophysics Data System (ADS)

Khlebtsov, Nikolai G.

2013-07-01

Optical properties of isolated and coupled plasmonic nanoparticles (NPs) are of great interest for many applications in nanophotonics, nanobiotechnology, and nanomedicine owing to rapid progress in fabrication, characterization, and surface functionalization technologies. To simulate optical responses from plasmonic nanostructures, various electromagnetic analytical and numerical methods have been adapted, tested, and used during the past two decades. Currently, the most popular numerical techniques are those that do not suffer from geometrical and composition limitations, e.g., the discrete dipole approximation (DDA), the boundary (finite) element method (BEM, FEM), the finite difference time domain method (FDTDM), and others. However, the T-matrix method still has its own niche in plasmonic science because of its great numerical efficiency, especially for systems with randomly oriented particles and clusters. In this review, I consider the application of the T-matrix method to various plasmonic problems, including dipolar, multipolar, and anisotropic properties of metal NPs; sensing applications; surface enhanced Raman scattering; optics of 1D-3D nanoparticle assemblies; plasmonic particles and clusters near and on substrates; and manipulation of plasmonic NPs with laser tweezers.

Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer.

PubMed

Hoffman, Melissa A; Fang, Bin; Haura, Eric B; Rix, Uwe; Koomen, John M

2018-01-05

Recent developments in instrumentation and bioinformatics have led to new quantitative mass spectrometry platforms including LC-MS/MS with data-independent acquisition (DIA) and targeted analysis using parallel reaction monitoring mass spectrometry (LC-PRM), which provide alternatives to well-established methods, such as LC-MS/MS with data-dependent acquisition (DDA) and targeted analysis using multiple reaction monitoring mass spectrometry (LC-MRM). These tools have been used to identify signaling perturbations in lung cancers and other malignancies, supporting the development of effective kinase inhibitors and, more recently, providing insights into therapeutic resistance mechanisms and drug repurposing opportunities. However, detection of kinases in biological matrices can be challenging; therefore, activity-based protein profiling enrichment of ATP-utilizing proteins was selected as a test case for exploring the limits of detection of low-abundance analytes in complex biological samples. To examine the impact of different MS acquisition platforms, quantification of kinase ATP uptake following kinase inhibitor treatment was analyzed by four different methods: LC-MS/MS with DDA and DIA, LC-MRM, and LC-PRM. For discovery data sets, DIA increased the number of identified kinases by 21% and reduced missingness when compared with DDA. In this context, MRM and PRM were most effective at identifying global kinome responses to inhibitor treatment, highlighting the value of a priori target identification and manual evaluation of quantitative proteomics data sets. We compare results for a selected set of desthiobiotinylated peptides from PRM, MRM, and DIA and identify considerations for selecting a quantification method and postprocessing steps that should be used for each data acquisition strategy.

Formulation study of topically applied lotion: in vitro and in vivo evaluation.

PubMed

Hussain Shah, Syed Nisar; Hussain, Talib; Ullah Khan, Ikram; Asghar, Sajid; Shahzad, Yasser

2013-01-01

This article presents the development and evaluation of a new topical formulation of diclofenac diethylamine (DDA) as a locally applied analgesic lotion. To this end, the lotion formulations were formulated with equal volume of varying concentrations (1%, 2%, 3%, 4%; v/v) of permeation enhancers, namely propylene glycol (PG) and turpentine oil (TO). These lotions were subjected to physical studies (pH, viscosity, spreadability, homogeneity, and accelerated stability), in vitro permeation, in vivo animal studies and sensatory perception testing. In vitro permeation of DDA from lotion formulations was evaluated across polydimethylsiloxane membrane and rabbit skin using Franz cells. It was found that PG and TO content influenced the permeation of DDA across model membranes with the lotion containing 4% v/v PG and TO content showed maximum permeation enhancement of DDA. The flux values for L4 were 1.20±0.02 μg.cm(-2).min(-1) and 0.67 ± 0.02 μg.cm(-2).min(-1) for polydimethylsiloxane and rabbit skin, respectively. Flux values were significantly different (p < 0.05) from that of the control. The flux enhancement ratio of DDA from L4 was 31.6-fold and 4.8-fold for polydimethylsiloxane and rabbit skin, respectively. In the in vivo animal testing, lotion with 4% v/v enhancer content showed maximum anti-inflammatory and analgesic effect without inducing any irritation. Sensatory perception tests involving healthy volunteers rated the formulations between 3 and 4 (values ranging between -4 to +4, indicating a range of very bad to excellent, respectively). It was concluded that the DDA lotion containing 4% v/v PG and TO exhibit the best performance overall and that this specific formulation should be the basis for further clinical investigations.

Formulation in DDA-MPLA-TDB Liposome Enhances the Immunogenicity and Protective Efficacy of a DNA Vaccine against Mycobacterium tuberculosis Infection

PubMed Central

Tian, Maopeng; Zhou, Zijie; Tan, Songwei; Fan, Xionglin; Li, Longmeng; Ullah, Nadeem

2018-01-01

Despite the vaccine Mycobacterium bovis Bacillus Calmette–Guérin is used worldwide, tuberculosis (TB) remains the first killer among infectious diseases. An effective vaccine is urgently required. DNA vaccine has shown prophylactic as well as therapeutic effects against TB, while its weak immunogenicity hinders the application. As a strong inducer of Th1-biased immune response, DMT, consisting of dimethyldioctadecylammonium (DDA) and two pattern recognition receptor agonists monophosphoryl lipid A and trehalose 6,6′-dibehenate (TDB), was a newly developed liposomal adjuvant. To elucidate the action mechanism of DMT and improve immunological effects induced by DNA vaccine, a new recombinant eukaryotic expression plasmid pCMFO that secretes the fusion of four multistage antigens (Rv2875, Rv3044, Rv2073c, and Rv0577) of Mycobacterium tuberculosis was constructed. pCMFO/DDA and pCMFO/DMT complexes were then prepared and their physicochemical properties were analyzed. The immunogenicity and protection against M. tuberculosis infection in vaccinated C57BL/6 mice were compared. Formulation of DNA and two agonists into the DDA liposome decreased zeta potential but increased the stability of storage, which resulted in a slower and longer-lasting release of DNA from the DNA–DMT complex than the DNA–DDA liposome. Besides Th1-biased responses, pCMFO/DMT vaccinated mice elicited more significantly CFMO-specific IL2+ TCM cell responses in the spleen and provided an enhanced and persistent protection against M. tuberculosis aerosol infection, compared to pCMFO/DDA and pCMFO groups. Therefore, the adjuvant DMT can release DNA and agonists slowly, which might attribute to the improved protection of DMT adjuvanted vaccines. pCMFO/DMT, a very promising TB vaccine, warrants for further preclinical and clinical trials. PMID:29535714

Simulations of resonant Raman response in bundles of semiconductor carbon nanotubes

NASA Astrophysics Data System (ADS)

Roslyak, Oleksiy; Piryatinski, Andrei; Doorn, Stephen; Haroz, Erik; Telg, Hagen; Duque, Juan; Crochet, Jared; Simpson, J. R.; Hight Walker, A. R.; LANL Collaboration; Fordham Collaboration; NIST Collaboration

This work is motivated by an experimental study of resonant Raman spectroscopy under E22 excitation, which shows a new, sharp feature associated with bundling in (6,5) semiconductor carbon nanotubes. In order to provide an insight into the experimental data, we model Raman excitation spectra using our modified discrete dipole approximation (DDA) method. The calculations account for the exciton states polarized along and across the nanotube axis that are characterized by a small energy splitting. Strong polarization of the nanotubes forming the bundle results in the exciton state mixing whose spectroscopic signatures such as peaks positions, line widths, and depolarization ratio are calculated and compared to the experiment. Furthermore, the effects of the energy and structural disorder, as well as structural defects within the bundle are also examined and compared with the experimental data.

Simulations of resonant Raman response in bundles of semiconductor carbon nanotubes

NASA Astrophysics Data System (ADS)

Roslyak, Oleksiy; Doorn, Stephen; Haroz, Erik; Duque, Juan; Crochet, Jared; Telg, Hagen; Hight Walker, Angela; Simpson, Jeffrey; Piryatinski, Andrei

This work is motivated by experimental study of resonant Raman response associated with E22 exciton state coupled to G+-mode vibrational mode in bundles of (6,5) semiconductor carbon nanotubes. In order to provide an insight into experimental data, we model Raman excitation spectra using our modified discrete dipole approximation (DDA) method. The calculations account for the exciton states polarized along and across the nanotube axis that are characterized by a small energy splitting. Strong polarization of the nanotubes forming the bundle results in the exciton state mixing whose spectroscopic signatures such as peaks positions, line widths, and depolarization ratio are calculated and compared to the experiment. Furthermore, the effects of the energy and structural disorder, as well as structural defects within the bundle are also examined and compared with the experimental data.

Synthesis of highly-monodisperse spherical titania particles with diameters in the submicron range.

PubMed

Tanaka, Shunsuke; Nogami, Daisuke; Tsuda, Natsuki; Miyake, Yoshikazu

2009-06-15

Monodisperse titania spheres with particle diameters in the range 380-960 nm were successfully synthesized by hydrolysis and condensation of titanium tetraisopropoxide. The preparation was performed using ammonia or dodecylamine (DDA) as a catalyst in methanol/acetonitrile co-solvent at room temperature. The samples were characterized by powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, dynamic light scattering, and nitrogen sorption measurement. The use of DDA was effective for the synthesis of monodisperse titania spheres with low coefficient of variation. When the titania spherical particles with coefficient of variation less than 4% were obtained, the colloidal crystallization easily occurred simply by centrifugation. The monodispersity was maintained even after crystallization of the particles by high temperature annealing. The titania particles prepared using DDA had mesopores near the surface of the spheres, providing high pore accessibility to the sphere from the surface-air interface. The particle size uniformity and photocatalytic reactivity of the titania prepared using DDA were higher than those of the titania prepared using ammonia.

Detection of Nucleic Acids in Complex Samples via Magnetic Microbead-assisted Catalyzed Hairpin Assembly and "DD-A" FRET.

PubMed

Fang, Hongmei; Xie, Nuli; Ou, Min; Huang, Jin; Li, Wenshan; Wang, Qing; Liu, Jianbo; Yang, Xiaohai; Wang, Kemin

2018-05-21

Nucleic acids, as one kind of significant biomarkers, have attracted tremendous attention and exhibited immense value in fundamental studies and clinical applications. In this work, we developed a fluorescent assay for detecting nucleic acids in complex samples based on magnetic microbead (MMB)-assisted catalyzed hairpin assembly (CHA) and donor donor-acceptor fluorescence resonance energy transfer ("DD-A" FRET) signaling mechanism. Three types of DNA hairpin probes were employed in this system, including Capture, H1 (double FAM-labelled probe as FRET donor) and H2 (TAMRA-labelled probe as FRET acceptor). Firstly, the Captures immobilized on MMBs bound to targets in complex samples, and the sequences in Captures that could trigger catalyzed hairpin assembly (CHA) were exposed. Then, target-enriched MMBs complexes were separated and resuspended in the reaction buffer containing H1 and H2. As a result, numerous H1-H2 duplexes were formed during CHA process, inducing an obvious FRET signal. In contrast, CHA could not be trigger and the FRET signal was weak while target was absent. With the aid of magnetic separation and "DD-A" FRET, it was demonstrated to effectively eliminate errors from background interference. Importantly, this strategy realized amplified detection in buffer, with detection limits of microRNA as low as 34 pM. Furthermore, this method was successfully applied to detect microRNA-21 in serum and cell culture media. The results showed that our method has the potential for biomedical research and clinical application.

Effect of chitosan and coagulation factors on the wound repair phenotype of bioengineered blood clots.

PubMed

Hoemann, Caroline D; Marchand, Catherine; Rivard, Georges-Etienne; El-Gabalawy, Hani; Poubelle, Patrice E

2017-11-01

Controlling the blood clot phenotype in a surgically prepared wound is an evolving concept in scaffold-guided tissue engineering. Here, we investigated the effect of added chitosan (80% or 95% Degree of Deacetylation, DDA) or coagulation factors (recombinant human Factor VIIa, Tissue Factor, thrombin) on inflammatory factors released by blood clots. We tested the hypothesis that 80% DDA chitosan specifically enhances leukotriene B 4 (LTB 4 ) production. Human or rabbit whole blood was combined with isotonic chitosan solutions, coagulation factors, or lipopolysaccharide, cultured in vitro at 37°C, and after 4hours the serum was assayed for LTB 4 or inflammatory factors. Only 80% DDA chitosan clots produced around 15-fold more LTB 4 over other clots including 95% DDA chitosan clots. All serum contained high levels of PDGF-BB and CXCL8. Normal clots produced very low type I cytokines compared to lipopolysaccharide clots, with even lower IL-6 and IL-12 and more CCL3/CCL4 produced by chitosan clots. Coagulation factors had no detectable effect on clot phenotype. Conclusion In blood clots from healthy individuals, 80% DDA chitosan has a unique influence of inducing more LTB 4 , a potent neutrophil chemoattractant, with similar production of PDGF-BB and CXCL8, and lower type I cytokines, compared to whole blood clots. Copyright © 2017 Elsevier B.V. All rights reserved.

Yif1 associates with Yip1 on Golgi and regulates dendrite pruning in sensory neurons during Drosophila metamorphosis.

PubMed

Wang, Qiwei; Wang, Yan; Yu, Fengwei

2018-05-16

Pruning that selectively removes unnecessary neurites without causing neuronal death is essential for sculpting the mature nervous system during development. In Drosophila , ddaC sensory neurons specifically prune their larval dendrites with intact axons during metamorphosis. However, it remains unknown about an important role of ER-to-Golgi transport in dendrite pruning. Here, in a clonal screen we identified Yif1, an uncharacterized Drosophila homologue of Yif1p that is known as a regulator of ER-to-Golgi transport in yeast. We show that Yif1 is required for dendrite pruning of ddaC neurons but not for apoptosis of ddaF neurons. We further identified the Yif1-binding partner Yip1 which is also crucial for dendrite pruning. Yif1 forms a protein complex with Yip1 in S2 cells and ddaC neurons. Yip1 and Yif1 colocalize on ER/Golgi and are required for the integrity of Golgi apparatus and outposts. Moreover, we show that two GTPases Rab1 and Sar1, known to regulate ER-to-Golgi transport, are essential for dendrite pruning of ddaC neurons. Finally, our data reveal that ER-to-Golgi transport promotes endocytosis and downregulation of cell adhesion molecule Neuroglian and thereby dendrite pruning. © 2018. Published by The Company of Biologists Ltd.

Occurrences and fate of DDT principal isomers/metabolites, DDA, and o,p'-DDD enantiomers in fish, sediment and water at a DDT-impacted Superfund site.

PubMed

Garrison, A W; Cyterski, M; Roberts, K D; Burdette, D; Williamson, J; Avants, J K

2014-11-01

In the 1950s and 60s, discharges from a DDT manufacturing plant contaminated a tributary system of the Tennessee River near Huntsville, Alabama, USA. Regulatory action resulted in declaring the area a Superfund site which required remediation and extensive monitoring. Monitoring data collected from 1988, after remediation, through 2011 showed annual decreases approximating first-order decay in concentrations of total DDT and its six principal congeners (p,p'-DDT, o,p'-DDT, p,p'-DDD, o,p'-DDD, p,p'-DDE and o,p'-DDE) in filets from three species of fish. As of 2013, these concentrations met the regulatory requirements of 5 mg/kg or less total DDT for each fish tested. The enantiomer fractions (EF) of chiral o,p'-DDD in smallmouth buffalo and channel catfish were always below 0.5, indicating preferential decay of the (+)-enantiomer of this congener; this EF did not change significantly over 15 years. The often-neglected DDT metabolite p,p'-DDA was found at a concentration of about 20 μg/l in the ecosystem water. Published by Elsevier Ltd.

STM/STS Observation on Layered Nitride Superconductor α-(DDA)xTiNCl

NASA Astrophysics Data System (ADS)

Sugimoto, Akira; Ukita, Ryuichi; Ekino, Toshikazu; Zheng, Zhanfeng; Yamanaka, Shoji

2012-12-01

Scanning tunneling microscopy/spectroscopy (STM/STS) measurements on α-(DDA)xTiNCl (DDA=H2N-(CH2)10-NH2, Tc=16 K) have been carried out. The STM topography exhibits simple rectangular shaped atomic lattice with the periods of |a|=0.38 nm and |b| =0.33 nm. The averaged dI / dV spectrum shows the gap value of Δ ~ 9 meV, giving an unusual large gap ratio 2Δ/kBTc ≃ 13. The STS results show the bar-shaped domain structures along the b-axis direction in the bias range of V = +5 ~ +15 mV, demonstrating the possible existence of intercalated molecules.

A Report Generator Volume 2

DTIC Science & Technology

1988-01-01

her Nicholle) ( korsakoffs (proper-noun singlp neuter) korsakoffs korekoffs) (huntingtons (proper-noun sing3p neuter) huntingtons huntingtons...hemisphere)) (sub-class (value gerstmann- syndrome 1-constructional-dyspraxia reading-coup aphasia)) (type (value lobe)) (dda (value (location...class)) (dda (value (function damage memory) (location brain))) (importance (value 10)) (damage (value 8))) ( korsakoffs (super-class (value stm)) (sub

Seasonal resource conditions favor a summertime increase in North Pacific diatom-diazotroph associations.

PubMed

Follett, Christopher L; Dutkiewicz, Stephanie; Karl, David M; Inomura, Keisuke; Follows, Michael J

2018-06-01

In the North Pacific Subtropical Gyre (NPSG), an annual pulse of sinking organic carbon is observed at 4000 m between July and August, driven by large diatoms found in association with nitrogen fixing, heterocystous, cyanobacteria: Diatom-Diazotroph Associations (DDAs). Here we ask what drives the bloom of DDAs and present a simplified trait-based model of subtropical phototroph populations driven by observed, monthly averaged, environmental characteristics. The ratio of resource supply rates favors nitrogen fixation year round. The relative fitness of DDA traits is most competitive in early summer when the mixed layer is shallow, solar irradiance is high, and phosphorus and iron are relatively abundant. Later in the season, as light intensity drops and phosphorus is depleted, the traits of small unicellular diazotrophs become more competitive. The competitive transition happens in August, at the time when the DDA export event occurs. This seasonal dynamic is maintained when embedded in a more complex, global-scale, ecological model, and provides predictions for the extent of the North Pacific DDA bloom. The model provides a parsimonious and testable hypothesis for the stimulation of DDA blooms.

A Cullin1-Based SCF E3 Ubiquitin Ligase Targets the InR/PI3K/TOR Pathway to Regulate Neuronal Pruning

PubMed Central

Wong, Jack Jing Lin; Wang, Cheng; Zhang, Heng; Kirilly, Daniel; Wu, Chunlai; Liou, Yih-Cherng; Wang, Hongyan; Yu, Fengwei

2013-01-01

Pruning that selectively eliminates unnecessary axons/dendrites is crucial for sculpting the nervous system during development. During Drosophila metamorphosis, dendrite arborization neurons, ddaCs, selectively prune their larval dendrites in response to the steroid hormone ecdysone, whereas mushroom body γ neurons specifically eliminate their axon branches within dorsal and medial lobes. However, it is unknown which E3 ligase directs these two modes of pruning. Here, we identified a conserved SCF E3 ubiquitin ligase that plays a critical role in pruning of both ddaC dendrites and mushroom body γ axons. The SCF E3 ligase consists of four core components Cullin1/Roc1a/SkpA/Slimb and promotes ddaC dendrite pruning downstream of EcR-B1 and Sox14, but independently of Mical. Moreover, we demonstrate that the Cullin1-based E3 ligase facilitates ddaC dendrite pruning primarily through inactivation of the InR/PI3K/TOR pathway. We show that the F-box protein Slimb forms a complex with Akt, an activator of the InR/PI3K/TOR pathway, and promotes Akt ubiquitination. Activation of the InR/PI3K/TOR pathway is sufficient to inhibit ddaC dendrite pruning. Thus, our findings provide a novel link between the E3 ligase and the InR/PI3K/TOR pathway during dendrite pruning. PMID:24068890

In vitro release of diclofenac diethylamine from caprylocaproyl macrogolglycerides based microemulsions.

PubMed

Djordjevic, Ljiljana; Primorac, Marija; Stupar, Mirjana

2005-05-30

The purpose of the present study was to determine the influence of both formulation parameters and vehicle structure on in vitro release rate of amphiphilic drug diclofenac diethylamine (DDA) from microemulsion vehicles containing PEG-8 caprylic/capric glycerides (surfactant), polyglyceryl-6 dioleate (cosurfactant), isopropyl myristate and water. From the constructed pseudo-ternary phase diagram at surfactant-cosurfactant mass ratio (K(m) 1:1), the optimum oil-to-surfactant-cosurfactant mass ratio values (O/SC 0.67-1.64) for formulation of microemulsions with similar concentrations of hydrophilic, lipophilic and amphiphilic phases (balanced microemulsions) were found. The results of characterization experiments indicated bicontinuous or nonspherical water-continuous internal structure of the selected microemulsion vehicles. Low water/isopropyl myristate apparent partition coefficient for DDA as well as elevated electrical conductivity and apparent viscosity values for the investigated microemulsion formulations containing 1.16% (w/w) of DDA, suggested that the drug molecules was predominantly partitioned in the water phase and most likely selfaggregate and interact with interfacial film. Release of DDA from the selected water-continuous (W/O), oil-continuous (O/W) and balanced microemulsions was investigated using rotating paddle dissolution apparatus modified by addition of enhancer cell. A linear diffusion of DDA through regenerated cellulose membrane was observed for the W/O and O/W formulations with the low content of dispersed phase. Non-linearity of the drug release profile in the case of bicontinuous formulations was related to the more complex distribution of DDA including interactions between the drug and vehicle. The membrane flux value increases from 25.02 microgcm(-2)h(-1) (W/O microemulsion) to 117.94 microgcm(-2)h(-1) (O/W microemulsion) as the water phase concentration increases. Moreover, the obtained flux values for balanced microemulsions (29.38-63.70 microgcm(-2)h(-1)) suggested that bicontinuous microstructure hampers the release of the amphiphilic drug.

Localized surface plasmon resonance properties of Ag nanorod arrays on graphene-coated Au substrate

NASA Astrophysics Data System (ADS)

Mu, Haiwei; Lv, Jingwei; Liu, Chao; Sun, Tao; Chu, Paul K.; Zhang, Jingping

2017-11-01

Localized surface plasmon resonance (LSPR) on silver nanorod (SNR) arrays deposited on a graphene-coated Au substrate is investigated by the discrete dipole approximation (DDA) method. The resonance peaks in the extinction spectra of the SNR/graphene/Au structure show significantly different profiles as SNR height, and refractive index of the surrounding medium are varied gradually. Numerical simulation reveals that the shifts in the resonance peaks arise from hybridization of multiple plasmon modes as a result of coupling between the SNR arrays and graphene-coated Au substrate. Moreover, the LSPR modes blue-shifts from 800 nm to 700 nm when the thickness of the graphene layer in the metal nanoparticle (NP) - graphene hybrid nanostructure increases from 1 nm to 5 nm, which attribute to charge transfer between the graphene layer and SNR arrays. The results provide insights into metal NP-graphene hybrid nanostructures which have potential applications in plasmonics.

Comparison of Data Acquisition Strategies on Quadrupole Ion Trap Instrumentation for Shotgun Proteomics

PubMed Central

Canterbury, Jesse D.; Merrihew, Gennifer E.; Goodlett, David R.; MacCoss, Michael J.; Shaffer, Scott A.

2015-01-01

A common strategy in mass spectrometry analyses of complex protein mixtures is to digest the proteins to peptides, separate the peptides by microcapillary liquid chromatography and collect tandem mass spectra (MS/MS) on the eluting, complex peptide mixtures, a process commonly termed “shotgun proteomics”. For years, the most common way of data collection was via data-dependent acquisition (DDA), a process driven by an automated instrument control routine that directs MS/MS acquisition from the highest abundant signals to the lowest, a process often leaving lower abundant signals unanalyzed and therefore unidentified in the experiment. Advances in both instrumentation duty cycle and sensitivity allow DDA to probe to lower peptide abundance and therefore enable mapping proteomes to a more significant depth. An alternative to acquiring data by DDA is by data-independent acquisition (DIA), in which a specified range in m/z is fragmented without regard to prioritization of a precursor ion or its relative abundance in the mass spectrum. As a consequence, DIA acquisition potentially offers more comprehensive analysis of peptides than DDA and in principle can yield tandem mass spectra of all ionized molecules following their conversion to the gas-phase. In this work, we evaluate both DDA and DIA on three different linear ion trap instruments: an LTQ, an LTQ modified in-house with an electrodynamic ion funnel, and an LTQ-Velos. These instruments were chosen as they are representative of both older (LTQ) and newer (LTQ-Velos) ion trap designs i.e., linear ion trap and dual ion traps, respectively, and allow direct comparison of peptide identification using both DDA and DIA analysis. Further, as the LTQ-Velos has an improved “S-lens” ion guide in the high-pressure region to improve ion flux, we found it logical to determine if the former LTQ model could be leveraged by improving sensitivity by modifying with an electrodynamic ion guide of significantly different design to the S-lens. We find that the ion funnel enabled LTQ identifies more proteins in the insoluble fraction of a yeast lysate than the other two instruments in DIA mode, while the faster scanning LTQ-Velos performs better in DDA mode. We explore reasons for these results, including differences in scan speed, source ion optics, and linear ion trap design. PMID:25261218

Analysis of reflectance spectra of UV-absorbing aerosol scenes measured by SCIAMACHY

NASA Astrophysics Data System (ADS)

de Graaf, M.; Stammes, P.; Aben, E. A. A.

2007-01-01

Reflectance spectra from 280-1750 nm of typical desert dust aerosol (DDA) and biomass burning aerosol (BBA) scenes over oceans are presented, measured by the space-borne spectrometer Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY). DDA and BBA are both UV-absorbing aerosols, but their effect on the top-of-atmosphere (TOA) reflectance is different due to differences in the way mineral aerosols and smoke reflect and absorb radiation. Mineral aerosols are typically large, inert particles, found in warm, dry continental air. Smoke particles, on the other hand, are usually small particles, although often clustered, chemically very active and highly variable in composition. Moreover, BBA are hygroscopic and over oceans BBA were invariably found in cloudy scenes. TOA reflectance spectra of typical DDA and BBA scenes were analyzed, using radiative transfer simulations, and compared. The DDA spectrum was successfully simulated using a layer with a bimodal size distribution of mineral aerosols in a clear sky. The spectrum of the BBA scene, however, was determined by the interaction between cloud droplets and smoke particles, as is shown by simulations with a model of separate aerosol and cloud layers and models with internally and externally mixed aerosol/cloud layers. The occurrence of clouds in smoke scenes when sufficient water vapor is present usually prevents the detection of optical properties of these aerosol plumes using space-borne sensors. However, the Absorbing Aerosol Index (AAI), a UV color index, is not sensitive to scattering aerosols and clouds and can be used to detect these otherwise obscured aerosol plumes over clouds. The amount of absorption of radiation can be expressed using the absorption optical thickness. The absorption optical thickness in the DDA case was 0.42 (340 nm) and 0.14 (550 nm) for an aerosol layer of optical thickness 1.74 (550 nm). In the BBA case the absorption optical thickness was 0.18 (340 nm) and 0.10 (550 nm) for an aerosol/cloud layer of optical thickness 20.0 (550 nm). However, this reduced the cloud albedo by about 0.2 (340 nm) and 0.15 (550 nm). This method can be an important tool to estimate the global impact of absorption of shortwave radiation by smoke and industrial aerosols inside clouds.

Enhancement of a Virtual Reality Wheelchair Simulator to Include Qualitative and Quantitative Performance Metrics

ERIC Educational Resources Information Center

Harrison, C. S.; Grant, P. M.; Conway, B. A.

2010-01-01

The increasing importance of inclusive design and in particular accessibility guidelines established in the U.K. 1996 Disability Discrimination Act (DDA) has been a prime motivation for the work on wheelchair access, a subset of the DDA guidelines, described in this article. The development of these guidelines mirrors the long-standing provisions…

Technical advances in proteomics: new developments in data-independent acquisition.

PubMed

Hu, Alex; Noble, William S; Wolf-Yadlin, Alejandro

2016-01-01

The ultimate aim of proteomics is to fully identify and quantify the entire complement of proteins and post-translational modifications in biological samples of interest. For the last 15 years, liquid chromatography-tandem mass spectrometry (LC-MS/MS) in data-dependent acquisition (DDA) mode has been the standard for proteomics when sampling breadth and discovery were the main objectives; multiple reaction monitoring (MRM) LC-MS/MS has been the standard for targeted proteomics when precise quantification, reproducibility, and validation were the main objectives. Recently, improvements in mass spectrometer design and bioinformatics algorithms have resulted in the rediscovery and development of another sampling method: data-independent acquisition (DIA). DIA comprehensively and repeatedly samples every peptide in a protein digest, producing a complex set of mass spectra that is difficult to interpret without external spectral libraries. Currently, DIA approaches the identification breadth of DDA while achieving the reproducible quantification characteristic of MRM or its newest version, parallel reaction monitoring (PRM). In comparative de novo identification and quantification studies in human cell lysates, DIA identified up to 89% of the proteins detected in a comparable DDA experiment while providing reproducible quantification of over 85% of them. DIA analysis aided by spectral libraries derived from prior DIA experiments or auxiliary DDA data produces identification and quantification as reproducible and precise as that achieved by MRM/PRM, except on low‑abundance peptides that are obscured by stronger signals. DIA is still a work in progress toward the goal of sensitive, reproducible, and precise quantification without external spectral libraries. New software tools applied to DIA analysis have to deal with deconvolution of complex spectra as well as proper filtering of false positives and false negatives. However, the future outlook is positive, and various researchers are working on novel bioinformatics techniques to address these issues and increase the reproducibility, fidelity, and identification breadth of DIA.

SU-F-J-68: Deformable Dose Accumulation for Voxel-Based Dose Tracking of PTV Cold Spots for Adaptive Radiotherapy of the Head and Neck

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

Liu, C; Chetty, I; Mao, W

Purpose: To utilize deformable dose accumulation (DDA) to determine how cold spots within the PTV change over the course of fractionated head and neck (H&N) radiotherapy. Methods: Voxel-based dose was tracked using a DDA platform. The DDA process consisted of B-spline-based deformable image registration (DIR) and dose accumulation between planning CT’s and daily cone-beam CT’s for 10 H&N cancer patients. Cold spots within the PTV (regions receiving less than the prescription, 70 Gy) were contoured on the cumulative dose distribution. These cold spots were mapped to each fraction, starting from the first fraction to determine how they changed. Spatial correlationmore » between cold spot regions over each fraction, relative to the last fraction, was computed using the Jaccard index Jk (Mk,N), where N is the cold spot within the PTV at the end of the treatment, and Mk the same region for fraction k. Results: Figure 1 shows good spatial correlation between cold spots, and highlights expansion of the cold spot region over the course of treatment, as a result of setup uncertainties, and anatomical changes. Figure 2 shows a plot of Jk versus fraction number k averaged over 10 patients. This confirms the good spatial correlation between cold spots over the course of treatment. On average, Jk reaches ∼90% at fraction 22, suggesting that possible intervention (e.g. reoptimization) may mitigate the cold spot region. The cold spot, D99, averaged over 10 patients corresponded to a dose of ∼65 Gy, relative to the prescription dose of 70 Gy. Conclusion: DDA-based tracking provides spatial dose information, which can be used to monitor dose in different regions of the treatment plan, thereby enabling appropriate mid-treatment interventions. This work is supported in part by Varian Medical Systems, Palo Alto, CA.« less

Universal dimer–dimer scattering in lattice effective field theory

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

Elhatisari, Serdar; Katterjohn, Kris; Lee, Dean

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion–fermion scattering length a ff and zero-range interaction, all properties of the system scale proportionally with a ff. For the case with shallow bound dimers, we calculate the dimer–dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer–dimer scattering length a dd/a ff=0.618(30) and effective range r dd/a ff=-0.431(48). This result for the effective range is the first calculation with quantified and controlled systematic errors. Wemore » also benchmark our methods by computing the fermion–dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.« less

Universal dimer–dimer scattering in lattice effective field theory

DOE PAGES

Elhatisari, Serdar; Katterjohn, Kris; Lee, Dean; ...

2017-03-14

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion–fermion scattering length a ff and zero-range interaction, all properties of the system scale proportionally with a ff. For the case with shallow bound dimers, we calculate the dimer–dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer–dimer scattering length a dd/a ff=0.618(30) and effective range r dd/a ff=-0.431(48). This result for the effective range is the first calculation with quantified and controlled systematic errors. Wemore » also benchmark our methods by computing the fermion–dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.« less

voomDDA: discovery of diagnostic biomarkers and classification of RNA-seq data.

PubMed

Zararsiz, Gokmen; Goksuluk, Dincer; Klaus, Bernd; Korkmaz, Selcuk; Eldem, Vahap; Karabulut, Erdem; Ozturk, Ahmet

2017-01-01

RNA-Seq is a recent and efficient technique that uses the capabilities of next-generation sequencing technology for characterizing and quantifying transcriptomes. One important task using gene-expression data is to identify a small subset of genes that can be used to build diagnostic classifiers particularly for cancer diseases. Microarray based classifiers are not directly applicable to RNA-Seq data due to its discrete nature. Overdispersion is another problem that requires careful modeling of mean and variance relationship of the RNA-Seq data. In this study, we present voomDDA classifiers: variance modeling at the observational level (voom) extensions of the nearest shrunken centroids (NSC) and the diagonal discriminant classifiers. VoomNSC is one of these classifiers and brings voom and NSC approaches together for the purpose of gene-expression based classification. For this purpose, we propose weighted statistics and put these weighted statistics into the NSC algorithm. The VoomNSC is a sparse classifier that models the mean-variance relationship using the voom method and incorporates voom's precision weights into the NSC classifier via weighted statistics. A comprehensive simulation study was designed and four real datasets are used for performance assessment. The overall results indicate that voomNSC performs as the sparsest classifier. It also provides the most accurate results together with power-transformed Poisson linear discriminant analysis, rlog transformed support vector machines and random forests algorithms. In addition to prediction purposes, the voomNSC classifier can be used to identify the potential diagnostic biomarkers for a condition of interest. Through this work, statistical learning methods proposed for microarrays can be reused for RNA-Seq data. An interactive web application is freely available at http://www.biosoft.hacettepe.edu.tr/voomDDA/.

Prevention of infectious tick-borne diseases in humans: Comparative studies of the repellency of different dodecanoic acid-formulations against Ixodes ricinus ticks (Acari: Ixodidae)

PubMed Central

Schwantes, Ulrich; Dautel, Hans; Jung, Gerd

2008-01-01

Background Ticks of the species Ixodes ricinus are the main vectors of Lyme Borreliosis and Tick-borne Encephalitis – two rapidly emerging diseases in Europe. Repellents provide a practical means of protection against tick bites and can therefore minimize the transmission of tick-borne diseases. We developed and tested seven different dodecanoic acid (DDA)-formulations for their efficacy in repelling host-seeking nymphs of I. ricinus by laboratory screening. The ultimately selected formulation was then used for comparative investigations of commercially available tick repellents in humans. Methods Laboratory screening tests were performed using the Moving-object (MO) bioassay. All test formulations contained 10% of the naturally occurring active substance DDA and differed only in terms of the quantitative and qualitative composition of inactive ingredients and fragrances. The test procedure used in the human bioassays is a modification of an assay described by the U.S. Environmental Protection Agency and recommended for regulatory affairs. Repellency was computed using the equation: R = 100 - NR/N × 100, where NR is the number of non-repelled ticks, and N is the respective number of control ticks. All investigations were conducted in a controlled laboratory environment offering standardized test conditions. Results All test formulations strongly repelled nymphs of I. ricinus (100-81% protection) as shown by the MO-bioassay. The majority of ticks dropped off the treated surface of the heated rotating drum that served as the attractant (1 mg/cm2 repellent applied). The 10% DDA-based formulation, that produced the best results in laboratory screening, was as effective as the coconut oil-based reference product. The mean protection time of both preparations was generally similar and averaged 8 hours. Repellency investigations in humans showed that the most effective 10% DDA-based formulation (~1.67 mg/cm2 applied) strongly avoided the attachment of I. ricinus nymphs and adults for at least 6 hours. The test repellent always provided protection (83-63%) against I. ricinus nymphs equivalent to the natural coconut oil based reference product and a better protection (88-75%) against adult ticks than the synthetic Icaridin-containing reference repellent. Conclusion We found that the 10% DDA-based formulation (ContraZeck®) is an easily applied and very effective natural repellent against I. ricinus ticks. By reducing the human-vector contact the product minimises the risk of transmission of tick-borne diseases in humans. PMID:18397516

Do You Have a Disability--Yes or No? Or Is There a Better Way of Asking? Guidance on Disability Disclosure and Respecting Confidentiality

ERIC Educational Resources Information Center

Rose, Christine

2006-01-01

Many providers are keen to implement the requirements of the Disability Discrimination Act (DDA), seeing this as an opportunity to further improve the experience of disabled learners. However, the DDA Part 4 raises many issues about the ways in which education providers encourage a learner to disclose an impairment in order to make adjustments,…

Characteristics of deacetylation and depolymerization of β-chitin from jumbo squid (Dosidicus gigas) pens.

PubMed

Jung, Jooyeoun; Zhao, Yanyun

2011-09-27

This study evaluated the deacetylation characteristics of β-chitin from jumbo squid (Dosidicus gigas) pens by using strongly alkaline solutions of NaOH or KOH. Taguchi design was employed to investigate the effect of reagent concentration, temperature, time, and treatment step on molecular mass (MM) and degree of deacetylation (DDA) of the chitosan obtained. The optimal treatment conditions for achieving high MM and DDA of chitosan were identified as: 40% NaOH at 90°C for 6h with three separate steps (2h+2h+2h) or 50% NaOH at 90°C for 6h with one step, or 50% KOH at 90°C for 4h with three steps (1h+1h+2h) or 6h with one step. The most important factor affecting DDA and MM was temperature and time, respectively. The chitosan obtained was then further depolymerized by cellulase or lysozyme with cellulase giving a higher degradation ratio, lower relative viscosity, and a larger amount of reducing-end formations than that of lysozyme due to its higher susceptibility. This study demonstrated that jumbo squid pens are a good source of materials to produce β-chitosan with high DDA and a wide range of MM for various potential applications. Copyright © 2011 Elsevier Ltd. All rights reserved.

Novel freeze-dried DDA and TPGS liposomes are suitable for nasal delivery of vaccine.

PubMed

Yusuf, Helmy; Ali, Ahlam A; Orr, Natalie; Tunney, Michael M; McCarthy, Helen O; Kett, Vicky L

2017-11-25

There is a pressing need for effective needle-free vaccines that are stable enough for use in the developing world and stockpiling. The inclusion of the cationic lipid DDA and the PEG-containing moiety TPGS into liposomes has the potential to improve mucosal delivery. The aim of this study was to develop stable lyophilized cationic liposomes based on these materials suitable for nasal antigen delivery. Liposomes containing DDA and TPGS were developed. Size and zeta potential measurements, ex vivo, CLSM cell penetration study and cell viability investigations were made. Preliminary immunisation and stability studies using ovalbumin were performed. The liposomes exhibited suitable size and charge for permeation across nasal mucosa. DDA and TPGS increased tissue permeation in ex vivo studies and cell uptake with good cell viability. The liposomes improved immune response both locally and vaginally when compared to i.m administration or control liposomes delivered nasally. Additionally, the lyophilized products demonstrated good stability in terms of Tg, size and antigen retention. This study has shown that the novel liposomes have potential for development as a mucosal vaccine delivery system. Furthermore, the stability of the lyophilized liposomes offers potential additional benefits in terms of thermal stability over liquid formats. Copyright © 2017 Elsevier B.V. All rights reserved.

Fabrication and characterization of DTBP-crosslinked chitosan scaffolds for skin tissue engineering.

PubMed

Adekogbe, Iyabo; Ghanem, Amyl

2005-12-01

Chitosan, the deacetylated derivative of chitin, is a promising scaffold material for skin tissue engineering applications. It is biocompatible and biodegradable, and the degradation products are resorbable. However, the rapid degradation of chitosan and its low mechanical strength are concerns that may limit its use. In this study, chitosan with 80%, 90% and 100% degree of deacetylation (DDA) was crosslinked with dimethyl 3-3, dithio bis' propionimidate (DTBP) and compared to uncrosslinked scaffolds. The scaffolds were characterized with respect to important tissue engineering properties. The tensile strength of scaffolds made from 100% DDA chitosan was significantly higher than for scaffolds made from 80% and 90% DDA chitosan. Crosslinking of scaffolds with DTBP increased the tensile strength. Crosslinking with DTBP had no significant effect on water vapour transmission rate (WVTR) or water absorption but had significant effect on the pore size and porosity of the samples. All samples showed a WVTR and pore size distribution suitable for skin tissue engineering; however, the water absorption and porosity were lower than the optimal values for skin tissue engineering. The biodegradation rate of scaffolds crosslinked with DTBP and glutaraldehyde (GTA) were reduced while no significant effect was observed in biodegradation of the samples made from 100% DDA chitosan whether crosslinked or uncrosslinked after 24 days of degradation.

A qualitative analysis of the neutron population in fresh and spent fuel assemblies during simulated interrogation using the differential die-away technique

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

Tobin, Stephen J.; Lundkvist, Niklas; Goodsell, Alison V.

In this study, Monte Carlo simulations were performed for the differential die-away (DDA) technique to analyse the time-dependent behaviour of the neutron population in fresh and spent nuclear fuel assemblies as part of the Next Generation Safeguards Initiative Spent Fuel (NGSI-SF) Project. Simulations were performed to investigate both a possibly portable as well as a permanent DDA instrument. Taking advantage of a custom made modification to the MCNPX code, the variation in the neutron population, simultaneously in time and space, was examined. The motivation for this research was to improve the design of the DDA instrument, as it is bemore » ing considered for possible deployment at the Central Storage of Spent Nuclear Fuel and Encapsulation Plant in Sweden (Clab), as well as to assist in the interpretation of the both simulated and measured signals.« less

Hybrid data acquisition and processing strategies with increased throughput and selectivity: pSMART analysis for global qualitative and quantitative analysis.

PubMed

Prakash, Amol; Peterman, Scott; Ahmad, Shadab; Sarracino, David; Frewen, Barbara; Vogelsang, Maryann; Byram, Gregory; Krastins, Bryan; Vadali, Gouri; Lopez, Mary

2014-12-05

Data-dependent acquisition (DDA) and data-independent acquisition strategies (DIA) have both resulted in improved understanding of proteomics samples. Both strategies have advantages and disadvantages that are well-published, where DDA is typically applied for deep discovery and DIA may be used to create sample records. In this paper, we present a hybrid data acquisition and processing strategy (pSMART) that combines the strengths of both techniques and provides significant benefits for qualitative and quantitative peptide analysis. The performance of pSMART is compared to published DIA strategies in an experiment that allows the objective assessment of DIA performance with respect to interrogation of previously acquired MS data. The results of this experiment demonstrate that pSMART creates fewer decoy hits than a standard DIA strategy. Moreover, we show that pSMART is more selective, sensitive, and reproducible than either standard DIA or DDA strategies alone.

A qualitative analysis of the neutron population in fresh and spent fuel assemblies during simulated interrogation using the differential die-away technique

DOE PAGES

Tobin, Stephen J.; Lundkvist, Niklas; Goodsell, Alison V.; ...

2015-12-01

In this study, Monte Carlo simulations were performed for the differential die-away (DDA) technique to analyse the time-dependent behaviour of the neutron population in fresh and spent nuclear fuel assemblies as part of the Next Generation Safeguards Initiative Spent Fuel (NGSI-SF) Project. Simulations were performed to investigate both a possibly portable as well as a permanent DDA instrument. Taking advantage of a custom made modification to the MCNPX code, the variation in the neutron population, simultaneously in time and space, was examined. The motivation for this research was to improve the design of the DDA instrument, as it is bemore » ing considered for possible deployment at the Central Storage of Spent Nuclear Fuel and Encapsulation Plant in Sweden (Clab), as well as to assist in the interpretation of the both simulated and measured signals.« less

Infrared Extinction Performance of Randomly Oriented Microbial-Clustered Agglomerate Materials.

PubMed

Li, Le; Hu, Yihua; Gu, Youlin; Zhao, Xinying; Xu, Shilong; Yu, Lei; Zheng, Zhi Ming; Wang, Peng

2017-11-01

In this study, the spatial structure of randomly distributed clusters of fungi An0429 spores was simulated using a cluster aggregation (CCA) model, and the single scattering parameters of fungi An0429 spores were calculated using the discrete dipole approximation (DDA) method. The transmittance of 10.6 µm infrared (IR) light in the aggregated fungi An0429 spores swarm is simulated by using the Monte Carlo method. Several parameters that affect the transmittance of 10.6 µm IR light, such as the number and radius of original fungi An0429 spores, porosity of aggregated fungi An0429 spores, and density of aggregated fungi An0429 spores of the formation aerosol area were discussed. Finally, the transmittances of microbial materials with different qualities were measured in the dynamic test platform. The simulation results showed that the parameters analyzed were closely connected with the extinction performance of fungi An0429 spores. By controlling the value of the influencing factors, the transmittance could be lower than a certain threshold to meet the requirement of attenuation in application. In addition, the experimental results showed that the Monte Carlo method could well reflect the attenuation law of IR light in fungi An0429 spore agglomerates swarms.

High Ultraviolet Absorption in Colloidal Gallium Nanoparticles Prepared from Thermal Evaporation

PubMed Central

Bravo, Iria; Catalan-Gomez, Sergio; Vázquez, Luis; Lorenzo, Encarnación; Pau, Jose Luis

2017-01-01

New methods for the production of colloidal Ga nanoparticles (GaNPs) are introduced based on the evaporation of gallium on expendable aluminum zinc oxide (AZO) layer. The nanoparticles can be prepared in aqueous or organic solvents such as tetrahydrofuran in order to be used in different sensing applications. The particles had a quasi mono-modal distribution with diameters ranging from 10 nm to 80 nm, and their aggregation status depended on the solvent nature. Compared to common chemical synthesis, our method assures higher yield with the possibility of tailoring particles size by adjusting the deposition time. The GaNPs have been studied by spectrophotometry to obtain the absorption spectra. The colloidal solutions exhibit strong plasmonic absorption in the ultra violet (UV) region around 280 nm, whose width and intensity mainly depend on the nanoparticles dimensions and their aggregation state. With regard to the colloidal GaNPs flocculate behavior, the water solvent case has been investigated for different pH values, showing UV-visible absorption because of the formation of NPs clusters. Using discrete dipole approximation (DDA) method simulations, a close connection between the UV absorption and NPs with a diameter smaller than ~40 nm was observed. PMID:28684687

Surface plasmon resonance enhanced light absorption and wavelength tuneable in gold-coated iron oxide spherical nanoparticle

NASA Astrophysics Data System (ADS)

Dasri, Thananchai; Chingsungnoen, Artit

2018-06-01

Surface plasmon in nano-sized particles, such as gold, silver, copper and their composites, has recently attracted a great deal of attention due to its possible uses in many applications, especially in life sciences. It is desirable for application devices with a tenability of surface plasmon wavelength and optical properties enhancement. This article presents enhanced optical light absorption and tunable wavelength in gold-coated magnetite (Fe3O4@Au core-shell) nanoparticles embedded in water using the theoretical method of discrete dipole approximation (DDA). The absorption spectra in the wavelengths from 350 to 900 nm were found to be the spectra obtained from Fe3O4@Au core-shell nanoparticles, and when compared with pure Fe3O4 nanoparticles, the surface plasmon resonance can be enhanced and tuned over the entire visible spectrum (viz. 350-800 nm) of the electromagnetic spectrum by varying the Au shell thickness (2-5 nm). Similarly, the Faraday rotation spectra can also be obtained.

Differential Die-Away Instrument: Report on Benchmark Measurements and Comparison with Simulation for the Effects of Neutron Poisons

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

Goodsell, Alison Victoria; Swinhoe, Martyn Thomas; Henzl, Vladimir

2015-03-30

In this report, new experimental data and MCNPX simulation results of the differential die-away (DDA) instrument response to the presence of neutron absorbers are evaluated. In our previous fresh nuclear fuel experiments and simulations, no neutron absorbers or poisons were included in the fuel definition. These new results showcase the capability of the DDA instrument to acquire data from a system that better mimics spent nuclear fuel.

Non-Watson–Crick interactions between PNA and DNA inhibit the ATPase activity of bacteriophage T4 Dda helicase

PubMed Central

Tackett, Alan J.; Corey, David R.; Raney, Kevin D.

2002-01-01

Peptide nucleic acid (PNA) is a DNA mimic in which the nucleobases are linked by an N-(2-aminoethyl) glycine backbone. Here we report that PNA can interact with single-stranded DNA (ssDNA) in a non-sequence-specific fashion. We observed that a 15mer PNA inhibited the ssDNA-stimulated ATPase activity of a bacteriophage T4 helicase, Dda. Surprisingly, when a fluorescein-labeled 15mer PNA was used in binding studies no interaction was observed between PNA and Dda. However, fluorescence polarization did reveal non-sequence-specific interactions between PNA and ssDNA. Thus, the inhibition of ATPase activity of Dda appears to result from depletion of the available ssDNA due to non-Watson–Crick binding of PNA to ssDNA. Inhibition of the ssDNA-stimulated ATPase activity was observed for several PNAs of varying length and sequence. To study the basis for this phenomenon, we examined self-aggregation by PNAs. The 15mer PNA readily self-aggregates to the point of precipitation. Since PNAs are hydrophobic, they aggregate more than DNA or RNA, making the study of this phenomenon essential for understanding the properties of PNA. Non-sequence-specific interactions between PNA and ssDNA were observed at moderate concentrations of PNA, suggesting that such interactions should be considered for antisense and antigene applications. PMID:11842106

Poly(2-oxazoline)-Antibiotic Conjugates with Penicillins.

PubMed

Schmidt, Martin; Bast, Livia K; Lanfer, Franziska; Richter, Lena; Hennes, Elisabeth; Seymen, Rana; Krumm, Christian; Tiller, Joerg C

2017-09-20

The conjugation of antibiotics with polymers is rarely done, but it might be a promising alternative to low-molecular-weight derivatization. The two penicillins penicillin G (PenG) and penicillin V (PenV) were attached to the end groups of different water-soluble poly(2-oxazoline)s (POx) via their carboxylic acid function. This ester group was shown to be more stable against hydrolysis than the β-lactam ring of the penicillins. The conjugates are still antimicrobially active and up to 20 times more stable against penicillinase catalyzed hydrolysis. The antibiotic activity of the conjugates against Staphylococcus aureus in the presence of penicillinase is up to 350 times higher compared with the free antibiotics. Conjugates with a second antimicrobial function, a dodecyltrimethylammonium group (DDA-X), at the starting end of the PenG and PenV POx conjugates are more antimicrobially active than the conjugates without DDA-X and show high activity in the presence of penicillinase. For example, the conjugates DDA-X-PEtOx-PenG and DDA-X-PEtOx-PenV are 200 to 350 times more active against S. aureus in the presence of penicillinase and almost as effective as the penicillinase stable cloxacollin (Clox) under these conditions. These conjugates show even greater activity compared to cloxacollin without this enzyme present. Further, both conjugates kill Escherichia coli more effectively than PenG and Clox.

Enhanced Lipidome Coverage in Shotgun Analyses by using Gas-Phase Fractionation

NASA Astrophysics Data System (ADS)

Nazari, Milad; Muddiman, David C.

2016-11-01

A high resolving power shotgun lipidomics strategy using gas-phase fractionation and data-dependent acquisition (DDA) was applied toward comprehensive characterization of lipids in a hen ovarian tissue in an untargeted fashion. Using this approach, a total of 822 unique lipids across a diverse range of lipid categories and classes were identified based on their MS/MS fragmentation patterns. Classes of glycerophospholipids and glycerolipids, such as glycerophosphocholines (PC), glycerophosphoethanolamines (PE), and triglycerides (TG), are often the most abundant peaks observed in shotgun lipidomics analyses. These ions suppress the signal from low abundance ions and hinder the chances of characterizing low abundant lipids when DDA is used. These issues were circumvented by utilizing gas-phase fractionation, where DDA was performed on narrow m/z ranges instead of a broad m/z range. Employing gas-phase fractionation resulted in an increase in sensitivity by more than an order of magnitude in both positive- and negative-ion modes. Furthermore, the enhanced sensitivity increased the number of lipids identified by a factor of ≈4, and facilitated identification of low abundant lipids from classes such as cardiolipins that are often difficult to observe in untargeted shotgun analyses and require sample-specific preparation steps prior to analysis. This method serves as a resource for comprehensive profiling of lipids from many different categories and classes in an untargeted manner, as well as for targeted and quantitative analyses of individual lipids. Furthermore, this comprehensive analysis of the lipidome can serve as a species- and tissue-specific database for confident identification of other MS-based datasets, such as mass spectrometry imaging.

Optical properties of metal nanoparticles embedded in amorphous silicon analysed using discrete dipole approximation

NASA Astrophysics Data System (ADS)

Fantoni, Alessandro; Fernandes, Miguel; Vygranenko, Yuri; Vieira, Manuela; Oliveira-Silva, Rui P.; Prazeres, D. M. F.; Ribeiro, Ana P. C.; Alegria, Elisabete C. B. A.

2018-02-01

Localized surface plasmons (LSP) can be excited in metal nanoparticles (NP) by UV, visible or NIR light and are described as coherent oscillation of conduction electrons. Taking advantage of the tunable optical properties of NPs, we propose the realization of a plasmonic structure, based on the LSP interaction of NP with an embedding matrix of amorphous silicon. This study is directed to define the characteristics of NP and substrate necessary to the development of a LSP proteomics sensor that, once provided immobilized antibodies on its surface, will screen the concentration of selected antigens through the determination of LSPR spectra and peaks of light absorption. Metals of interest for NP composition are: Aluminium and Gold. Recent advances in nanoparticle production techniques allow almost full control over shapes and size, permitting full control over their optical and plasmonic properties and, above all, over their responsive spectra. Analytical solution is only possible for simple NP geometries, therefore our analysis, is realized recurring to computer simulation using the Discrete Dipole Approximation method (DDA). In this work we use the free software DDSCAT to study the optical properties of metal nanoparticles embedded in an amorphous silicon matrix, as a function of size, shape, aspect-ratio and metal type. Experimental measurements realized with arrays of metal nanoparticles are compared with the simulations.

Effect of Chitosan Properties on Immunoreactivity

PubMed Central

Ravindranathan, Sruthi; Koppolu, Bhanu prasanth; Smith, Sean G.; Zaharoff, David A.

2016-01-01

Chitosan is a widely investigated biopolymer in drug and gene delivery, tissue engineering and vaccine development. However, the immune response to chitosan is not clearly understood due to contradicting results in literature regarding its immunoreactivity. Thus, in this study, we analyzed effects of various biochemical properties, namely degree of deacetylation (DDA), viscosity/polymer length and endotoxin levels, on immune responses by antigen presenting cells (APCs). Chitosan solutions from various sources were treated with mouse and human APCs (macrophages and/or dendritic cells) and the amount of tumor necrosis factor-α (TNF-α) released by the cells was used as an indicator of immunoreactivity. Our results indicate that only endotoxin content and not DDA or viscosity influenced chitosan-induced immune responses. Our data also indicate that low endotoxin chitosan (<0.01 EU/mg) ranging from 20 to 600 cP and 80% to 97% DDA is essentially inert. This study emphasizes the need for more complete characterization and purification of chitosan in preclinical studies in order for this valuable biomaterial to achieve widespread clinical application. PMID:27187416

Live-Cell MicroRNA Imaging through MnO2 Nanosheet-Mediated DD-A Hybridization Chain Reaction.

PubMed

Ou, Min; Huang, Jin; Yang, Xiaohai; He, Xiaoxiao; Quan, Ke; Yang, Yanjing; Xie, Nuli; Li, Jing; Wang, Kemin

2018-01-18

Innovative techniques to visualize native microRNAs (miRNAs) in live cells can dramatically impact current research on the roles of miRNA in biology and medicine. Here, we report a novel approach for live-cell miRNA imaging using a biodegradable MnO 2 nanosheet-mediated DD-A FRET hybridization chain reaction (HCR). The MnO 2 nanosheets can adsorb DNA hairpin probes and deliver them into live cells. After entering cells, the MnO 2 nanosheets are degraded by cellular GSH. Then, the target miR-21 triggers cascaded assembly of the liberated hairpin probes into long dsDNA polymers, which brings each two FAMs (donor) and one TAMRA (acceptor) into close proximity to generate significantly enhanced DD-A FRET signals, which was discovered and proven by our previous report. We think the developed approach can serve as an excellent intracellular miRNAs detection tool, which promises the potential for biological and disease studies. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Allison PD 370-41 derivative turboprop engine. Final report, October 1978-February 1979

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

Stolp, P.

1979-02-01

This study developed data on Detroit Diesel Allison (DDA) common core derivative engines for use in Maritime Patrol Aircraft (MPA) concept formulation studies. The study included the screening of potential DDA turboprop/turboshaft engines and the preparations of technical and planning information on three of the most promising engine candidates plus an all new engine. Screening of DDA derivative candidates was performed utilizing an analytical MPA model using synthesized mission profiles to rank the candidates in terms of fuel consumption, weight, cost and complexity. The three turboprop engines selected for further study were as follows: a derivative of the unity sizemore » T701-AD-700 shaft power engine with rematched turbine (PD 370-37), and an advanced T701 turboprop derivative with 25:1 overall pressure ratio and a scaled ATEGG demonstrated compressor (PD 370-40), an advanced T701 turboprop derivative with 17.7:1 overall pressure ratio and a scaled ATEGG demonstrated compressor.« less

Swimming under the Influence: Effect of Algal Toxins on the Behavior of the Marine Ciliate Favella sp.

NASA Astrophysics Data System (ADS)

Sterling, A.; Echevarria, M. L.; Borrett, S. R.; Taylor, A. R.

2016-02-01

Although it is known that microzooplankton can regulate harmful algal bloom (HAB) dynamics through grazing of algae, the effects of HAB-related toxins on these micrograzers are unknown. Therefore I examined the effects of the algal toxins domoic acid (DA), brevetoxin (PbTx-2), and 2,4-trans,trans-decadienal (DDA) on the swimming behavior of the marine ciliate Favella sp. Neither DA nor PbTx-2 had a significant effect at the highest concentrations tested (800 nM and 400 nM respectively). However, about 50% of ciliates ceased swimming after 1 h exposure to 30 µM and 50 µM DDA and displayed significant behavioral changes within 5 min. Preliminary recovery experiments showed that up to 80% of the non-swimming ciliates were viable after 24 h, suggesting in these ciliates DDA did not induce programmed cell death. This work demonstrates that some, but not all, algal toxins may compromise the ability of microzooplankton to evade predators, capture prey, and regulate HABs.

RT DDA: A hybrid method for predicting the scattering properties by densely packed media

NASA Astrophysics Data System (ADS)

Ramezan Pour, B.; Mackowski, D.

2017-12-01

The most accurate approaches to predicting the scattering properties of particulate media are based on exact solutions of the Maxwell's equations (MEs), such as the T-matrix and discrete dipole methods. Applying these techniques for optically thick targets is challenging problem due to the large-scale computations and are usually substituted by phenomenological radiative transfer (RT) methods. On the other hand, the RT technique is of questionable validity in media with large particle packing densities. In recent works, we used numerically exact ME solvers to examine the effects of particle concentration on the polarized reflection properties of plane parallel random media. The simulations were performed for plane parallel layers of wavelength-sized spherical particles, and results were compared with RT predictions. We have shown that RTE results monotonically converge to the exact solution as the particle volume fraction becomes smaller and one can observe a nearly perfect fit for packing densities of 2%-5%. This study describes the hybrid technique composed of exact and numerical scalar RT methods. The exact methodology in this work is the plane parallel discrete dipole approximation whereas the numerical method is based on the adding and doubling method. This approach not only decreases the computational time owing to the RT method but also includes the interference and multiple scattering effects, so it may be applicable to large particle density conditions.

Chitosan-plasmid nanoparticle formulations for IM and SC delivery of recombinant FGF-2 and PDGF-BB or generation of antibodies.

PubMed

Jean, M; Smaoui, F; Lavertu, M; Méthot, S; Bouhdoud, L; Buschmann, M D; Merzouki, A

2009-09-01

Growth factor therapy is an emerging treatment modality that enhances tissue vascularization, promotes healing and regeneration and can treat a variety of inflammatory diseases. Both recombinant human growth factor proteins and their gene therapy are in human clinical trials to heal chronic wounds. As platelet-derived growth factor-bb (PDGF-BB) and fibroblast growth factor-2 (FGF-2) are known to induce chemotaxis, proliferation, differentiation, and matrix synthesis, we investigated a non-viral means for gene delivery of these factors using the cationic polysaccharide chitosan. Chitosan is a polymer of glucosamine and N-acetyl-glucosamine, in which the percentage of the residues that are glucosamine is called the degree of deacetylation (DDA). The purpose of this study was to express PDGF-BB and FGF-2 genes in mice using chitosan-plasmid DNA nanoparticles for the controlled delivery of genetic material in a specific, efficient, and safe manner. PDGF-BB and FGF-2 genes were amplified from human tissues by RT-PCR. To increase the secretion of FGF-2, a recombinant 4sFGF-2 was constructed bearing eight amino-acid residues of the signal peptide of FGF-4. PCR products were inserted into the expression vector pVax1 to produce recombinant plasmids pVax1-4sFGF2 and pVax1-PDGF-BB, which were then injected into BALB/C mice in the format of polyelectrolyte nanocomplexes with specific chitosans of controlled DDA and molecular weight, including 92-10, 80-10, and 80-80 (DDA-number average molecular weight or M(n) in kDa). ELISA assays on mice sera showed that recombinant FGF-2 and PDGF-BB proteins were efficiently expressed and specific antibodies to these proteins could be identified in sera of injected mice, but with levels that were clearly dependent on the specific chitosan used. We found high DDA low molecular weight chitosans to be efficient protein expressors with minimal or no generation of neutralizing antibodies, while lowering DDA resulted in greater antibody levels and correspondingly lower levels of detected recombinant protein. Histological analyses corroborated these results by revealing greater inflammatory infiltrates in lower DDA chitosans, which produced higher antibody titers. We found, in general, a more efficient delivery of the plasmids by subcutaneous than by intramuscular injection. Specific chitosan carriers were identified to be either efficient non-toxic therapeutic protein delivery systems or vectors for DNA vaccines.

Dodecylamine functionalization of carbon nanotubes to improve dispersion, thermal and mechanical properties of polyethylene based nanocomposites

NASA Astrophysics Data System (ADS)

Ferreira, F. V.; Franceschi, W.; Menezes, B. R. C.; Brito, F. S.; Lozano, K.; Coutinho, A. R.; Cividanes, L. S.; Thim, G. P.

2017-07-01

This study presents the effect of dodecylamine (DDA) functionalization of carbon nanotubes (CNTs) on the thermo-physical and mechanical properties of high-density polyethylene (HDPE) based composites. Here, we showed that the functionalization with DDA improved the dispersion of the CNTs as well as the interfacial adhesion with the HDPE matrix via non-covalent interactions. The better dispersion and interaction of CNT in the HDPE matrix as a function of the surface chemistry was correlated with the improved thermo-physical and mechanical properties.

Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection.

PubMed

Yang, Wenzhi; Zhang, Jingxian; Yao, Changliang; Qiu, Shi; Chen, Ming; Pan, Huiqin; Shi, Xiaojian; Wu, Wanying; Guo, Dean

2016-09-05

Xueshuantong Injection (XSTI), derived from Notoginseng total saponins, is a popular traditional Chinese medicine injection for the treatment of thrombus-resultant diseases. Current knowledge on its therapeutic basis is limited to five major saponins, whereas those minor ones are rarely investigated. We herein develop an offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis (offline 2D LC/QTOF-Fast DDA) approach to systematically characterize the saponins contained in XSTI. Key parameters affecting chromatographic separation in 2D LC (including stationary phase, mobile phase, column temperature, and gradient elution program) and the detection by QTOF MS (involving spray voltage, cone voltage, and ramp collision energy) were optimized in sequence. The configured offline 2D LC system showed an orthogonality of 0.84 and a theoretical peak capacity of 8976. Total saponins in XSTI were fractionated into eleven samples by the first-dimensional hydrophilic interaction chromatography, which were further analyzed by reversed-phase UHPLC/QTOF-Fast DDA in negative ion mode. The fragmentation features evidenced from 36 saponin reference standards, high-accuracy MS and Fast-DDA-MS(2) data, elemental composition (C<80, H<120, O<50), double-bond equivalent (DBE 5-15), and searching an in-house library of Panax notoginseng, were simultaneously utilized for structural elucidation. Ultimately, 148 saponins were separated and characterized, and 80 have not been isolated from P. notoginseng. An in-depth depiction of the chemical composition of XSTI was achieved. The results obtained would benefit better understanding of the therapeutic basis and significant promotion on the quality standard of XSTI as well as other homologous products. Copyright © 2016. Published by Elsevier B.V.

Development of a data independent acquisition mass spectrometry workflow to enable glycopeptide analysis without predefined glycan compositional knowledge.

PubMed

Lin, Chi-Hung; Krisp, Christoph; Packer, Nicolle H; Molloy, Mark P

2018-02-10

Glycoproteomics investigates glycan moieties in a site specific manner to reveal the functional roles of protein glycosylation. Identification of glycopeptides from data-dependent acquisition (DDA) relies on high quality MS/MS spectra of glycopeptide precursors and often requires manual validation to ensure confident assignments. In this study, we investigated pseudo-MRM (MRM-HR) and data-independent acquisition (DIA) as alternative acquisition strategies for glycopeptide analysis. These approaches allow data acquisition over the full MS/MS scan range allowing data re-analysis post-acquisition, without data re-acquisition. The advantage of MRM-HR over DDA for N-glycopeptide detection was demonstrated from targeted analysis of bovine fetuin where all three N-glycosylation sites were detected, which was not the case with DDA. To overcome the duty cycle limitation of MRM-HR acquisition needed for analysis of complex samples such as plasma we trialed DIA. This allowed development of a targeted DIA method to identify N-glycopeptides without pre-defined knowledge of the glycan composition, thus providing the potential to identify N-glycopeptides with unexpected structures. This workflow was demonstrated by detection of 59 N-glycosylation sites from 41 glycoproteins from a HILIC enriched human plasma tryptic digest. 21 glycoforms of IgG1 glycopeptides were identified including two truncated structures that are rarely reported. We developed a data-independent mass spectrometry workflow to identify specific glycopeptides from complex biological mixtures. The novelty is that this approach does not require glycan composition to be pre-defined, thereby allowing glycopeptides carrying unexpected glycans to be identified. This is demonstrated through the analysis of immunoglobulins in human plasma where we detected two IgG1 glycoforms that are rarely observed. Copyright © 2017 Elsevier B.V. All rights reserved.

A database of microwave and sub-millimetre ice particle single scattering properties

NASA Astrophysics Data System (ADS)

Ekelund, Robin; Eriksson, Patrick

2016-04-01

Ice crystal particles are today a large contributing factor as to why cold-type clouds such as cirrus remain a large uncertainty in global climate models and measurements. The reason for this is the complex and varied morphology in which ice particles appear, as compared to liquid droplets with an in general spheroidal shape, thus making the description of electromagnetic properties of ice particles more complicated. Single scattering properties of frozen hydrometers have traditionally been approximated by representing the particles as spheres using Mie theory. While such practices may work well in radio applications, where the size parameter of the particles is generally low, comparisons with measurements and simulations show that this assumption is insufficient when observing tropospheric cloud ice in the microwave or sub-millimetre regions. In order to assist the radiative transfer and remote sensing communities, a database of single scattering properties of semi-realistic particles is being produced. The data is being produced using DDA (Discrete Dipole Approximation) code which can treat arbitrarily shaped particles, and Tmatrix code for simpler shapes when found sufficiently accurate. The aim has been to mainly cover frequencies used by the upcoming ICI (Ice Cloud Imager) mission with launch in 2022. Examples of particles to be included are columns, plates, bullet rosettes, sector snowflakes and aggregates. The idea is to treat particles with good average optical properties with respect to the multitude of particles and aggregate types appearing in nature. The database will initially only cover macroscopically isotropic orientation, but will eventually also include horizontally aligned particles. Databases of DDA particles do already exist with varying accessibility. The goal of this database is to complement existing data. Regarding the distribution of the data, the plan is that the database shall be available in conjunction with the ARTS (Atmospheric Radiative Transfer Simulator) project.

Discrete Dipole Approximation Models of Crystalline Forsterite: Applications to Cometary Crystalline Silicates

NASA Astrophysics Data System (ADS)

Lindsay, Sean; Wooden, D. H.; Woodward, C. E.; Harker, D. E.; Kelley, M. S.; Murphy, J. R.

2012-10-01

In cometary comae, the crystalline silicate forsterite (Mg2SiO4) is the dominant crystalline component. Within the 8 - 40 micron spectral range, the crystal shape has been demonstrated to have a measurable effect on the crystalline features’ shape and peak wavelength locations. We present discrete dipole approximation (DDA) absorption efficiencies for a variety of forsterite grain shapes to demonstrate: a) that the 10, 11, 19, 23, and 33.5 micron resonances are sensitive to grain shape; b) spectral trends are associated with variations in crystallographic axial ratios; and c) that groups of similar grain shapes (shape classes) have distinct spectral features. These computations are performed using DDSCAT v7.0 run on the NASA Advanced Supercomputing (NAS) facility Pleiades. We generate synthetic spectral energy distribution (SED) fits to the Infrared Space Observatory (ISO) SWS spectra for the coma of comet C/1995 O1 (Hale-Bopp) at a heliocentric distance of 2.8 AU. Hale-Bopp is best fit by equant grain shapes whereas rounded grain shapes fit significantly poorer than crystals with sharp edges with well-defined faces. Moreover, crystals that are not significantly elongated along a crystallographic axis fit better. By comparison with Kobatake et al. (2008) condensation experiments and Takigawa et al. (2009) evaporation experiments, our analyses suggest that the forsterite crystals in the coma of Hale-Bopp predominantly are high temperature condensates. The laboratory experiments show that grain shape and grain formation temperature, and hence disk environment, are causally linked. Specifically, the Kobatake et al. (2008) condensation experiment reveals three shape classes associated with temperature: 1) ‘Bulky’ grains (1300 K < T < 1700 K), 2) ‘Platy’ grains (1000 K < T < 1300 K), and 3) columnar/needle grains (T < 1000 K). We construct DDA grain shape analogs to these shape classes to connect grain shapes to distinguishable spectral signatures and crystal formation environments.

A decision support system and rule-based algorithm to augment the human interpretation of the 12-lead electrocardiogram.

PubMed

Cairns, Andrew W; Bond, Raymond R; Finlay, Dewar D; Guldenring, Daniel; Badilini, Fabio; Libretti, Guido; Peace, Aaron J; Leslie, Stephen J

The 12-lead Electrocardiogram (ECG) has been used to detect cardiac abnormalities in the same format for more than 70years. However, due to the complex nature of 12-lead ECG interpretation, there is a significant cognitive workload required from the interpreter. This complexity in ECG interpretation often leads to errors in diagnosis and subsequent treatment. We have previously reported on the development of an ECG interpretation support system designed to augment the human interpretation process. This computerised decision support system has been named 'Interactive Progressive based Interpretation' (IPI). In this study, a decision support algorithm was built into the IPI system to suggest potential diagnoses based on the interpreter's annotations of the 12-lead ECG. We hypothesise semi-automatic interpretation using a digital assistant can be an optimal man-machine model for ECG interpretation. To improve interpretation accuracy and reduce missed co-abnormalities. The Differential Diagnoses Algorithm (DDA) was developed using web technologies where diagnostic ECG criteria are defined in an open storage format, Javascript Object Notation (JSON), which is queried using a rule-based reasoning algorithm to suggest diagnoses. To test our hypothesis, a counterbalanced trial was designed where subjects interpreted ECGs using the conventional approach and using the IPI+DDA approach. A total of 375 interpretations were collected. The IPI+DDA approach was shown to improve diagnostic accuracy by 8.7% (although not statistically significant, p-value=0.1852), the IPI+DDA suggested the correct interpretation more often than the human interpreter in 7/10 cases (varying statistical significance). Human interpretation accuracy increased to 70% when seven suggestions were generated. Although results were not found to be statistically significant, we found; 1) our decision support tool increased the number of correct interpretations, 2) the DDA algorithm suggested the correct interpretation more often than humans, and 3) as many as 7 computerised diagnostic suggestions augmented human decision making in ECG interpretation. Statistical significance may be achieved by expanding sample size. Copyright © 2017 Elsevier Inc. All rights reserved.

Effects of adrenolytic mitotane on drug elimination pathways assessed in vitro.

PubMed

Theile, Dirk; Haefeli, Walter Emil; Weiss, Johanna

2015-08-01

Mitotane (1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane, o,p'-DDD) represents one of the most active drugs for the treatment of adrenocortical carcinoma. Its metabolites 1,1-(o,p'-dichlorodiphenyl) acetic acid (=o,p'-DDA) and 1,1-(o,p'-dichlorodiphenyl)-2,2 dichloroethene (=o,p'-DDE) partly contribute to its pharmacological effects. Because mitotane has a narrow therapeutic index and causes pharmacokinetic drug-drug interactions, knowledge about these compounds' effects on drug metabolizing and transporting proteins is crucial. Using quantitative real-time polymerase chain reaction, our study confirmed the strong inducing effects of o,p'-DDD on mRNA expression of cytochrome P450 3A4 (CYP3A4, 30-fold) and demonstrated that other enzymes and transporters are also induced (e.g., CYP1A2, 8.4-fold; ABCG2 (encoding breast resistance cancer protein, BCRP), 4.2-fold; ABCB1 (encoding P-glycoprotein, P-gp) 3.4-fold). P-gp induction was confirmed at the protein level. o,p'-DDE revealed a similar induction profile, however, with less potency and o,p'-DDA had only minor effects. Reporter gene assays clearly confirmed o,p'-DDD to be a PXR activator and for the first time demonstrated that o,p'-DDE and o,p'-DDA also activate PXR albeit with lower potency. Using isolated, recombinant CYP enzymes, o,p'-DDD and o,p'-DDE were shown to strongly inhibit CYP2C19 (IC50 = 0.05 and 0.09 µM). o,p'-DDA exhibited only minor inhibitory effects. In addition, o,p'-DDD, o,p'-DDE, and o,p'-DDA are demonstrated to be neither substrates nor inhibitors of BCRP or P-gp function. In summary, o,p'-DDD and o,p'-DDE might be potential perpetrators in pharmacokinetic drug-drug interactions through induction of drug-metabolizing enzymes or drug transporters and by potent inhibition of CYP2C19. In tumors over-expressing BCRP or P-gp, o,p'-DDD and its metabolites should retain their efficacy due to a lack of substrate characteristics.

Moving Beyond Univariate Post-Hoc Testing in Exercise Science: A Primer on Descriptive Discriminate Analysis.

PubMed

Barton, Mitch; Yeatts, Paul E; Henson, Robin K; Martin, Scott B

2016-12-01

There has been a recent call to improve data reporting in kinesiology journals, including the appropriate use of univariate and multivariate analysis techniques. For example, a multivariate analysis of variance (MANOVA) with univariate post hocs and a Bonferroni correction is frequently used to investigate group differences on multiple dependent variables. However, this univariate approach decreases power, increases the risk for Type 1 error, and contradicts the rationale for conducting multivariate tests in the first place. The purpose of this study was to provide a user-friendly primer on conducting descriptive discriminant analysis (DDA), which is a post-hoc strategy to MANOVA that takes into account the complex relationships among multiple dependent variables. A real-world example using the Statistical Package for the Social Sciences syntax and data from 1,095 middle school students on their body composition and body image are provided to explain and interpret the results from DDA. While univariate post hocs increased the risk for Type 1 error to 76%, the DDA identified which dependent variables contributed to group differences and which groups were different from each other. For example, students in the very lean and Healthy Fitness Zone categories for body mass index experienced less pressure to lose weight, more satisfaction with their body, and higher physical self-concept than the Needs Improvement Zone groups. However, perceived pressure to gain weight did not contribute to group differences because it was a suppressor variable. Researchers are encouraged to use DDA when investigating group differences on multiple correlated dependent variables to determine which variables contributed to group differences.

Engineering of an inhalable DDA/TDB liposomal adjuvant: a quality-by-design approach towards optimization of the spray drying process.

PubMed

Ingvarsson, Pall Thor; Yang, Mingshi; Mulvad, Helle; Nielsen, Hanne Mørck; Rantanen, Jukka; Foged, Camilla

2013-11-01

The purpose of this study was to identify and optimize spray drying parameters of importance for the design of an inhalable powder formulation of a cationic liposomal adjuvant composed of dimethyldioctadecylammonium (DDA) bromide and trehalose-6,6'-dibehenate (TDB). A quality by design (QbD) approach was applied to identify and link critical process parameters (CPPs) of the spray drying process to critical quality attributes (CQAs) using risk assessment and design of experiments (DoE), followed by identification of an optimal operating space (OOS). A central composite face-centered design was carried out followed by multiple linear regression analysis. Four CQAs were identified; the mass median aerodynamic diameter (MMAD), the liposome stability (size) during processing, the moisture content and the yield. Five CPPs (drying airflow, feed flow rate, feedstock concentration, atomizing airflow and outlet temperature) were identified and tested in a systematic way. The MMAD and the yield were successfully modeled. For the liposome size stability, the ratio between the size after and before spray drying was modeled successfully. The model for the residual moisture content was poor, although, the moisture content was below 3% in the entire design space. Finally, the OOS was drafted from the constructed models for the spray drying of trehalose stabilized DDA/TDB liposomes. The QbD approach for the spray drying process should include a careful consideration of the quality target product profile. This approach implementing risk assessment and DoE was successfully applied to optimize the spray drying of an inhalable DDA/TDB liposomal adjuvant designed for pulmonary vaccination.

Pre-steady-state DNA unwinding by bacteriophage T4 Dda helicase reveals a monomeric molecular motor.

PubMed

Nanduri, Bindu; Byrd, Alicia K; Eoff, Robert L; Tackett, Alan J; Raney, Kevin D

2002-11-12

Helicases are molecular motor enzymes that unwind and translocate nucleic acids. One of the central questions regarding helicase activity is whether the process of coupling ATP hydrolysis to DNA unwinding requires an oligomeric form of the enzyme. We have applied a pre-steady-state kinetics approach to address this question with the bacteriophage T4 Dda helicase. If a helicase can function as a monomer, then the burst amplitude in the pre-steady state might be similar to the concentration of enzyme, whereas if the helicase required oligomerization, then the amplitude would be significantly less than the enzyme concentration. DNA unwinding of an oligonucleotide substrate was conducted by using a Kintek rapid quench-flow instrument. The substrate consisted of 12 bp adjacent to 12 nucleotides of single-stranded DNA. Dda (4 nM) was incubated with substrate (16 nM) in buffer, and the unwinding reaction was initiated by the addition of ATP (5 mM) and Mg(2+) (10 mM). The reaction was stopped by the addition of 400 mM EDTA. Product formation exhibited biphasic kinetics, and the data were fit to the equation for a single exponential followed by a steady state. The amplitude of the first phase was 3.5 +/- 0.2 nM, consistent with a monomeric helicase. The burst amplitude of product formation was measured over a range of enzyme and substrate concentrations and remained consistent with a functional monomer. Thus, Dda can rapidly unwind oligonucleotide substrates as a monomer, indicating that the functional molecular motor component of a helicase can reside within a single polypeptide.

Deep desulfurization by amphiphilic lanthanide-containing polyoxometalates in ionic-liquid emulsion systems under mild conditions.

PubMed

Xu, Junhua; Zhao, Shen; Ji, Yuanchun; Song, Yu-Fei

2013-01-07

Amphiphilic lanthanide-containing polyoxometalates (POMs) were prepared by surfactant encapsulation. Investigation of these lanthanide-containing POMs in oxidative desulfurization (ODS) showed that highly efficient deep desulfurization could be achieved in only 14 min with 100% conversion of dibenzothiophene under mild conditions by using (DDA)(9)LaW(10)/[omim]PF(6) (DDA=dimethyldioctadecylammonium, omim=1-octyl-3-methyl-imidazolium) in the presence of H(2) O(2) . Furthermore, deep desulfurization proceeds smoothly in model oil with an S content as low as 50 ppm. A scaled-up experiment in which the volume of model oil was increased from 5 to 1000 mL with S content of 1000 ppm indicated that about 99% sulfur removal can be achieved in 40 mins in an ionic-liquid emulsion system. To the best of our knowledge, the (DDA)(9)LaW(10)/[omim]PF(6) catalyst system with H(2)O(2) as oxidant is one of the most efficient desulfurization systems reported so far. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Endocytic pathways downregulate the L1-type cell adhesion molecule neuroglian to promote dendrite pruning in Drosophila.

PubMed

Zhang, Heng; Wang, Yan; Wong, Jack Jing Lin; Lim, Kah-Leong; Liou, Yih-Cherng; Wang, Hongyan; Yu, Fengwei

2014-08-25

Pruning of unnecessary axons and/or dendrites is crucial for maturation of the nervous system. However, little is known about cell adhesion molecules (CAMs) that control neuronal pruning. In Drosophila, dendritic arborization neurons, ddaCs, selectively prune their larval dendrites. Here, we report that Rab5/ESCRT-mediated endocytic pathways are critical for dendrite pruning. Loss of Rab5 or ESCRT function leads to robust accumulation of the L1-type CAM Neuroglian (Nrg) on enlarged endosomes in ddaC neurons. Nrg is localized on endosomes in wild-type ddaC neurons and downregulated prior to dendrite pruning. Overexpression of Nrg alone is sufficient to inhibit dendrite pruning, whereas removal of Nrg causes precocious dendrite pruning. Epistasis experiments indicate that Rab5 and ESCRT restrain the inhibitory role of Nrg during dendrite pruning. Thus, this study demonstrates the cell-surface molecule that controls dendrite pruning and defines an important mechanism whereby sensory neurons, via endolysosomal pathway, downregulate the cell-surface molecule to trigger dendrite pruning. Copyright © 2014 Elsevier Inc. All rights reserved.

Comparative study of alkylthiols and alkylamines for the phase transfer of gold nanoparticles from an aqueous phase to n-hexane.

PubMed

Li, Lingxiangyu; Leopold, Kerstin; Schuster, Michael

2013-05-01

An efficient ligand-assisted phase transfer method has been developed to transfer gold nanoparticles (Au-NPs, d: 5-25 nm) from an aqueous solution to n-hexane. Four different ligands, namely 1-dodecanethiol (DDT), 1-octadecanethiol (ODT), dodecylamine (DDA), and octadecylamine (ODA) were investigated, and DDT was found to be the most efficient ligand. It appears that the molar ratio of DDT to Au-NPs is a critical factor affecting the transfer efficiency, and 270-310 is found to be the optimum range, under which the transfer efficiency is >96%. Moreover, the DDT-assisted phase transfer can preserve the shape and size of the Au-NPs, which was confirmed by UV-vis spectra and transmission electron microscopy (TEM). Additionally, the transferred Au-NPs still can be well dispersed in the n-hexane phase and remain stable for at least 2 weeks. On the other hand, the ODT-, DDA-, and ODA-assisted phase transfer is fraught with problems either related to transfer efficiency or NPs aggregation. Overall, the DDT-assisted phase transfer of Au-NPs provides a rapid and efficient method to recover Au-NPs from an aqueous solution to n-hexane. Copyright © 2013 Elsevier Inc. All rights reserved.

[Certificate "Tropical and Travel Dermatology (DDA)": quality-assured medical education for dermatologists with a "migration perspective"].

PubMed

Elsner, P; Nenoff, P; Schliemann, S; Tittelbach, J; Reinel, D

2014-10-01

Under the conditions of economic pressure in the medical system and the DRG system for hospitals in Germany, so-called "uneconomic" services and fields of specialized dermatologic competence such as pediatric dermatology, trichology, occupational dermatology and tropical dermatology are increasingly being neglected. While hospitals tend to train fewer residents in these subspecialties, there is a demand for additional high-quality training opportunities that are certified by the German Dermatologic Academy (DDA). Tropical and travel-related skin diseases are more frequently observed in Germany which can be explained by the increased world-wide travel activities, but also by the international migration from developing countries into Europe. Furthermore, dermatologists trained in Germany are working more and more also internationally. Thus, they require knowledge and experience in tropical and travel-related dermatology. The certificate "Tropical and Travel Dermatology (DDA)" was developed and published in 2013 in a cooperation between the International Society for Dermatology in the Tropics in cooperation with the German Academy of Dermatology (DDA). It consists of 3 full day teaching modules (basic, additional and special seminar). The first seminar cycle in 2013/2014 showed a high demand from dermatologists in hospitals and private practices. While the basic and the special seminars were held in Germany, the additional seminar took place in cooperation with the Regional Dermatology Training Center (RDTC) in Moshi, Tanzania. Many attending dermatologists fulfilling the requirements for the new certificate have practiced in developing countries or plan to do so. In order to gain practical experience on the basis of the knowledge acquired in the qualifying seminars, the International Society for Dermatology in the Tropics supports dermatologists to find internships and work placements in dermatological units in developing countries.

A comparison of two follow-up analyses after multiple analysis of variance, analysis of variance, and descriptive discriminant analysis: A case study of the program effects on education-abroad programs

Treesearch

Alvin H. Yu; Garry Chick

2010-01-01

This study compared the utility of two different post-hoc tests after detecting significant differences within factors on multiple dependent variables using multivariate analysis of variance (MANOVA). We compared the univariate F test (the Scheffé method) to descriptive discriminant analysis (DDA) using an educational-tour survey of university study-...

Efficient Implementation of the Invariant Imbedding T-Matrix Method and the Separation of Variables Method Applied to Large Nonspherical Inhomogeneous Particles

NASA Technical Reports Server (NTRS)

Bi, Lei; Yang, Ping; Kattawar, George W.; Mishchenko, Michael I.

2012-01-01

Three terms, ''Waterman's T-matrix method'', ''extended boundary condition method (EBCM)'', and ''null field method'', have been interchangeable in the literature to indicate a method based on surface integral equations to calculate the T-matrix. Unlike the previous method, the invariant imbedding method (IIM) calculates the T-matrix by the use of a volume integral equation. In addition, the standard separation of variables method (SOV) can be applied to compute the T-matrix of a sphere centered at the origin of the coordinate system and having a maximal radius such that the sphere remains inscribed within a nonspherical particle. This study explores the feasibility of a numerical combination of the IIM and the SOV, hereafter referred to as the IIMþSOV method, for computing the single-scattering properties of nonspherical dielectric particles, which are, in general, inhomogeneous. The IIMþSOV method is shown to be capable of solving light-scattering problems for large nonspherical particles where the standard EBCM fails to converge. The IIMþSOV method is flexible and applicable to inhomogeneous particles and aggregated nonspherical particles (overlapped circumscribed spheres) representing a challenge to the standard superposition T-matrix method. The IIMþSOV computational program, developed in this study, is validated against EBCM simulated spheroid and cylinder cases with excellent numerical agreement (up to four decimal places). In addition, solutions for cylinders with large aspect ratios, inhomogeneous particles, and two-particle systems are compared with results from discrete dipole approximation (DDA) computations, and comparisons with the improved geometric-optics method (IGOM) are found to be quite encouraging.

Effect of acidified water glass on the flotation separation of scheelite from calcite using mixed cationic/anionic collectors

NASA Astrophysics Data System (ADS)

Dong, Liuyang; Jiao, Fen; Qin, Wenqing; Zhu, Hailing; Jia, Wenhao

2018-06-01

In this paper, the effect of acidified water glass (AWG) on the flotation separation of scheelite from calcite using mixed collector of dodecylamine (DDA) and sodium oleate (NaOL) was investigated. The flotation results show that AWG could selectively depress the flotation of calcite at pH 7. A series of mechanism experiments confirm that the chemisorption of AWG on calcite surface is more intense than scheelite. Although the chemisorption of NaOL on calcite surface is almost unaffected by the presence of AWG, the chemisorption of AWG hinders the adsorption of DDA on calcite surface.

Data processing has major impact on the outcome of quantitative label-free LC-MS analysis.

PubMed

Chawade, Aakash; Sandin, Marianne; Teleman, Johan; Malmström, Johan; Levander, Fredrik

2015-02-06

High-throughput multiplexed protein quantification using mass spectrometry is steadily increasing in popularity, with the two major techniques being data-dependent acquisition (DDA) and targeted acquisition using selected reaction monitoring (SRM). However, both techniques involve extensive data processing, which can be performed by a multitude of different software solutions. Analysis of quantitative LC-MS/MS data is mainly performed in three major steps: processing of raw data, normalization, and statistical analysis. To evaluate the impact of data processing steps, we developed two new benchmark data sets, one each for DDA and SRM, with samples consisting of a long-range dilution series of synthetic peptides spiked in a total cell protein digest. The generated data were processed by eight different software workflows and three postprocessing steps. The results show that the choice of the raw data processing software and the postprocessing steps play an important role in the final outcome. Also, the linear dynamic range of the DDA data could be extended by an order of magnitude through feature alignment and a charge state merging algorithm proposed here. Furthermore, the benchmark data sets are made publicly available for further benchmarking and software developments.

Imide modified epoxy matrix resins

NASA Technical Reports Server (NTRS)

Scola, D. A.

1982-01-01

Results of a program designed to develop tough imide modified epoxy (IME) resins cured by bisimide amine (BIA) hardeners are presented. State of the art epoxy resin, MY720, was used. Three aromatic bisimide amines and one aromatic aliphatic BIA were evaluated. BIA's derived from 6F anhydride (3,3 prime 4,4 prime-(hexafluoro isopropyl idene) bis (phthalic anhydride) and diamines, 3,3 prime-diam nodiphenyl sulfone (3,3 prime-DDS), 4,4 prime-diamino diphenyl sulfone (4,4 prime-DDS), 1.12-dodecane diamine (1,12-DDA) were used. BIA's were abbreviated 6F-3,3 prime-DDS, 6F-4,4 prime-DDS, 6F-3,3 prime-DDS-4,4 prime DDS, and 6F-3,3 prime-DDS-1,12-DDA corresponding to 6F anhydride and diamines mentioned. Epoxy resin and BIA's (MY720/6F-3,3 prime-DDS, MY720/6F-3,3 prime-DDS-4,4 prime-DDS, MY720/6F-3,3 prime-DDS-1,12-DDA and a 50:50 mixture of a BIA and parent diamine, MY720/6F-3,3 prime-DDS/3,3 prime-DDS, MY720/6F-3,3 prime-DDS-4,4 prime-DDS/3,3 prime-DDS, MY720/6F-3,3 prime-DDS-1,12-DDA/3,3 prime-DDS were studied to determine effect of structure and composition. Effect of the addition of two commercial epoxies, glyamine 200 and glyamine 100 on the properties of several formulations was evaluated. Bisimide amine cured epoxies were designated IME's (imide modified epoxy). Physical, thermal and mechanical properties of these resins were determined. Moisture absorption in boiling water exhibited by several of the IME's was considerably lower than the state of the art epoxies (from 3.2% for the control and state of the art to 2.0 wt% moisture absorption). Char yields are increased from 20% for control and state of the art epoxies to 40% for IME resins. Relative toughness characteristics of IME resins were measured by 10 deg off axis tensile tests of Celion 6000/IME composites. Results show that IME's containing 6F-3,3 prime-DDS or 6F-3,3 prime-DDS-1,12-DDA improved the "toughness" characteristics of composites by about 35% (tensile strength), about 35% (intralaminar shear strength), and about 78% (shear strain to failure) relative to the control composite.

Absorption Efficiencies of Forsterite. I: DDA Explorations in Grain Shape and Size

NASA Technical Reports Server (NTRS)

Lindsay, Sean S.; Wooden, Diane; Harker, David E.; Kelley, Michael S.; Woodward, Charles E.; Murphy, Jim R.

2013-01-01

We compute the absorption efficiency (Q(sub abs)) of forsterite using the discrete dipole approximation (DDA) in order to identify and describe what characteristics of crystal grain shape and size are important to the shape, peak location, and relative strength of spectral features in the 8 - 40 micron wavelength range. Using the DDSCAT code, we compute Q(sub abs) for non-spherical polyhedral grain shapes with a(sub eff) = 0.1 micron. The shape characteristics identified are: 1) elongation/reduction along one of three crystallographic axes; 2) asymmetry, such that all three crystallographic axes are of different lengths; and 3) the presence of crystalline faces that are not parallel to a specific crystallographic axis, e.g., non-rectangular prisms and (di)pyramids. Elongation/reduction dominates the locations and shapes of spectral features near 10, 11, 16, 23.5, 27, and 33.5 micron, while asymmetry and tips are secondary shape effects. Increasing grain sizes (0.1 - 1.0 micron) shifts the 10, 11 micron features systematically towards longer wavelengths and relative to the 11 micron feature increases the strengths and slightly broadens the longer wavelength features. Seven spectral shape classes are established for crystallographic a-, b-, and c-axes and include columnar and platelet shapes plus non-elongated or equant grain shapes. The spectral shape classes and the effects of grain size have practical application in identifying or excluding columnar, platelet or equant forsterite grain shapes in astrophysical environs. Identification of the shape characteristics of forsterite from 8 - 40 micron spectra provides a potential means to probe the temperatures at which forsterite formed.

Aconitum in traditional Chinese medicine: a valuable drug or an unpredictable risk?

PubMed

Singhuber, Judith; Zhu, Ming; Prinz, Sonja; Kopp, Brigitte

2009-10-29

Aconitum species have been used in China as an essential drug in Traditional Chinese Medicine (TCM) for 2000 years. Reviewing the clinical application of Aconitum, their pharmacological effects, toxicity and detoxifying measures, herb-herb interactions, clinical taboos, famous herbal formulas, traditional and current herbal processing methods based upon a wide range of literature investigations serve as a case study to explore the multidisciplinary implications of botanicals used in TCM. The toxicological risk of improper usage of Aconitum remains very high, especially in countries like China, India and Japan. The toxicity of Aconitum mainly derives from the diester diterpene alkaloids (DDAs) including aconitine (AC), mesaconitine (MA) and hypaconitine (HA). They can be decomposed into less or non-toxic derivatives through Chinese traditional processing methods (Paozhi), which play an essential role in detoxification. Using Paozhi, the three main forms of processed aconite -- yanfuzi, heishunpian and baifupian -- can be obtained (CPCommission, 2005). Moreover, some new processing techniques have been developed in China such as pressure-steaming. The current development of fingerprint assays, in particular HPLC, has set a good basis to conduct an appropriate quality control for TCM crude herbs and their ready-made products. Therefore, a stipulation for a maximum level of DDA content of Aconitum is highly desirable in order to guarantee the clinical safety and its low toxicity in decoctions. Newly developed HPLC methods have made the accurate and simultaneous determination and quantification of DDA content interesting.

Effect of Refractive Index of Substrate on Fabrication and Optical Properties of Hybrid Au-Ag Triangular Nanoparticle Arrays

PubMed Central

Liu, Jing; Chen, Yushan; Cai, Haoyuan; Chen, Xiaoyi; Li, Changwei; Yang, Cheng-Fu

2015-01-01

In this study, the nanosphere lithography (NSL) method was used to fabricate hybrid Au-Ag triangular periodic nanoparticle arrays. The Au-Ag triangular periodic arrays were grown on different substrates, and the effect of the refractive index of substrates on fabrication and optical properties was systematically investigated. At first, the optical spectrum was simulated by the discrete dipole approximation (DDA) numerical method as a function of refractive indexes of substrates and mediums. Simulation results showed that as the substrates had the refractive indexes of 1.43 (quartz) and 1.68 (SF5 glass), the nanoparticle arrays would have better refractive index sensitivity (RIS) and figure of merit (FOM). Simulation results also showed that the peak wavelength of the extinction spectra had a red shift when the medium’s refractive index n increased. The experimental results also demonstrated that when refractive indexes of substrates were 1.43 and 1.68, the nanoparticle arrays and substrate had better adhesive ability. Meanwhile, we found the nanoparticles formed a large-scale monolayer array with the hexagonally close-packed structure. Finally, the hybrid Au-Ag triangular nanoparticle arrays were fabricated on quartz and SF5 glass substrates and their experiment extinction spectra were compared with the simulated results.

Enhancement of a virtual reality wheelchair simulator to include qualitative and quantitative performance metrics.

PubMed

Harrison, C S; Grant, P M; Conway, B A

2010-01-01

The increasing importance of inclusive design and in particular accessibility guidelines established in the U.K. 1996 Disability Discrimination Act (DDA) has been a prime motivation for the work on wheelchair access, a subset of the DDA guidelines, described in this article. The development of these guidelines mirrors the long-standing provisions developed in the U.S. In order to raise awareness of these guidelines and in particular to give architects, building designers, and users a physical sensation of how a planned development could be experienced, a wheelchair virtual reality system was developed. This compares with conventional methods of measuring against drawings and comparing dimensions against building regulations, established in the U.K. under British standards. Features of this approach include the marriage of an electromechanical force-feedback system with high-quality immersive graphics as well as the potential ability to generate a physiological rating of buildings that do not yet exist. The provision of this sense of "feel" augments immersion within the virtual reality environment and also provides the basis from which both qualitative and quantitative measures of a building's access performance can be gained.

A Physical Model to Estimate Snowfall over Land using AMSU-B Observations

NASA Technical Reports Server (NTRS)

Kim, Min-Jeong; Weinman, J. A.; Olson, W. S.; Chang, D.-E.; Skofronick-Jackson, G.; Wang, J. R.

2008-01-01

In this study, we present an improved physical model to retrieve snowfall rate over land using brightness temperature observations from the National Oceanic and Atmospheric Administration's (NOAA) Advanced Microwave Sounder Unit-B (AMSU-B) at 89 GHz, 150 GHz, 183.3 +/- 1 GHz, 183.3 +/- 3 GHz, and 183.3 +/- 7 GHz. The retrieval model is applied to the New England blizzard of March 5, 2001 which deposited about 75 cm of snow over much of Vermont, New Hampshire, and northern New York. In this improved physical model, prior retrieval assumptions about snowflake shape, particle size distributions, environmental conditions, and optimization methodology have been updated. Here, single scattering parameters for snow particles are calculated with the Discrete-Dipole Approximation (DDA) method instead of assuming spherical shapes. Five different snow particle models (hexagonal columns, hexagonal plates, and three different kinds of aggregates) are considered. Snow particle size distributions are assumed to vary with air temperature and to follow aircraft measurements described by previous studies. Brightness temperatures at AMSU-B frequencies for the New England blizzard are calculated using these DDA calculated single scattering parameters and particle size distributions. The vertical profiles of pressure, temperature, relative humidity and hydrometeors are provided by MM5 model simulations. These profiles are treated as the a priori data base in the Bayesian retrieval algorithm. In algorithm applications to the blizzard data, calculated brightness temperatures associated with selected database profiles agree with AMSU-B observations to within about +/- 5 K at all five frequencies. Retrieved snowfall rates compare favorably with the near-concurrent National Weather Service (NWS) radar reflectivity measurements. The relationships between the NWS radar measured reflectivities Z(sub e) and retrieved snowfall rate R for a given snow particle model are derived by a histogram matching technique. All of these Z(sub e)-R relationships fall in the range of previously established Z(sub e)-R relationships for snowfall. This suggests that the current physical model developed in this study can reliably estimate the snowfall rate over land using the AMSU-B measured brightness temperatures.

The Disability Discrimination Act in the UK: helping or hindering employment among the disabled?

PubMed

Bell, David; Heitmueller, Axel

2009-03-01

The enactment of the Americans with Disabilities Act (ADA) in 1990 triggered a substantial academic debate about its consequences on employment rates of disabled people. In contrast, the employment provision of the 1996 Disability Discrimination Act (DDA) in Britain has received little attention. Exploiting both pooled and longitudinal data, this paper provides robust evidence that, similar to the ADA in the USA, the DDA has had no impact on the employment rate of disabled people or possibly worsened it. Possible reasons for this are higher uncertainty around litigation costs, low levels of general awareness about the Act among disabled people and employers, and a lack of financial support.

Sec71 functions as a GEF for the small GTPase Arf1 to govern dendrite pruning of Drosophila sensory neurons.

PubMed

Wang, Yan; Zhang, Heng; Shi, Meng; Liou, Yih-Cherng; Lu, Lei; Yu, Fengwei

2017-05-15

Pruning, whereby neurons eliminate their excess neurites, is central for the maturation of the nervous system. In Drosophila , sensory neurons, ddaCs, selectively prune their larval dendrites without affecting their axons during metamorphosis. However, it is unknown whether the secretory pathway plays a role in dendrite pruning. Here, we show that the small GTPase Arf1, an important regulator of the secretory pathway, is specifically required for dendrite pruning of ddaC/D/E sensory neurons but dispensable for apoptosis of ddaF neurons. Analyses of the GTP- and GDP-locked forms of Arf1 indicate that the cycling of Arf1 between GDP-bound and GTP-bound forms is essential for dendrite pruning. We further identified Sec71 as a guanine nucleotide exchange factor for Arf1 that preferentially interacts with its GDP-bound form. Like Arf1, Sec71 is also important for dendrite pruning, but not for apoptosis, of sensory neurons. Arf1 and Sec71 are interdependent for their localizations on Golgi. Finally, we show that the Sec71/Arf1-mediated trafficking process is a prerequisite for Rab5-dependent endocytosis to facilitate endocytosis and degradation of the cell-adhesion molecule Neuroglian (Nrg). © 2017. Published by The Company of Biologists Ltd.

High proton conductivity in the molecular interlayer of a polymer nanosheet multilayer film.

PubMed

Sato, Takuma; Hayasaka, Yuta; Mitsuishi, Masaya; Miyashita, Tokuji; Nagano, Shusaku; Matsui, Jun

2015-05-12

High proton conductivity was achieved in a polymer multilayer film with a well-defined two-dimensional lamella structure. The multilayer film was prepared by deposition of poly(N-dodecylacryamide-co-acrylic acid) (p(DDA/AA)) monolayers onto a solid substrate using the Langmuir-Blodgett technique. Grazing-angle incidence X-ray diffraction measurement of a 30-layer film of p(DDA/AA) showed strong diffraction peaks in the out-of-plane direction at 2θ = 2.26° and 4.50°, revealing that the multilayer film had a highly uniform layered structure with a monolayer thickness of 2.0 nm. The proton conductivity of the p(DDA/AA) multilayer film parallel to the layer plane direction was 0.051 S/cm at 60 °C and 98% relative humidity with a low activation energy of 0.35 eV, which is comparable to perfluorosulfonic acid membranes. The high conductivity and low activation energy resulted from the formation of uniform two-dimensional proton-conductive nanochannels in the hydrophilic regions of the multilayer film. The proton conductivity of the multilayer film perpendicular to the layer plane was determined to be 2.1 × 10(-13) S/cm. Therefore, the multilayer film showed large anisotropic conductivity with an anisotropic ratio of 2.4 × 10(11).

Missing Value Monitoring Enhances the Robustness in Proteomics Quantitation.

PubMed

Matafora, Vittoria; Corno, Andrea; Ciliberto, Andrea; Bachi, Angela

2017-04-07

In global proteomic analysis, it is estimated that proteins span from millions to less than 100 copies per cell. The challenge of protein quantitation by classic shotgun proteomic techniques relies on the presence of missing values in peptides belonging to low-abundance proteins that lowers intraruns reproducibility affecting postdata statistical analysis. Here, we present a new analytical workflow MvM (missing value monitoring) able to recover quantitation of missing values generated by shotgun analysis. In particular, we used confident data-dependent acquisition (DDA) quantitation only for proteins measured in all the runs, while we filled the missing values with data-independent acquisition analysis using the library previously generated in DDA. We analyzed cell cycle regulated proteins, as they are low abundance proteins with highly dynamic expression levels. Indeed, we found that cell cycle related proteins are the major components of the missing values-rich proteome. Using the MvM workflow, we doubled the number of robustly quantified cell cycle related proteins, and we reduced the number of missing values achieving robust quantitation for proteins over ∼50 molecules per cell. MvM allows lower quantification variance among replicates for low abundance proteins with respect to DDA analysis, which demonstrates the potential of this novel workflow to measure low abundance, dynamically regulated proteins.

Allison PD 370-42 advanced turboprop engine. Final report, October 1978-February 1979

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

Stolp, P.

1979-02-01

This study developed data on Detroit Diesel Allison (DDA) common core derivative engines for use in Maritime Patrol Aircraft (MPA) concept formulation studies. The study included the screening of potential DDA turboprop/turboshaft engines and the preparation of technical and planning information on three of the most promising engine candidates plus an all new engine. Screening of DDA Derivative candidates was performed utilizing an analytical MPA model using synthesized mission profiles to rank the candidates in terms of fuel consumption, weight, cost and complexity. The three turboprop engines selected for further study were as follows: a derivative of the unity sizemore » T701-AD-700 shaft power engine with rematched turbine (PD 370-37), an advanced T701 turboprop derivative with 25:1 overall pressure ratio and a scaled ATEGG demonstrated compressor (PD 370-40), an advanced T701 turboprop derivative with 17.7:1 overall pressure ratio and a scaled ATEGG demonstrated compressor (PD 370-4D al and experimental results attests to the accuracy of the assembled mechanism in its description of the homogenrt documents program highlights and research results for CY 1979 along with plans for the completion of program investigations. Postirradiation test data are presented for plateen chemical s.« less

Layer texture of hot-rolled BCC metals and its significance for stress-corrosion cracking of main gas pipelines

NASA Astrophysics Data System (ADS)

Perlovich, Yu. A.; Isaenkova, M. G.; Krymskaya, O. A.; Morozov, N. S.

2016-10-01

Based on data of X-ray texture analysis of hot-rolled BCC materials it was shown that the layerwise texture inhomogeneity of products is formed during their manufacturing. The effect can be explained by saturation with interstitial impurities of the surface layer, resulting in dynamical deformation aging (DDA). DDA prevents the dislocation slip under rolling and leads to an increase of lattice parameters in the external layer. The degree of arising inhomogeneity correlates with the tendency of hot-rolled sheets and obtained therefrom tubes to stress-corrosion cracking under exploitation, since internal layers have a compressive effect on external layers, and prevents opening of corrosion cracks at the tube surface.

Differential Die-Away Instrument: Report on Neutron Detector Recovery Performance and Proposed Improvements

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

Goodsell, Alison Victoria; Swinhoe, Martyn Thomas; Henzl, Vladimir

2014-09-22

Four helium-3 ( 3He) detector/preamplifier packages (¾”/KM200, DDSI/PDT-A111, DDA/PDT-A111, and DDA/PDT10A) were experimentally tested to determine the deadtime effects at different DT neutron generator output settings. At very high count rates, the ¾”/KM200 package performed best. At high count rates, the ¾”/KM200 and the DDSI/PDT-A111 packages performed very well, with the DDSI/PDT-A111 operating with slightly higher efficiency. All of the packages performed similarly at mid to low count rates. Proposed improvements include using a fast recovery LANL-made dual channel preamplifier, testing smaller diameter 3He tubes, and further investigating quench gases.

Relationship between the mobility of phosphocholine headgroups of liposomes and the hydrophobicity at the membrane interface: a characterization with spectrophotometric measurements.

PubMed

Shimanouchi, Toshinori; Sasaki, Masashi; Hiroiwa, Azusa; Yoshimoto, Noriko; Miyagawa, Kazuya; Umakoshi, Hiroshi; Kuboi, Ryoichi

2011-11-01

In this study, we investigated the dynamics of a membrane interface of liposomes prepared by eight zwitterionic phosphatidylcholines in terms of their headgroup mobility, with spectroscopic methods such as dielectric dispersion analysis (DDA), fluorescence spectroscopy. The DDA measurement is based on the response of the permanent dipole moment to a driving electric field and could give the information on the axial rotational Brownian motion of a headgroup with the permanent dipole moment. This motion depended on kinds of phospholipids, the diameter of the liposomes, and the temperature. The activation energy required to overcome the intermolecular force between headgroups of phospholipids depended on the strength of the interaction between headgroups such as hydrogen bonds and/or dipole-dipole interaction. Hydration at the phosphorous group of phospholipid and the molecular order of lipid membrane impaired the interaction between headgroups. Furthermore, the hydrophobicity of membrane surface increased parallel to the increase in headgroup mobility. It is, therefore, concluded that hydration of headgroup promoted its mobility to make the membrane surface hydrophobic. The lipid membrane in liquid crystalline phase or the lipid membrane with the larger curvature was more hydrophobic. Copyright © 2011 Elsevier B.V. All rights reserved.

Computation of scattering matrix elements of large and complex shaped absorbing particles with multilevel fast multipole algorithm

NASA Astrophysics Data System (ADS)

Wu, Yueqian; Yang, Minglin; Sheng, Xinqing; Ren, Kuan Fang

2015-05-01

Light scattering properties of absorbing particles, such as the mineral dusts, attract a wide attention due to its importance in geophysical and environment researches. Due to the absorbing effect, light scattering properties of particles with absorption differ from those without absorption. Simple shaped absorbing particles such as spheres and spheroids have been well studied with different methods but little work on large complex shaped particles has been reported. In this paper, the surface Integral Equation (SIE) with Multilevel Fast Multipole Algorithm (MLFMA) is applied to study scattering properties of large non-spherical absorbing particles. SIEs are carefully discretized with piecewise linear basis functions on triangle patches to model whole surface of the particle, hence computation resource needs increase much more slowly with the particle size parameter than the volume discretized methods. To improve further its capability, MLFMA is well parallelized with Message Passing Interface (MPI) on distributed memory computer platform. Without loss of generality, we choose the computation of scattering matrix elements of absorbing dust particles as an example. The comparison of the scattering matrix elements computed by our method and the discrete dipole approximation method (DDA) for an ellipsoid dust particle shows that the precision of our method is very good. The scattering matrix elements of large ellipsoid dusts with different aspect ratios and size parameters are computed. To show the capability of the presented algorithm for complex shaped particles, scattering by asymmetry Chebyshev particle with size parameter larger than 600 of complex refractive index m = 1.555 + 0.004 i and different orientations are studied.

A Method for Assessing the Quality of Model-Based Estimates of Ground Temperature and Atmospheric Moisture Using Satellite Data

NASA Technical Reports Server (NTRS)

Wu, Man Li C.; Schubert, Siegfried; Lin, Ching I.; Stajner, Ivanka; Einaudi, Franco (Technical Monitor)

2000-01-01

A method is developed for validating model-based estimates of atmospheric moisture and ground temperature using satellite data. The approach relates errors in estimates of clear-sky longwave fluxes at the top of the Earth-atmosphere system to errors in geophysical parameters. The fluxes include clear-sky outgoing longwave radiation (CLR) and radiative flux in the window region between 8 and 12 microns (RadWn). The approach capitalizes on the availability of satellite estimates of CLR and RadWn and other auxiliary satellite data, and multiple global four-dimensional data assimilation (4-DDA) products. The basic methodology employs off-line forward radiative transfer calculations to generate synthetic clear-sky longwave fluxes from two different 4-DDA data sets. Simple linear regression is used to relate the clear-sky longwave flux discrepancies to discrepancies in ground temperature ((delta)T(sub g)) and broad-layer integrated atmospheric precipitable water ((delta)pw). The slopes of the regression lines define sensitivity parameters which can be exploited to help interpret mismatches between satellite observations and model-based estimates of clear-sky longwave fluxes. For illustration we analyze the discrepancies in the clear-sky longwave fluxes between an early implementation of the Goddard Earth Observing System Data Assimilation System (GEOS2) and a recent operational version of the European Centre for Medium-Range Weather Forecasts data assimilation system. The analysis of the synthetic clear-sky flux data shows that simple linear regression employing (delta)T(sub g)) and broad layer (delta)pw provides a good approximation to the full radiative transfer calculations, typically explaining more thin 90% of the 6 hourly variance in the flux differences. These simple regression relations can be inverted to "retrieve" the errors in the geophysical parameters, Uncertainties (normalized by standard deviation) in the monthly mean retrieved parameters range from 7% for (delta)T(sub g) to approx. 20% for the lower tropospheric moisture between 500 hPa and surface. The regression relationships developed from the synthetic flux data, together with CLR and RadWn observed with the Clouds and Earth Radiant Energy System instrument, ire used to assess the quality of the GEOS2 T(sub g) and pw. Results showed that the GEOS2 T(sub g) is too cold over land, and pw in upper layers is too high over the tropical oceans and too low in the lower atmosphere.

Engineering of a novel adjuvant based on lipid-polymer hybrid nanoparticles: A quality-by-design approach.

PubMed

Rose, Fabrice; Wern, Jeanette Erbo; Ingvarsson, Pall Thor; van de Weert, Marco; Andersen, Peter; Follmann, Frank; Foged, Camilla

2015-07-28

The purpose of this study was to design a novel and versatile adjuvant intended for mucosal vaccination based on biodegradable poly(DL-lactic-co-glycolic acid) (PLGA) nanoparticles (NPs) modified with the cationic surfactant dimethyldioctadecylammonium (DDA) bromide and the immunopotentiator trehalose-6,6'-dibehenate (TDB) (CAF01) to tailor humoral and cellular immunity characterized by antibodies and Th1/Th17 responses. Such responses are important for the protection against diseases caused by intracellular bacteria such as Chlamydia trachomatis and Mycobacterium tuberculosis. The hybrid NPs were engineered using an oil-in-water single emulsion method and a quality-by-design approach was adopted to define the optimal operating space (OOS). Four critical process parameters (CPPs) were identified, including the acetone concentration in the water phase, the stabilizer [polyvinylalcohol (PVA)] concentration, the lipid-to-total solid ratio, and the total concentration. The CPPs were linked to critical quality attributes consisting of the particle size, polydispersity index (PDI), zeta-potential, thermotropic phase behavior, yield and stability. A central composite face-centered design was performed followed by multiple linear regression analysis. The size, PDI, enthalpy of the phase transition and yield were successfully modeled, whereas the models for the zeta-potential and the stability were poor. Cryo-transmission electron microscopy revealed that the main structural effect on the nanoparticle architecture is caused by the use of PVA, and two different morphologies were identified: i) A PLGA core coated with one or several concentric lipid bilayers, and ii) a PLGA nanoshell encapsulating lipid membrane structures. The optimal formulation, identified from the OOS, was evaluated in vivo. The hybrid NPs induced antibody and Th1/Th17 immune responses that were similar in quality and magnitude to the response induced by DDA/TDB liposomes, showing that the adjuvant properties of DDA/TDB are maintained in the PLGA hybrid matrix. This study demonstrates the complexity of formulation design for the engineering of a hybrid lipid-polymer nanoparticle adjuvant. Copyright © 2015 Elsevier B.V. All rights reserved.

Formulation of a mmaA4 Gene Deletion Mutant of Mycobacterium bovis BCG in Cationic Liposomes Significantly Enhances Protection against Tuberculosis

PubMed Central

Derrick, Steven C.; Dao, Dee; Yang, Amy; Kolibab, Kris; Jacobs, William R.; Morris, Sheldon L.

2012-01-01

A new vaccination strategy is urgently needed for improved control of the global tuberculosis (TB) epidemic. Using a mouse aerosol Mycobacterium tuberculosis challenge model, we investigated the protective efficacy of a mmaA4 gene deletion mutant of Mycobacterium bovis BCG (ΔmmaA4BCG) formulated in dimethyl dioctadecyl ammonium bromide (DDA) – D(+) trehalose 6,6 dibenenate (TDB) (DDA/TDB) adjuvant. In previous studies, deletion of the mmaA4 gene was shown to reduce the suppression of IL-12 production often seen after mycobacterial infections. While the non-adjuvanted ΔmmaA4BCG strain did not protect mice substantially better than conventional BCG against a tuberculous challenge in four protection experiments, the protective responses induced by the ΔmmaA4BCG vaccine formulated in DDA/TDB adjuvant was consistently increased relative to nonadjuvanted BCG controls. Furthermore, the ΔmmaA4BCG-DDA/TDB vaccine induced significantly higher frequencies of multifunctional (MFT) CD4 T cells expressing both IFNγ and TNFα (double positive) or IFNγ, TNFα and IL-2 (triple positive) than CD4 T cells derived from mice vaccinated with BCG. These MFT cells were characterized by having higher IFNγ and TNFα median fluorescence intensity (MFI) values than monofunctional CD4 T cells. Interestingly, both BCG/adjuvant and ΔmmaA4BCG/adjuvant formulations induced significantly higher frequencies of CD4 T cells expressing TNFα and IL-2 than nonadjuvanted BCG or ΔmmaA4BCG vaccines indicating that BCG/adjuvant mixtures may be more effective at inducing central memory T cells. Importantly, when either conventional BCG or the mutant were formulated in adjuvant and administered to SCID mice or immunocompromised mice depleted of IFNγ, significantly lower vaccine-derived mycobacterial CFU were detected relative to immunodeficient mice injected with non-adjuvanted BCG. Overall, these data suggest that immunization with the ΔmmaA4BCG/adjuvant formulation may be an effective, safe, and relatively inexpensive alternative to vaccination with conventional BCG. PMID:22442674

Active Interrogation for Spent Fuel

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

Swinhoe, Martyn Thomas; Dougan, Arden

2015-11-05

The DDA instrument for nuclear safeguards is a fast, non-destructive assay, active neutron interrogation technique using an external 14 MeV DT neutron generator for characterization and verification of spent nuclear fuel assemblies.

Differential die-away instrument: Report on comparison of fuel assembly experiments and simulations

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

Goodsell, Alison Victoria; Henzl, Vladimir; Swinhoe, Martyn Thomas

2015-01-14

Experimental results of the assay of mock-up (fresh) fuel with the differential die-away (DDA) instrument were compared to the Monte Carlo N-Particle eXtended (MCNPX) simulation results. Most principal experimental observables, the die-away time and the in tegral of the DDA signal in several time domains, have been found in good agreement with the MCNPX simulation results. The remaining discrepancies between the simulation and experimental results are likely due to small differences between the actual experimental setup and the simulated geometry, including uncertainty in the DT neutron generator yield. Within this report we also present a sensitivity study of the DDAmore » instrument which is a complex and sensitive system and demonstrate to what degree it can be impacted by geometry, material composition, and electronics performance.« less

Spectral characteristics of the bentonite loaded with benzyldimethyloctadecylammonium chloride, hexadecyltrimethylammonium bromide and dimethyldioctadecylammonium bromide

NASA Astrophysics Data System (ADS)

Majdan, Marek; Maryuk, Oksana; Gładysz-Płaska, Agnieszka; Pikus, Stanisław; Kwiatkowski, Ryszard

2008-02-01

The spectral characterization, including the FTIR, DRIFT (diffusive reflectance), SWAXS (small and wide angle X-ray scattering) spectra comparison of the sodium bentonite modified by BDMODA-Cl (benzyldimethyloctadecylammonium chloride), HDTMA-Br (hexadecyltrimethylammonium bromide), DDA-Br (dimethyldioctadecylammonium bromide) is presented in the paper. The FTIR spectra show the shift of C-H stretching vibrations: νsym(CH2), νasym(CH2) of surfactants methylene chains toward lower frequencies (from 2855 to 2851 cm -1 for νsym(CH2) and from 2927 to 2918 cm -1 for νansym(CH2) with the surfactant concentration in bentonite phase. The bending vibrations δH-O-H in water molecules change their positions in the direction of higher frequencies (from 1634 to 1647 cm -1) with the surfactant concentration for bentonite-BDMODA and bentonite-DDA contrary to bentonite-HDTMA, where the constant position δH-O-H is explained as the consequence of the lower concentration of the hydrogen bonded water in bentonite-HDTMA phase when compared with the remaining forms of bentonite. The DRIFT spectra reveal dramatic shift of the νSi-O stretching vibration toward higher frequencies upon intercalation of the sodium bentonite with the surfactant cations. The SWAXS spectra and SEM images of the bentonite are the evidence of somewhat different sorption mechanism of DDA-Br when compared with the BDMODA-Cl and HDTMA-Br, including remarkable external surface sorption contribution in the overall sorption.

Numerical study of the properties of optical vortex array laser tweezers.

PubMed

Kuo, Chun-Fu; Chu, Shu-Chun

2013-11-04

Chu et al. constructed a kind of Ince-Gaussian modes (IGM)-based vortex array laser beams consisting of p x p embedded optical vortexes from Ince-Gaussian modes, IG(e)(p,p) modes [Opt. Express 16, 19934 (2008)]. Such an IGM-based vortex array laser beams maintains its vortex array profile during both propagation and focusing, and is applicable to optical tweezers. This study uses the discrete dipole approximation (DDA) method to study the properties of the IGM-based vortex array laser tweezers while it traps dielectric particles. This study calculates the resultant force exerted on the spherical dielectric particles of different sizes situated at the IGM-based vortex array laser beam waist. Numerical results show that the number of trapping spots of a structure light (i.e. IGM-based vortex laser beam), is depended on the relation between the trapped particle size and the structure light beam size. While the trapped particle is small comparing to the beam size of the IGM-based vortex array laser beams, the IGM-based vortex array laser beams tweezers are suitable for multiple traps. Conversely, the tweezers is suitable for single traps. The results of this study is useful to the future development of the vortex array laser tweezers applications.

A new approach for modeling composite materials

NASA Astrophysics Data System (ADS)

Alcaraz de la Osa, R.; Moreno, F.; Saiz, J. M.

2013-03-01

The increasing use of composite materials is due to their ability to tailor materials for special purposes, with applications evolving day by day. This is why predicting the properties of these systems from their constituents, or phases, has become so important. However, assigning macroscopical optical properties for these materials from the bulk properties of their constituents is not a straightforward task. In this research, we present a spectral analysis of three-dimensional random composite typical nanostructures using an Extension of the Discrete Dipole Approximation (E-DDA code), comparing different approaches and emphasizing the influences of optical properties of constituents and their concentration. In particular, we hypothesize a new approach that preserves the individual nature of the constituents introducing at the same time a variation in the optical properties of each discrete element that is driven by the surrounding medium. The results obtained with this new approach compare more favorably with the experiment than previous ones. We have also applied it to a non-conventional material composed of a metamaterial embedded in a dielectric matrix. Our version of the Discrete Dipole Approximation code, the EDDA code, has been formulated specifically to tackle this kind of problem, including materials with either magnetic and tensor properties.

Determination of the plutonium content in a spent fuel assembly by passive and active interrogation using a differential die-away instrument

NASA Astrophysics Data System (ADS)

Henzl, V.; Croft, S.; Richard, J.; Swinhoe, M. T.; Tobin, S. J.

2013-06-01

In this paper, we present a novel approach to estimating the total plutonium content in a spent fuel assembly (SFA) that is based on combining information from a passive measurement of the total neutron count rate (PN) of the assayed SFA and a measure of its multiplication. While PN can be measured essentially with any non-destructive assay (NDA) technique capable of neutron detection, the measure of multiplication is, in our approach, determined by means of active interrogation using an instrument based on the Differential Die-Away technique (DDA). The DDA is a NDA technique developed within the U.S. Department of Energy's Next Generation Safeguards Initiative (NGSI) project focused on the utilization of NDA techniques to determine the elemental plutonium content in commercial nuclear SFA's [1]. This approach was adopted since DDA also allows determination of other SFA characteristics, such as burnup, initial enrichment, and cooling time, and also allows for detection of certain types of diversion of nuclear material. The quantification of total plutonium is obtained using an analytical correlation function in terms of the observed PN and active multiplication. Although somewhat similar approaches relating Pu content with PN have been adopted in the past, we demonstrate by extensive simulation of the fuel irradiation and NDA process that our analytical method is independent of explicit knowledge of the initial enrichment, burnup, and an absolute value of the SFA's reactivity (i.e. multiplication factor). We show that when tested with MCNPX™ simulations comprising the 64 SFA NGSI Spent Fuel Library-1 we were able to determine elemental plutonium content, using just a few calibration parameters, with an average variation in the prediction of around 1-2% across the wide dynamic range of irradiation history parameters used, namely initial enrichment (IE=2-5%), burnup (BU=15-60 GWd/tU) and cooling time (CT=1-80 y). In this paper we describe the basic approach and the success obtained against synthetic data. We recognize that our synthetic data may not fully capture the rich behavior of actual irradiated fuel and the uncertainties of the practical measurements. However, this design study is based on a rather complete nuclide inventory and the correlations for Pu seem robust to variation of input. Thus it is concluded that the proposed method is sufficiently promising that further experimentally based work is desirable.

The novel steroidal alkaloids dendrogenin A and B promote proliferation of adult neural stem cells

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

Khalifa, Shaden A.M., E-mail: shaden.khalifa@ki.se; Medina, Philippe de; INSERM UMR 1037, Team “Sterol Metabolism and Therapeutic Innovations in Oncology”, Cancer Research Center of Toulouse, F-31052 Toulouse

2014-04-11

Highlights: • Dendrogenin A and B are new aminoalkyl oxysterols. • Dendrogenins stimulated neural stem cells proliferation. • Dendrogenins induce neuronal outgrowth from neurospheres. • Dendrogenins provide new therapeutic options for neurodegenerative disorders. - Abstract: Dendrogenin A (DDA) and dendrogenin B (DDB) are new aminoalkyl oxysterols which display re-differentiation of tumor cells of neuronal origin at nanomolar concentrations. We analyzed the influence of dendrogenins on adult mice neural stem cell proliferation, sphere formation and differentiation. DDA and DDB were found to have potent proliferative effects in neural stem cells. Additionally, they induce neuronal outgrowth from neurospheres during in vitro cultivation.more » Taken together, our results demonstrate a novel role for dendrogenins A and B in neural stem cell proliferation and differentiation which further increases their likely importance to compensate for neuronal cell loss in the brain.« less

Gas turbine engines and transmissions for bus demonstration programs. Technical status report, 31 July 1979--31 October 1979

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

Nigro, D.N.

1979-11-01

The report summarizes the DDA activities for the effort performed on the procurement and delivery of eleven Allison GT 404-4 gas turbine engines and five HT740CT and six V730CT Allison automatic transmissions and the required associated software. The contract requires the delivery of the engines and transmissions for the Greyhound and Transit Coaches, respectively. In addition, software items such as cost reports, technical reports, installation drawings, acceptance test data and parts lists are required. A recent decision by the DOE will modify the build configuration for the last four (4) Transit Coach engines. It was decided by the DOE atmore » a meeting in Washington, DC on March 28, 1979 with representatives from DDA, NASA/LeRC, JPL and Booz-Allen and Hamilton that these engines are to be built with ceramic regenerators. (TFD)« less

Dechlorination of 1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane by Aerobacter aerogenes

USGS Publications Warehouse

Wedemeyer, Gary

1967-01-01

Whole cells or cell-free extracts of Aerobacter aerogenes catalyze the degradation of 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT) in vitro to at least seven metabolites: 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (DDE); 1,1-dichloro-2,2-bis(p-chlorophenyl)ethane (DDD); 1-chloro-2,2-bis(p-chlorophenyl)ethylene (DDMU); 1-chloro-2,2-bis(p-chlorophenyl)ethane (DDMS); unsym-bis(p-chlorophenyl)ethylene (DDNU); 2,2-bis(p-chlorophenyl)acetate (DDA); and 4,4′-dichlorobenzophenone (DBP). The use of metabolic inhibitors together with pH and temperature studies indicated that discrete enzymes are involved. By use of the technique of sequential analysis, the metabolic pathway was shown to be: DDT → DDD →DDMU →DDMS → DDNU → DDA → DBP, or DDT → DDE. Dechlorination was marginally enhanced by light-activated flavin mononucleotide.

On the radiative properties of soot aggregates - Part 2: Effects of coating

NASA Astrophysics Data System (ADS)

Liu, Fengshan; Yon, Jérôme; Bescond, Alexandre

2016-03-01

The effects of weakly absorbing material coating on soot have attracted considerable research attention in recent years due to the significant influence of such coating on soot radiative properties and the large differences predicted by different numerical models. Soot aggregates were first numerically generated using the diffusion limited cluster aggregation algorithm to produce fractal aggregates formed by log-normally distributed polydisperse spherical primary particles in point-touch. These aggregates were then processed by adding a certain amount of primary particle overlapping and necking to simulate the soot morphology observed from transmission electron microscopy images. After this process, a layer of WAM coating of different thicknesses was added to these more realistic soot aggregates. The radiative properties of these coated soot aggregates over the spectral range of 266-1064 nm were calculated by the discrete dipole approximation (DDA) using the spectrally dependent refractive index of soot for four aggregates containing Np=1, 20, 51 and 96 primary particles. The considered coating thicknesses range from 0% (no coating) up to 100% coating in terms of the primary particle diameter. Coating enhances both the particle absorption and scattering cross sections, with much stronger enhancement to the scattering one, as well as the asymmetry factor and the single scattering albedo. The absorption enhancement is stronger in the UV than in the visible and the near infrared. The simple corrections to the Rayleigh-Debye-Gans fractal aggregates theory for uncoated soot aggregates are found not working for coated soot aggregates. The core-shell model significantly overestimates the absorption enhancement by coating in the visible and the near infrared compared to the DDA results of the coated soot particle. Treating an externally coated soot aggregate as an aggregate formed by individually coated primary particles significantly underestimates the absorption enhancement by coating in the visible and the near infrared.

Brouwer Award Lecture: Anelastic tides of close-in satellites and exoplanets

NASA Astrophysics Data System (ADS)

Ferraz-Mello, Sylvio

2016-05-01

This lecture reviews a new theory of the anelastic tides of celestial bodies in which the deformation of the body is the result of a Newtonian creep inversely proportional to the viscosity of the body and, along each radius, directly proportional to the distance from the actual surface of the body to the equilibrium. The first version of the theory (AAS/DDA 2012; CeMDA 2013), was restricted to homogeneous bodies. It was applied to many different bodies as the Moon, Mercury, super-Earths and hot Jupiters. An improved version (AAS/DDA 2014) included also the loss of angular momentum due to stellar winds and was applied to the study of the rotational evolution of active stars hosting massive companions. One more recent version (Folonier et al. AAS/DDA 2013; DPS 2015) allowed for the consideration of layered structures and was applied to Titan and Mercury. The resulting anelastic tides depend on the nature of the considered body. In the case of low-viscosity bodies (high relaxation factor), as gaseous planets and stars, the results are nearly the same of Darwin's theory. For instance, in these cases the dissipation grows proportionally to the tidal frequency. In the case of high-viscosity rocky satellites and planets (low relaxation factor), the results are structurally different: the dissipation varies with the tidal frequency following an inverse power law and the rotation may be driven to several attractors whose frequencies are 1/2, 1, 3/2, 2, 5/2,… times the orbital mean-motion, even when no permanent triaxiality exists.

Fiscal Year (FY) 2017 Activities for the Spent Fuel Nondestructive Assay Project

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

Trellue, Holly Renee; Trahan, Alexis Chanel; McMath, Garrett Earl

The main focus of research in the NA-241 spent fuel nondestructive assay (NDA) project in FY17 has been completing the fabrication and testing of two prototype instruments for upcoming spent fuel measurements at the Clab interim storage facility in Sweden. One is a passive instrument: Differential Die-away Self Interrogation-Passive Neutron Albedo Reactivity (DDSI), and one is an active instrument: Differential Die-Away-Californium Interrogation with Prompt Neutron (DDA). DDSI was fabricated and tested with fresh fuel at Los Alamos National Laboratory in FY15 and FY16, then shipped to Sweden at the beginning of FY17. Research was performed in FY17 to simplify resultsmore » from the data acquisition system, which is complex because signals from 56 different 3He detectors must be processed using list mode data. The DDA instrument was fabricated at the end of FY16. New high count rate electronics better suited for a spent fuel environment (i.e., KM-200 preamplifiers) were built specifically for this instrument in FY17, and new Tygon tubing to house electrical cables was purchased and installed. Fresh fuel tests using the DDA instrument with numerous configurations of fuel rods containing depleted uranium (DU), low enriched uranium (LEU), and LEU with burnable poisons (Gd) were successfully performed and compared to simulations.1 Additionally, members of the spent fuel NDA project team travelled to Sweden for a “spent fuel characterization and decay heat” workshop involving simulations of spent fuel and analysis of uncertainties in decay heat calculations.« less

The Computational Complexity, Parallel Scalability, and Performance of Atmospheric Data Assimilation Algorithms

NASA Technical Reports Server (NTRS)

Lyster, Peter M.; Guo, J.; Clune, T.; Larson, J. W.; Atlas, Robert (Technical Monitor)

2001-01-01

The computational complexity of algorithms for Four Dimensional Data Assimilation (4DDA) at NASA's Data Assimilation Office (DAO) is discussed. In 4DDA, observations are assimilated with the output of a dynamical model to generate best-estimates of the states of the system. It is thus a mapping problem, whereby scattered observations are converted into regular accurate maps of wind, temperature, moisture and other variables. The DAO is developing and using 4DDA algorithms that provide these datasets, or analyses, in support of Earth System Science research. Two large-scale algorithms are discussed. The first approach, the Goddard Earth Observing System Data Assimilation System (GEOS DAS), uses an atmospheric general circulation model (GCM) and an observation-space based analysis system, the Physical-space Statistical Analysis System (PSAS). GEOS DAS is very similar to global meteorological weather forecasting data assimilation systems, but is used at NASA for climate research. Systems of this size typically run at between 1 and 20 gigaflop/s. The second approach, the Kalman filter, uses a more consistent algorithm to determine the forecast error covariance matrix than does GEOS DAS. For atmospheric assimilation, the gridded dynamical fields typically have More than 10(exp 6) variables, therefore the full error covariance matrix may be in excess of a teraword. For the Kalman filter this problem can easily scale to petaflop/s proportions. We discuss the computational complexity of GEOS DAS and our implementation of the Kalman filter. We also discuss and quantify some of the technical issues and limitations in developing efficient, in terms of wall clock time, and scalable parallel implementations of the algorithms.

Fatty acids isolated from royal jelly modulate dendritic cell-mediated immune response in vitro.

PubMed

Vucevic, Dragana; Melliou, Eleni; Vasilijic, Sasa; Gasic, Sonja; Ivanovski, Petar; Chinou, Ioanna; Colic, Miodrag

2007-09-01

Royal jelly (RJ), especially its protein components, has been shown to possess immunomodulatory activity. However, almost nothing is known about the influence of RJ fatty acids on the immune system. In this work we studied the effect of 10-hydroxy-2-decanoic acid (10-HDA) and 3,10-dihydroxy-decanoic acid (3,10-DDA), isolated from RJ, on the immune response using a model of rat dendritic cell (DC)-T-cell cocultures. Both fatty acids, at higher concentrations, inhibited the proliferation of allogeneic T cells. The effect of 10-HDA was stronger and was followed by a decrease in interleukin-2 (IL-2) production and down-regulation of IL-2 receptor expression. Spleen DC, cultivated with 10 microg/ml of fatty acids down-regulated the expression of CD86 and the production of IL-12, but up-regulated the production of IL-10. In contrast, DC, pretreated with 100 microg/ml of 3,10-DDA, up-regulated the expression of CD86 and augmented the proliferation of allogeneic T cells. The highest dose (200 microg/ml) of both fatty acids which was non-apoptotic for both T cells and DC, down-regulated the expression of MHC class II and CD86, decreased the production of IL-12 and made these DC less allostimulatory. The immunosuppressive activity of 3,10-DDA was also confirmed in vivo, using a model of Keyhole lymphet hemocyanine immunization of rats. In conclusion, our results showed the immunomodulatory activity of RJ fatty acids and suggest that DC are a significant target of their action.

Disulfide bond disrupting agents activate the unfolded protein response in EGFR- and HER2-positive breast tumor cells

PubMed Central

Law, Mary E.; Davis, Bradley J.; Bartley, Ashton N.; Higgins, Paul J.; Kilberg, Michael S.; Santostefano, Katherine E.; Terada, Naohiro; Heldermon, Coy D.; Castellano, Ronald K.; Law, Brian K.

2017-01-01

Many breast cancer deaths result from tumors acquiring resistance to available therapies. Thus, new therapeutic agents are needed for targeting drug-resistant breast cancers. Drug-refractory breast cancers include HER2+ tumors that have acquired resistance to HER2-targeted antibodies and kinase inhibitors, and “Triple-Negative” Breast Cancers (TNBCs) that lack the therapeutic targets Estrogen Receptor, Progesterone Receptor, and HER2. A significant fraction of TNBCs overexpress the HER2 family member Epidermal Growth Factor Receptor (EGFR). Thus agents that selectively kill EGFR+ and HER2+ tumors would provide new options for breast cancer therapy. We previously identified a class of compounds we termed Disulfide bond Disrupting Agents (DDAs) that selectively kill EGFR+ and HER2+ breast cancer cells in vitro and blocked the growth of HER2+ breast tumors in an animal model. DDA-dependent cytotoxicity was found to correlate with downregulation of HER1-3 and Akt dephosphorylation. Here we demonstrate that DDAs activate the Unfolded Protein Response (UPR) and that this plays a role in their ability to kill EGFR+ and HER2+ cancer cells. The use of breast cancer cell lines ectopically expressing EGFR or HER2 and pharmacological probes of UPR revealed all three DDA responses: HER1-3 downregulation, Akt dephosphorylation, and UPR activation, contribute to DDA-mediated cytotoxicity. Significantly, EGFR overexpression potentiates each of these responses. Combination studies with DDAs suggest that they may be complementary with EGFR/HER2-specific receptor tyrosine kinase inhibitors and mTORC1 inhibitors to overcome drug resistance. PMID:28423644

Electromagnetic enhancement of ordered silver nanorod arrays evaluated by discrete dipole approximation.

PubMed

Wei, Guoke; Wang, Jinliang; Chen, Yu

2015-01-01

The enhancement factor (EF) of surface-enhanced Raman scattering (SERS) from two-dimensional (2D) hexagonal silver nanorod (AgNR) arrays were investigated in terms of electromagnetic (EM) mechanism by using the discrete dipole approximation (DDA) method. The dependence of EF on several parameters, i.e., structure, length, excitation wavelength, incident angle and polarization, and gap size has been investigated. "Hotspots" were found distributed in the gaps between adjacent nanorods. Simulations of AgNR arrays of different lengths revealed that increasing the rod length from 374 to 937 nm (aspect ratio from 2.0 to 5.0) generated more "hotspots" but not necessarily increased EF under both 514 and 532 nm excitation. A narrow lateral gap (in the incident plane) was found to result in strong EF, while the dependence of EF on the diagonal gap (out of the incident plane) showed an oscillating behavior. The EF of the array was highly dependent on the angle and polarization of the incident light. The structure of AgNR and the excitation wavelength were also found to affect the EF. The EF of random arrays was stronger than that of an ordered one with the same average gap of 21 nm, which could be explained by the exponential dependence of EF on the lateral gap size. Our results also suggested that absorption rather than extinction or scattering could be a good indicator of EM enhancement. It is expected that the understanding of the dependence of local field enhancement on the structure of the nanoarrays and incident excitations will shine light on the optimal design of efficient SERS substrates and improved performance.

Raman Antenna Effect in Semiconducting Nanowires.

NASA Astrophysics Data System (ADS)

Chen, Gugang; Xiong, Qihua; Eklund, Peter

2007-03-01

A novel Raman antenna effect has been observed in Raman scattering experiments recently carried out on individual GaP nanowires [1]. The Raman antenna effect is perfectly general and should appear in all semiconducting nanowires. It is characterized by an anomalous increase in the Raman cross section for scattering from LO or TO phonons when the electric field of the incident laser beam is parallel to the nanowire axis. We demonstrate that the explanation for the effect lies in the polarization dependence of the Mie scattering from the nanowire and the concomitant polarization-dependent electric field set up inside the wire. Our analysis involves calculations of the internal electric field using the discrete dipole approximation (DDA). We find that the Raman antenna effect happens only for nanowire diameters d<λ/4, where λ is the excitation laser wavelength. Our calculations are found in good agreement with recent experimental results for scattering from individual GaP nanowires. [1] Q. Xiong, G. Chen, G. D. Mahan, P. C. Eklund, in preparation, 2006.

Assessment of Sample Preparation Bias in Mass Spectrometry-Based Proteomics.

PubMed

Klont, Frank; Bras, Linda; Wolters, Justina C; Ongay, Sara; Bischoff, Rainer; Halmos, Gyorgy B; Horvatovich, Péter

2018-04-17

For mass spectrometry-based proteomics, the selected sample preparation strategy is a key determinant for information that will be obtained. However, the corresponding selection is often not based on a fit-for-purpose evaluation. Here we report a comparison of in-gel (IGD), in-solution (ISD), on-filter (OFD), and on-pellet digestion (OPD) workflows on the basis of targeted (QconCAT-multiple reaction monitoring (MRM) method for mitochondrial proteins) and discovery proteomics (data-dependent acquisition, DDA) analyses using three different human head and neck tissues (i.e., nasal polyps, parotid gland, and palatine tonsils). Our study reveals differences between the sample preparation methods, for example, with respect to protein and peptide losses, quantification variability, protocol-induced methionine oxidation, and asparagine/glutamine deamidation as well as identification of cysteine-containing peptides. However, none of the methods performed best for all types of tissues, which argues against the existence of a universal sample preparation method for proteome analysis.

Numerical Modeling of Earthquake-Induced Landslide Using an Improved Discontinuous Deformation Analysis Considering Dynamic Friction Degradation of Joints

NASA Astrophysics Data System (ADS)

Huang, Da; Song, Yixiang; Cen, Duofeng; Fu, Guoyang

2016-12-01

Discontinuous deformation analysis (DDA) as an efficient technique has been extensively applied in the dynamic simulation of discontinuous rock mass. In the original DDA (ODDA), the Mohr-Coulomb failure criterion is employed as the judgment principle of failure between contact blocks, and the friction coefficient is assumed to be constant in the whole calculation process. However, it has been confirmed by a host of shear tests that the dynamic friction of rock joints degrades. Therefore, the friction coefficient should be gradually reduced during the numerical simulation of an earthquake-induced rockslide. In this paper, based on the experimental results of cyclic shear tests on limestone joints, exponential regression formulas are fitted for dynamic friction degradation, which is a function of the relative velocity, the amplitude of cyclic shear displacement and the number of its cycles between blocks with an edge-to-edge contact. Then, an improved DDA (IDDA) is developed by implementing the fitting regression formulas and a modified removing technique of joint cohesion, in which the cohesion is removed once the `sliding' or `open' state between blocks appears for the first time, into the ODDA. The IDDA is first validated by comparing with the theoretical solutions of the kinematic behaviors of a sliding block on an inclined plane under dynamic loading. Then, the program is applied to model the Donghekou landslide triggered by the 2008 Wenchuan earthquake in China. The simulation results demonstrate that the dynamic friction degradation of joints has great influences on the runout and velocity of sliding mass. Moreover, the friction coefficient possesses higher impact than the cohesion of joints on the kinematic behaviors of the sliding mass.

Prostate Cancer Xenograft Inhibitory Activity and Pharmacokinetics of Decursinol, a Metabolite of Angelica gigas Pyranocoumarins, in Mouse Models.

PubMed

Wu, Wei; Tang, Su-Ni; Zhang, Yong; Puppala, Manohar; Cooper, Timothy K; Xing, Chengguo; Jiang, Cheng; Lü, Junxuan

2017-01-01

We have previously shown that the ethanol extract of dried Angelica gigas Nakai (AGN) root exerts anticancer activity against androgen receptor (AR)-negative human DU145 and PC-3 prostate cancer xenografts and primary carcinogenesis in the transgenic adenocarcinoma of mouse prostate (TRAMP) model. The major pyranocoumarin isomers decursin (D) and decursinol angelate (DA), when provided at equi-molar intake to that provided by AGN extract, accounted for the inhibitory efficacy against precancerous epithelial lesions in TRAMP mice. Since we and others have shown in rodents and humans that D and DA rapidly and extensively convert to decursinol, here we tested whether decursinol might be an in vivo active compound for suppressing xenograft growth of human prostate cancer cells expressing AR. In SCID-NSG mice carrying subcutaneously inoculated human LNCaP/AR-Luc cells overexpressing the wild type AR, we compared the efficacy of 4.5[Formula: see text]mg decursinol per mouse with equi-molar dose of 6[Formula: see text]mg D/DA per mouse. The result showed that decursinol decreased xenograft tumor growth by 75% and the lung metastasis, whereas D/DA exerted a much less effect. Measurement of plasma decursinol concentration, at 3[Formula: see text]h after the last dose of respective dosing regimen, showed higher circulating level in the decursinol-treated NSG mice than in the D/DA-treated mice. In a subsequent single-dose pharmacokinetic experiment, decursinol dosing led to 3.7-fold area under curve (AUC) of plasma decursinol over that achieved by equi-molar D/DA dosing. PK advantage notwithstanding, decursinol represents an active compound to exert in vivo prostate cancer growth and metastasis inhibitory activity in the preclinical model.

Collecting Disability Data from Parents

ERIC Educational Resources Information Center

Porter, Jill; Daniels, Harry; Feiler, Anthony; Georgeson, Jan

2011-01-01

This article describes the development and national trial of a methodology for collecting disability data directly from parents, enabling schools and local authorities to meet their obligations under the "Disability Discrimination Act" (DDA; 2005) to promote equality of opportunity for all children. It illustrates the complexities around…

Simulation of differential die-away instrument’s response to asymmetrically burned spent nuclear fuel

DOE PAGES

Martinik, Tomas; Henzl, Vladimir; Grape, Sophie; ...

2015-03-04

Here, previous simulation studies of Differential Die–Away (DDA) instrument’s response to active interrogation of spent nuclear fuel from a pressurized water reactor (PWR) yielded promising results in terms of its capability to accurately measure or estimate basic spent fuel assembly (SFA) characteristics, such as multiplication, initial enrichment (IE) and burn-up (BU) as well as the total plutonium content. These studies were however performed only for a subset of idealized SFAs with a symmetric BU with respect to its longitudinal axis. Therefore, to complement the previous results, additional simulations have been performed of the DDA instrument’s response to interrogation of asymmetricallymore » burned spent nuclear fuel in order to determine whether detailed assay of SFAs from all 4 sides will be necessary in real life applications or whether a cost and time saving single sided assay could be used to achieve results of similar quality as previously reported in case of symmetrically burned SFAs.« less

Low publication rate of 2005 conference presentations: implications for practitioners serving individuals with autism and intellectual disabilities.

PubMed

Richling, Sarah M; Rapp, John T; Funk, Janie A; D'Agostini, Jaimie; Garrido, Natalia; Moreno, Vicki

2014-11-01

This study determined the percentage of presentations at the annual conference of the Association for Behavior Analysis in 2005 with the autism (AUT) and developmental disabilities (DDA) codes (N=880) that (a) provided continuing education credits (CEs) for Board Certified Behavior Analysts (BCBAs) and Board Certified Assistant Behavior Analysts (BCaBAs) and (b) included content that was published in a peer-reviewed outlet. Results indicate that only 77 (8.8%) presentations were ultimately published. Although posters were not eligible for CEs, posters accounted for 57.1% of the published presentations. Specifically, posters presented by a university-affiliated presenter accounted for 44.2% of presentations with published content. As a whole, only 10.4% of AUT and DDA presentations offering CEs contained data sets that were published. Considered together, these results suggest that the content provided to BCBAs and BCaBAs for CEs may not be adequately measured or sufficiently rigorous to guide clinical practices. Copyright © 2014 Elsevier Ltd. All rights reserved.

Simulation of differential die-away instrument’s response to asymmetrically burned spent nuclear fuel

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

Martinik, Tomas; Henzl, Vladimir; Grape, Sophie

Here, previous simulation studies of Differential Die–Away (DDA) instrument’s response to active interrogation of spent nuclear fuel from a pressurized water reactor (PWR) yielded promising results in terms of its capability to accurately measure or estimate basic spent fuel assembly (SFA) characteristics, such as multiplication, initial enrichment (IE) and burn-up (BU) as well as the total plutonium content. These studies were however performed only for a subset of idealized SFAs with a symmetric BU with respect to its longitudinal axis. Therefore, to complement the previous results, additional simulations have been performed of the DDA instrument’s response to interrogation of asymmetricallymore » burned spent nuclear fuel in order to determine whether detailed assay of SFAs from all 4 sides will be necessary in real life applications or whether a cost and time saving single sided assay could be used to achieve results of similar quality as previously reported in case of symmetrically burned SFAs.« less

Plasmon-mediated chemical surface functionalization at the nanoscale

NASA Astrophysics Data System (ADS)

Nguyen, Mai; Lamouri, Aazdine; Salameh, Chrystelle; Lévi, Georges; Grand, Johan; Boubekeur-Lecaque, Leïla; Mangeney, Claire; Félidj, Nordin

2016-04-01

Controlling the surface grafting of species at the nanoscale remains a major challenge, likely to generate many opportunities in materials science. In this work, we propose an original strategy for chemical surface functionalization at the nanoscale, taking advantage of localized surface plasmon (LSP) excitation. The surface functionalization is demonstrated through aryl film grafting (derived from a diazonium salt), covalently bonded at the surface of gold lithographic nanostripes. The aryl film is specifically grafted in areas of maximum near field enhancement, as confirmed by numerical calculation based on the discrete dipole approximation method. The energy of the incident light and the LSP wavelength are shown to be crucial parameters to monitor the aryl film thickness of up to ~30 nm. This robust and versatile strategy opens up exciting prospects for the nanoscale confinement of functional layers on surfaces, which should be particularly interesting for molecular sensing or nanooptics.Controlling the surface grafting of species at the nanoscale remains a major challenge, likely to generate many opportunities in materials science. In this work, we propose an original strategy for chemical surface functionalization at the nanoscale, taking advantage of localized surface plasmon (LSP) excitation. The surface functionalization is demonstrated through aryl film grafting (derived from a diazonium salt), covalently bonded at the surface of gold lithographic nanostripes. The aryl film is specifically grafted in areas of maximum near field enhancement, as confirmed by numerical calculation based on the discrete dipole approximation method. The energy of the incident light and the LSP wavelength are shown to be crucial parameters to monitor the aryl film thickness of up to ~30 nm. This robust and versatile strategy opens up exciting prospects for the nanoscale confinement of functional layers on surfaces, which should be particularly interesting for molecular sensing or nanooptics. Electronic supplementary information (ESI) available: Additional figures are displayed (from Fig. SI1-SI6) to illustrate the content of the paper, including the proposed mechanisms of diazonium-derived aryl film grafting, the AFM measurements of the aryl film thickness and the calculation by the DDA method. See DOI: 10.1039/C6NR00744A

The alkyl amines effect on the optical properties of inorganic perovskite quantum dot

NASA Astrophysics Data System (ADS)

Yang, Ya-Zhu; Chung, Shu-Ru

2017-08-01

Perovskite quantum dots (P-QDs) is a new kind of optoelectronic materials in recent years. Compared with organic perovskite QDs (MAPbX3), inorganic perovskite QDs (CsPbX3) have a better stability. Inorganic P-QDs can be prepared at low temperature. Those novel QDs can be applied in solar cells, light-emitting diodes (LEDs), display, and biolables. Typical synthesis process to prepare CsPbX3 QDs is used oleic acid (OA) and cesium carbonate (Cs2CO3) to form Cs-oleate complex first. Moreover, the oleylamine (OLA) and octadecene (ODE) are used as capping agents. Cs-oleate complex then reacts with PbX2 to form CsPbX3 QDs (reacts for 5 s). As we know that the CsPbBr3 QDs emits green light, and its emission wavelength can be tuned by adding Cland Iions to replace Brion. However, the reaction rate of CsPbX3 QDs is fast, and it is not easy to control the emission wavelength by particle size. In this study, we use the saturated alkyl amines with difference of carbon chain length such as dodecylamine (DDA), hexadecylamine (HDA), and octadecylamine (ODA) to prepare CsPbBr3 QDs. The result shows that the emission spectra for all samples range from 489 (ODA) to 514 nm (DDA), the full width at half-maximum (FWHM) is between 23 to 28 nm, the surface morphologies of all samples are nearly spherical, and the quantum yields (QYs) are higher up to 130 % (compared with R6G and the excitation wavelength is 450 nm). Based on emission spectra we can find that the emission peaks are fixed even under different excitation wavelength, imply that the particle size distribution of QDs is uniform. Moreover, the emission wavelength blue shifts with increasing carbon chain length of amines. The stability of alkyl amine-capped CsPbBr3 QDs is good, especially for DDA-capped sample. We also find that a small emission peak around 462 nm can be only observed for DDA-capped sample. Furthermore, this small peak also can be observed even prolong the reaction time to 10 min. The emission wavelengths of CsPbBr3 QDs can be controlled by carbon chain length of alkyl amines. The small FWHM and high QYs of CsPbBr3 QDs meaning that it is benefit to enhance the color gamut of display.

CryoSat-2: From SAR to LRM (FBR) for quantitative precision comparison over identical sea state

NASA Astrophysics Data System (ADS)

Martin-Puig, Cristina; Ruffini, Giulio; Raney, R. Keith; Gommenginger, Christine

The use of Synthetic Aperture Radar (SAR) techniques in conventional altimetry—i.e., Delay Doppler Altimetry (DDA)—was first introduced by R.K. Raney in 1998 [1]. This technique provides an improved solution for water surface altimetry observations due to two major innova-tions: the addition of along track processing for increased resolution, and multi-look processing for improved SNR. Cryosat-2 (scheduled for launch 2010) will be the first satellite to operate a SAR altimetry mode. Although its main focus will be the cryosphere, this instrument will also be sporadically operative over water surfaces, thus provide an opportunity to test and refine the improved capabilities of DDA. Moreover, the work presented here is of interest to the ESA's Sentinel-3 mission. This mission will be devoted to the provision of operational oceanographic services within Global Monitoring for the Environment and Security (GMES), and will include a DDA altimeter on board. SAMOSA, an ESA funded project, has studied along the last two years the potentialities of advanced DDA over water surfaces. Its extension aims to better quantify the improvement of DDA over conventional altimetry for the characterization of water surfaces. Cryosat-2s altimeter (SIRAL) has three operating modes: the Low Resolution Mode (LRM), the SAR mode and the inSAR mode. The first two are of interest for the work to be done. In LRM the altimeter performs as a conventional pulse limited altimeter (PRF of 1970 Hz); in SAR mode the pulses are transmitted in bursts (64 pulses per burst). In the last, correlation between echoes is desired [1], thus the PRF within a burst is higher than in LRM (PRF of 17.8 KHz). After transmission the altimeter waits for the returns, and transmits the next burst (burst repetition frequency of 85.7 Hz). The previous acquisition modes will provide different data products: level 1 or full bit rate data (FBR), level 1b or multi-looked waveform data, and level 2 for evaluation or geophysical products. This paper is only addressing FBR data for LRM and SAR mode. In LRM the FBR data corresponds to echoes incoherently multi-looked on-board the satellite at a rate of 20Hz, while in SAR mode FBR corresponds to individual complex echoes (I and Q), telemetered before the IFFT block [2]. Given that CryoSat-2 operational modes are exclusive, one task within SAMOSA extension aims to reduce SAR FBR data such that it emulates LRM FBR data allowing for the quantitative comparison of the measurement precision over identical sea state. In working to this aim, three methodolo-gies were implemented in the SAMOSA contract, the results achieved and detailed discussions with JHU/APL identified a revised approach (to be implemented in the SAMOSA extension), which should allow the team to meet the task goal. The different approaches will be presented in this paper. ACKNOWLEDGEMENT The authors of this paper would like to acknowledge the European Space Agency for funding the work presented in this paper, with special attention to J. Benveniste and S. Dinardo (ESA); and the SAMOSA team: D. Cotton (SatOC; UK), L. Stenseng (DTU; DE) and P. Berry (DMU; UK) REFERENCES [1] R.K.Raney, The Delay/Doppler Radar Altimeter, IEEE Trans. Georsci. Remote Sensing, vol. 36, pp. 1578-1588, Sep 1998. [2] CryoSat Mission and Data Description, Doc No. CS-RP-ESA-SY-0059, 2007.

Analysis and evaluation of WRF microphysical schemes for deep moist convection over south-eastern South America (SESA) using microwave satellite observations and radiative transfer simulations

NASA Astrophysics Data System (ADS)

Sol Galligani, Victoria; Wang, Die; Alvarez Imaz, Milagros; Salio, Paola; Prigent, Catherine

2017-10-01

In the present study, three meteorological events of extreme deep moist convection, characteristic of south-eastern South America, are considered to conduct a systematic evaluation of the microphysical parameterizations available in the Weather Research and Forecasting (WRF) model by undertaking a direct comparison between satellite-based simulated and observed microwave radiances. A research radiative transfer model, the Atmospheric Radiative Transfer Simulator (ARTS), is coupled with the WRF model under three different microphysical parameterizations (WSM6, WDM6 and Thompson schemes). Microwave radiometry has shown a promising ability in the characterization of frozen hydrometeors. At high microwave frequencies, however, frozen hydrometeors significantly scatter radiation, and the relationship between radiation and hydrometeor populations becomes very complex. The main difficulty in microwave remote sensing of frozen hydrometeor characterization is correctly characterizing this scattering signal due to the complex and variable nature of the size, composition and shape of frozen hydrometeors. The present study further aims at improving the understanding of frozen hydrometeor optical properties characteristic of deep moist convection events in south-eastern South America. In the present study, bulk optical properties are computed by integrating the single-scattering properties of the Liu(2008) discrete dipole approximation (DDA) single-scattering database across the particle size distributions parameterized by the different WRF schemes in a consistent manner, introducing the equal mass approach. The equal mass approach consists of describing the optical properties of the WRF snow and graupel hydrometeors with the optical properties of habits in the DDA database whose dimensions might be different (Dmax') but whose mass is conserved. The performance of the radiative transfer simulations is evaluated by comparing the simulations with the available coincident microwave observations up to 190 GHz (with observations from Tropical Rainfall Measuring Mission's (TRMM) Microwave Imager (TMI), Microwave Humidity Sounder (MHS) and Special Sensor Microwave Imager/Sounder (SSMI/S)) using the χ2 test. Good agreement is obtained with all observations provided special care is taken to represent the scattering properties of the snow and graupel species.

75 FR 57481 - Statutorily Mandated Designation of Difficult Development Areas and Qualified Census Tracts for 2011

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-21

... makes new DDA designations annually for purposes of the Low-Income Housing Tax Credit (LIHTC) under... questions on how areas are designated and on geographic definitions, contact Michael K. Hollar, Senior... Budget (OMB) first published new metropolitan area definitions incorporating 2000 Census data in OMB...

Evaluation of novel adjuvant Eimeria profilin complex on intestinal host immune responses against live E. acervulina challenge infection

USDA-ARS?s Scientific Manuscript database

The effects of two novel adjuvants, QCDC (Quil A/cholesterol/DDA/Carbopol) and QCDCRT (QCDC/Bay R1005/cytosine-phosphate-guanosine oligodeoxynucleotides, CpG) emulsified with profilin, a conserved Eimeria recombinant protein, against avian coccidiosis were determined in broiler chickens. Chickens we...

Effects of novel vaccine/adjuvant complexes on the protective immunity against Eimeria acervulina and transcriptome profiles

USDA-ARS?s Scientific Manuscript database

This study investigated the ability of two novel adjuvant formulations, QCDC (Quil A/cholesterol/DDA/Carbopol) and QCDCR (QCDC/Bay R1005), in combination with a recombinant profilin vaccine, to modulate host protective immunity and to alter gene expression during experimental avian coccidiosis. Vac...

The Past, Present, and Future of Demand-Driven Acquisitions in Academic Libraries

ERIC Educational Resources Information Center

Goedeken, Edward A.; Lawson, Karen

2015-01-01

Demand-driven acquisitions (DDA) programs have become a well-established approach toward integrating user involvement in the process of building academic library collections. However, these programs are in a constant state of evolution. A recent iteration in this evolution of ebook availability is the advent of large ebook collections whose…

Investigation of Visual Performance after Administration of Cholinergic Blocking Agents. I. Benactyzine.

DTIC Science & Technology

1980-03-01

L.F., and Gillespie, H.K. (1971). Marihuana and the temporal span of awareness. Arch. Gen. Psychiat.,24,564-567. Masland, R.H. (1979) in Symposium 106...Defense Technical Information Center (rTIC) ATTN: DTIC-DDA Cameron Station Alexandria, VA 22314 1 copy Dean School of Medicine Uniformed Services

Text-Based Synchronous E-Learning and Dyslexia: Not Necessarily the Perfect Match!

ERIC Educational Resources Information Center

Woodfine, B. P.; Nunes, M. Baptista; Wright, D. J.

2008-01-01

The introduction, in the United Kingdom, of the Special Education Needs and Disabilities Act (SENDA) published and approved in 2001, has removed the exemptions given to educational institutions by the Disabilities Discrimination Act (DDA) of 1995. This applies to learning web sites and materials that must now undergo "reasonable…

Microwave-Assisted Hydrolysis of Chitosan from Shrimp Shell Waste for Glucosammine Hydrochlorid Production

NASA Astrophysics Data System (ADS)

Zaeni, Ahmad; Safitri, Endang; Fuadah, Badrotul; Nyoman Sudiana, I.

2017-05-01

Chitin is the most widespread renewable natural sources following cellulose as the main source of chitosan. Chitin is isolated from crustacean waste and shrimp shells. Chitosan is derived from chitin throuhgt demineralisation, deproteination, decolorisation and deacetylation process using chemicals such as sodium hydroxide, hydrogen chloride and acetone. Glucosamine hydrochloride (GlcN-Cl) can be produced by hydrolysis of chitosan by using hydrogen chloride. During deacetylation and hydrolysis the solution is heated by hotplate or furnace. In this paper we use microwave instead of hotplate for production chitosan and GlcN-Cl. The research investigates effect of microwaves to amount of rendemen and their property. The chitosan was characterized its moisture content, solubility, and degree of deacetylation (DDA). Whereas the glucosammine hydrochloride characterized its functional groups using FTIR and crystallization by using X-Ray Difraction (XRD). The experimental results show that the use of microwave energy on deacetilation of chitosan and hydrolisis processes can decrease time consuming and reactant concentration during production. the DDA value obtained was very high from 70 to 85%. The results also show that microwaves meet chitosan and GlcN-Cl standards.

Production of dissolved organic carbon enriched in deoxy sugars representing an additional sink for biological C drawdown in the Amazon River plume

NASA Astrophysics Data System (ADS)

Meador, Travis B.; Aluwihare, Lihini I.

2014-10-01

In North Atlantic waters impacted by discharges from the Amazon and Orinoco Rivers, where planktonic diatom-diazotroph associations (DDA) were active, we observed that an average (± standard deviation) of 61 ± 12% of the biological drawdown of dissolved inorganic carbon (DIC) was partitioned into the accumulating total organic carbon pool, representing a flux of up to 9 ± 4 Tg C yr-1. This drawdown corresponded with chemical alteration of ultrafiltered dissolved organic matter (UDOM), including increases in stable C isotopic composition (δ13C) and C:N. The dissolved carbohydrate component of UDOM also increased with biological DIC drawdown and diatom-associated diazotroph (i.e., Richelia) abundance. New carbohydrates could be distinguished by distinctively high relative abundances of deoxy sugars (up to 55% of monosaccharides), which may promote aggregate formation and enhance vertical carbon export. The identified production of non-Redfieldian, C-enriched UDOM thus suggests a mechanism to explain enhanced C sequestration associated with DDA N2 fixation, which may be widespread in mesohaline environments.

Spatial variability of trace metals and inorganic nutrients in surface waters of Todos Santos Bay, México in the summer of 2005 during a red tide algal bloom.

PubMed

Lares, M L; Marinone, S G; Rivera-Duarte, I; Beck, A; Sañudo-Wilhelmy, S

2009-05-01

Dissolved and particulate metals (Ag, Cd, Co, Cu, Ni, and Zn) and nutrients (PO(4), NO(3), and H(4)SiO(4)) were measured in Todos Santos Bay (TSB) in August 2005. Two sources producing local gradients were identified: one from a dredge discharge area (DDA) and another south of the port and a creek. The average concentrations of dissolved Cd and Zn (1.3 and 15.6 nM, respectively) were higher by one order of magnitude than the surrounding Pacific waters, even during upwelling, and it is attributed to the presence of a widespread and long-lasting red tide coupled with some degree of local pollution. A clear spatial gradient (10 to 6 pM), from coast to offshore, of dissolved Ag was evident, indicating the influence of anthropogenic inputs. The particulate fraction of all metals, except Cu, showed a factor of ~3 decrease in concentrations from the DDA to the interior of the bay. The metal distributions were related to the bay's circulation by means of a numerical model that shows a basically surface-wind-driven offshore current with subsurface compensation currents toward the coast. Additionally, the model shows strong vertical currents over the DDA. Principal component analysis revealed three possible processes that could be influencing the metal concentrations within TSB: anthropogenic inputs (Cd, Ag, and Co), biological proceses (NO(3), Zn, and Cu), and upwelling and mixing (PO(4), H(4)SiO(4), Cd, and Ni). The most striking finding of this study was the extremely high Cd concentrations, which have been only reported in highly contaminated areas. As there was a strong red tide, it is hypothesized that the dinoflagellates are assimilating the Cd, which is rapidly remineralized and being concentrated on the stratified surface layers.

Summer diatom blooms in the North Pacific subtropical gyre: 2008-2009.

PubMed

Villareal, Tracy A; Brown, Colbi G; Brzezinski, Mark A; Krause, Jeffrey W; Wilson, Cara

2012-01-01

The summertime North Pacific subtropical gyre has widespread phytoplankton blooms between Hawaii and the subtropical front (∼30°N) that appear as chlorophyll (chl) increases in satellite ocean color data. Nitrogen-fixing diatom symbioses (diatom-diazotroph associations: DDAs) often increase 10(2)-10(3) fold in these blooms and contribute to elevated export flux. In 2008 and 2009, two cruises targeted satellite chlorophyll blooms to examine DDA species abundance, chlorophyll concentration, biogenic silica concentration, and hydrography. Generalized observations that DDA blooms occur when the mixed layer depth is < 70 m are supported, but there is no consistent relationship between mixed layer depth, bloom intensity, or composition; regional blooms between 22-34°N occur within a broader temperature range (21-26°C) than previously reported. In both years, the Hemiaulus-Richelia and Rhizosolenia-Richelia DDAs increased 10(2)-10(3) over background concentrations within satellite-defined bloom features. The two years share a common trend of Hemiaulus dominance of the DDAs and substantial increases in the >10 µm chl a fraction (∼40-90+% of total chl a). Integrated diatom abundance varied 10-fold over <10 km. Biogenic silica concentration tracked diatom abundance, was dominated by the >10 µm size fraction, and increased up to 5-fold in the blooms. The two years differed in the magnitude of the surface chl a increase (2009>2008), the abundance of pennate diatoms within the bloom (2009>2008), and the substantially greater mixed layer depth in 2009. Only the 2009 bloom had sufficient chl a in the >10 µm fraction to produce the observed ocean color chl increase. Blooms had high spatial variability; ocean color images likely average over numerous small events over time and space scales that exceed the individual event scale. Summertime DDA export flux noted at the Hawaii time-series Sta. ALOHA is probably a generalized feature of the eastern N. Pacific north to the subtropical front.

Density functional theory design D-D-A type small molecule with 1.03 eV narrow band gap: effect of electron donor unit for organic photovoltaic solar cell

NASA Astrophysics Data System (ADS)

Sıdır, İsa

2017-10-01

Six new low-band-gap copolymers of donor-donor-acceptor (D-D-A) architecture have been designed using density functional theory and time-dependent density functional theory methods in order to use them in organic photovoltaic cell (OPVC). Phenanthro[3,4-d:9,10-d‧]bis([1,2,3]thiadiazole)-10,12-dicarbonitrile moiety has been used as an acceptor for all compounds. We insert benzo[1,2-b:4,5-b‧]dithiophene and N,N-diphenylbenzo[1,2-b:4,5-b‧]dithiophen-2-amine units as donor to complete designing of copolymers. In order to tuning the optical and electronic properties, we have modified the donor unit by substituted with amine, methoxyamine, N-methylenethiophen-2-amine, methoxy, alkoxy moieties. The band gap (Eg), HOMO and LUMO values and plots, open circuit voltage (VOC) as well as optical properties have been analysed for designed copolymers. The optimised copolymers exhibit low-band-gap lying in the range of 1.03-2.24 eV. DPTD-6 copolymer presents the optimal properties to be used as an active layer due to its low Eg (1.03 eV) and a moderate VOC (0.56 eV). Thus, OPVC based on this copolymer in bulk-heterojunction composites with [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) as an acceptor has been modelled. Eg and VOC values of composite material DPTD-6:PCBM are found as 1.32 and 0.65 eV, respectively. A model band diagram has been established for OPVC, simulating the energy transfer between active layers.

Analyses of Cometary Silicate Crystals: DDA Spectral Modeling of Forsterite

NASA Technical Reports Server (NTRS)

Wooden, Diane

2012-01-01

Comets are the Solar System's deep freezers of gases, ices, and particulates that were present in the outer protoplanetary disk. Where comet nuclei accreted was so cold that CO ice (approximately 50K) and other supervolatile ices like ethane (C2H2) were preserved. However, comets also accreted high temperature minerals: silicate crystals that either condensed (greater than or equal to 1400 K) or that were annealed from amorphous (glassy) silicates (greater than 850-1000 K). By their rarity in the interstellar medium, cometary crystalline silicates are thought to be grains that formed in the inner disk and were then radially transported out to the cold and ice-rich regimes near Neptune. The questions that comets can potentially address are: How fast, how far, and over what duration were crystals that formed in the inner disk transported out to the comet-forming region(s)? In comets, the mass fractions of silicates that are crystalline, f_cryst, translate to benchmarks for protoplanetary disk radial transport models. The infamous comet Hale-Bopp has crystalline fractions of over 55%. The values for cometary crystalline mass fractions, however, are derived assuming that the mineralogy assessed for the submicron to micron-sized portion of the size distribution represents the compositional makeup of all larger grains in the coma. Models for fitting cometary SEDs make this assumption because models can only fit the observed features with submicron to micron-sized discrete crystals. On the other hand, larger (0.1-100 micrometer radii) porous grains composed of amorphous silicates and amorphous carbon can be easily computed with mixed medium theory wherein vacuum mixed into a spherical particle mimics a porous aggregate. If crystalline silicates are mixed in, the models completely fail to match the observations. Moreover, models for a size distribution of discrete crystalline forsterite grains commonly employs the CDE computational method for ellipsoidal platelets (c:a:b=8.14x8.14xl in shape with geometrical factors of x:y:z=1:1:10, Fabian et al. 2001; Harker et al. 2007). Alternatively, models for forsterite employ statistical methods like the Distribution of Hollow Spheres (Min et al. 2008; Oliveira et al. 2011) or Gaussian Random Spheres (GRS) or RGF (Gielen et al. 200S). Pancakes, hollow spheres, or GRS shapes similar to wheat sheaf crystal habit (e.g., Volten et al. 2001; Veihelmann et al. 2006), however, do not have the sharp edges, flat faces, and vertices seen in images of cometary crystals in interplanetary dust particles (IDPs) or in Stardust samples. Cometary forsterite crystals often have equant or tabular crystal habit (J. Bradley). To simulate cometary crystals, we have computed absorption efficiencies of forsterite using the Discrete Dipole Approximation (DDA) DDSCAT code on NAS supercomputers. We compute thermal models that employ a size distribution of discrete irregularly shaped forsterite crystals (nonspherical shapes with faces and vertices) to explore how crystal shape affects the shape and wavelength positions of the forsterite spectral features and to explore whether cometary crystal shapes support either condensation or annealing scenarios (Lindsay et al. 2012a, b). We find forsterite crystal shapes that best-fit comet Hale-Bopp are tetrahedron, bricks or brick platelets, essentially equant or tabular (Lindsay et al. 2012a,b), commensurate with high temperature condensation experiments (Kobatake et al. 2008). We also have computed porous aggregates with crystal monomers and find that the crystal resonances are amplified. i.e., the crystalline fraction is lower in the aggregate than is derived by fitting a linear mix of spectral features from discrete subcomponents, and the crystal resonances 'appear' to be from larger crystals (Wooden et al. 2012). These results may indicate that the crystalline mass fraction in comets with comae dominated by aggregates may be lower than deduced by popular methods that only emoy ensembles of discrete crystals.

Target Recognition in Ultra-Wideband SAR Imagery

DTIC Science & Technology

1994-08-01

Poles in a Transfer Function for Real Frequency Informa- tion," Lawrence Livermore Laboratory, UCRL -52050 (April 1974). 24. V. K Jain, T. K. Sarker, and...0.777 Gaussian 0.849 1 5,265 0.978 93 Distribution Adrnnstr ARPAJASTO Defris Techi Info Ctr Attn T DePersia Attn DTIC-DDA (2 copies) 3701 N Fairfax Dr

Occurences and Fate of DDT Principal Isomers/Metabolites, DDA, and o,p'-DDD Enantiomers in Fish, Sediment and Water at a DDT-Impacted Superfund Site

EPA Science Inventory

In the 1950s and 60s, discharges from a DDT manufacturing plant contaminated a tributary system of the Tennessee River near Huntsville, Alabama, USA. Regulatory action resulted in declaring the area a Superfund site which required remediation and extensive monitoring. Monitoring ...

Coordinates for a High Performance 4:1 Pressure Ratio Centrifugal Compressor

NASA Technical Reports Server (NTRS)

McKain, Ted F.; Holbrook, Greg J.

1997-01-01

The objective of this program was to define the aerodynamic design and manufacturing coordinates for an advanced 4:1 pressure ratio, single stage centrifugal compressor at a 10 lbm/sec flow size. The approach taken was to perform an exact scale of an existing DDA compressor originally designed at a flow size of 3.655 lbm/sec.

Optical/IR Products - Naval Oceanography Portal

Science.gov Websites

are here: Home › USNO › Astrometry › Optical/IR Products USNO Logo USNO Navigation Optical/IR VLBI-based Products Astrometry Information Center Info Optical/IR Products Access to astrometric 2012. A poster paper describing the progress of URAT was presented at the April 2014 DDA meeting in

The numerical simulation on the stability of steep rock slope by DDA

NASA Astrophysics Data System (ADS)

Zhu, Jianye; Xue, Yiguo; Tao, Yufan; Zhang, Kai; Li, Zhiqiang; Zhang, Xuedong; Yang, Ying

2017-05-01

China is a mountainous country, especially in the southwest area. Recently, the variety of geological disasters such as landslides caused by roadway excavation has become a growing concern for our society. Blindly pursuing mining interests without regard for either the environment or residents in the surrounding areas has created a dangerous situation. In recent years, frequent collapses have occurred at Zengzi Rock in Chongqing, especially after torrential rains [1]. This landslide site is a typical example of collapse caused by mine roadway excavations. To study the mechanism of mining slope stability, we conducted a numerical simulation by DDA based on Zengzi Rock in Chongqing, China. The numerical simulation analyzes the slopes under different engineering conditions and rainfall conditions. The results show that the slope has already been changed under the action of its own joints and fissures. After the excavation of the roadway and the rainfall action, this change is drastically increased and the effect is obvious. Through the result graph, we can find that the change of the displacement and stress distribution is obvious, and the simulation results can be great significance to the mining and support of similar mountain conditions.

Gas turbine engines and transmissions for bus demonstration programs. Technical status report, 30 April 1979-31 July 1979

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

Nigro, D.N.

1979-07-01

The quarterly status report covers the period from 30 April 1979 through 31 July 1979 and is a summary of DDA activities for the effort performed on the procurement and delivery of eleven (11) Allison GT 404-4 gas turbine engines and five (5) HT740CT and six (6) V730CT Allison automatic transmissions and the required associated software. The contract requires the delivery of eleven (11) Allison GT 404-4 Industrial Gas Turbine Engines and five (5) HT740CT and six (6) V730CT Allison Automatic Transmissions for the Greyhound and Transit Coaches, respectively. In addition, software items such as cost reports, technical reports, installationmore » drawings, acceptance test data and parts lists are required. A recent decision by the DOE will modify the build configuration for the last four (4) Transit Coach engines. It was decided by the DOE at a meeting in Washington, DC on March 28, 1979 with representatives from DDA, NASA/LeRC, JPL and Booz-Allen and Hamilton that these engines will be built with ceramic regenerators. (TFD)« less

Heteroscedasticity as a Basis of Direction Dependence in Reversible Linear Regression Models.

PubMed

Wiedermann, Wolfgang; Artner, Richard; von Eye, Alexander

2017-01-01

Heteroscedasticity is a well-known issue in linear regression modeling. When heteroscedasticity is observed, researchers are advised to remedy possible model misspecification of the explanatory part of the model (e.g., considering alternative functional forms and/or omitted variables). The present contribution discusses another source of heteroscedasticity in observational data: Directional model misspecifications in the case of nonnormal variables. Directional misspecification refers to situations where alternative models are equally likely to explain the data-generating process (e.g., x → y versus y → x). It is shown that the homoscedasticity assumption is likely to be violated in models that erroneously treat true nonnormal predictors as response variables. Recently, Direction Dependence Analysis (DDA) has been proposed as a framework to empirically evaluate the direction of effects in linear models. The present study links the phenomenon of heteroscedasticity with DDA and describes visual diagnostics and nine homoscedasticity tests that can be used to make decisions concerning the direction of effects in linear models. Results of a Monte Carlo simulation that demonstrate the adequacy of the approach are presented. An empirical example is provided, and applicability of the methodology in cases of violated assumptions is discussed.

Synthesis and Characterization of Water-Soluble Polythiophene Derivatives for Cell Imaging

NASA Astrophysics Data System (ADS)

Wang, Fengyan; Li, Meng; Wang, Bing; Zhang, Jiangyan; Cheng, Yongqiang; Liu, Libing; Lv, Fengting; Wang, Shu

2015-01-01

In this work, four water-soluble polythiophene derivatives (PT, PT-DDA, PT-ADA, and PT-ADA-PPR) with different pendant moieties were synthesized via oxidative copolymerization by FeCl3. By increasing the hydrophobic ability of side chain moieties, there is a gradually blue shift for the maximum absorption wavelength and red shift for the maximum emission wavelength, a reducing trend for fluorescence quantum yields, a growing trend for Stokes shift, and an increasing trend for the mean sizes in the order of PT, PT-ADA, and PT-DDA. All the synthesized polymers show low toxicity and good photostability and accumulate in the lysosomes of A549 cells. Furthermore, the introduction of porphyrin group to PT-ADA side chain (PT-ADA-PPR) broadens the absorption and emission ranges of PT-ADA. PT-ADA-PPR could be excited at two different excitation wavelengths (488 nm and 559 nm) and exhibits two emission pathways, and dual-color fluorescence images (orange and red) of PT-ADA-PPR accumulated in A549 cells are observed. Thus, PT-ADA-PPR could be used as an excellent dual-color fluorescent and lysosome-specific imaging material.

Experimental investigation and DFT calculation of different amine/ammonium salts adsorption on kaolinite

NASA Astrophysics Data System (ADS)

Chen, Jun; Min, Fan-fei; Liu, Lingyun; Liu, Chunfu; Lu, Fangqin

2017-10-01

The adsorption of four different amine/ammonium salts of DDA (Dodecyl amine), MDA (N-methyldodecyl amine), DMDA (N,N-dimethyldodecyl amine) and DTAC (Dodecyl trimethyl ammonium chloride) on kaolinite particles was investigated in the study through the measurement of contact angles, zeta potentials, aggregation observation, adsorption and sedimentation. The results show that different amine/ammonium salts can adsorb on the kaolinite surface to enhance the hydrophobicity and reduce the electronegativity of kaolinite particle surface, and thus induce a strong hydrophobic aggregation of kaolinite particles which promotes the settlement of kaolinite. To explore the adsorption mechanism of these four amine/ammonium salts on kaolinite surfaces, the adsorptions of DDA+, MDA+, DMDA+ and DTAC+ on kaolinite (001) surface and (00 1 bar) surface are calculated with DFT (Density functional theory). The DFT calculation results indicate that different amine/ammonium cations can strongly adsorbed on kaolinite (001) surface and (00 1 bar) surface by forming Nsbnd H⋯O strong hydrogen bonds or Csbnd H⋯O weak hydrogen bonds, and there are strongly electrostatic attractions between different amine/ammonium cations and kaolinite surfaces. The main adsorption mechanism of amine/ammonium cations on kaolinite is hydrogen-bond interaction and electrostatic attraction.

A Basic Approach to the Use of Canonical Variables and Von Zeipel’s Method in Perturbation Theory

DTIC Science & Technology

1964-05-01

derivatives of ~. 1lcnr the part of’ the .olutioD periodic ill L is obtaiDed t.o firat order (i.e., o(t) troa . lqa . (!’f)). H ~(So + ~) I tL𔃼 l L...detent1n1ng S2 •. At thia poi.Dt, the HamiltoDian n* is rrea lqa . (31.) a4 (]6) *< I * * H L ) • H 0 + ~ + ••• , 3 ef2 •kL + + ••• 8k 19 * H2 ~ be...oouic1eriz18 tbe el.aMnta or CODataDtl ot the l1Dear .olaUoa to be tiM variablea. ’Dda vaa expreaae4 l:v lqa . (22) wtlich are repeated below u. ex ( It

Mesoporous Akaganeite of Adjustable Pore Size Synthesized using Mixed Templates

NASA Astrophysics Data System (ADS)

Zhang, Y.; Ge, D. L.; Ren, H. P.; Fan, Y. J.; Wu, L. M.; Sun, Z. X.

2017-12-01

Mesoporous akaganeite with large and adjustable pore size was synthesized through a co-template method, which was achieved by the combined interaction between PEG2000 and alkyl amines with different lengths of the straight carbon chain. The characterized results indicate that the synthesized samples show comparatively narrow BJH pore size distributions and centered at 14.3 nm when PEG and HEPA was used, and it could be enlarged to 16.8 and 19.4 nm respectively through changing the alkyl amines to DDA and HDA. Meanwhile, all the synthesized akaganeite possess relativity high specific surface area ranging from 183 to 281 m2/g and high total pore volume of 0.98 to 1.5 cm3/g. A possible mechanism leading to the pore size changing was also proposed.

Induction of Unconventional T Cells by a Mutant Mycobacterium bovis BCG Strain Formulated in Cationic Liposomes Correlates with Protection against Mycobacterium tuberculosis Infections of Immunocompromised Mice

PubMed Central

Yabe, Idalia; Morris, Sheldon; Cowley, Siobhan

2016-01-01

Earlier studies aimed at defining protective immunity induced by Mycobacterium bovis BCG immunization have largely focused on the induction of antituberculosis CD4+ and CD8+ T cell responses. Here we describe a vaccine consisting of a BCGΔmmaA4 deletion mutant formulated in dimethyl dioctadecyl-ammonium bromide (DDA) with d-(+)-trehalose 6,6′-dibehenate (TDB) (DDA/TDB) adjuvant (A4/Adj) that protected TCRδ−/− mice depleted of CD4+, CD8+, and NK1.1+ T cells against an aerosol challenge with M. tuberculosis. These mice were significantly protected relative to mice immunized with a nonadjuvanted BCGΔmmaA4 (BCG-A4) mutant and nonvaccinated controls at 2 months and 9 months postvaccination. In the absence of all T cells following treatment with anti-Thy1.2 antibody, the immunized mice lost the ability to control the infection. These results indicate that an unconventional T cell population was mediating protection in the absence of CD4+, CD8+, NK1.1+, and TCRγδ T cells and could exhibit memory. Focusing on CD4− CD8− double-negative (DN) T cells, we found that these cells accumulated in the lungs postchallenge significantly more in A4/Adj-immunized mice and induced significantly greater frequencies of pulmonary gamma interferon (IFN-γ)-producing cells than were seen in the nonvaccinated or nonadjuvanted BCG control groups. Moreover, pulmonary DN T cells from the A4/Adj group exhibited significantly higher IFN-γ integrated median fluorescence intensity (iMFI) values than were seen in the control groups. We also showed that enriched DN T cells from mice immunized with A4/Adj could control mycobacterial growth in vitro significantly better than naive whole-spleen cells. These results suggest that formulating BCG in DDA/TDB adjuvant confers superior protection in immunocompromised mice and likely involves the induction of long-lived memory DN T cells. PMID:27226281

Quantum dynamical simulations of local field enhancement in metal nanoparticles.

PubMed

Negre, Christian F A; Perassi, Eduardo M; Coronado, Eduardo A; Sánchez, Cristián G

2013-03-27

Field enhancements (Γ) around small Ag nanoparticles (NPs) are calculated using a quantum dynamical simulation formalism and the results are compared with electrodynamic simulations using the discrete dipole approximation (DDA) in order to address the important issue of the intrinsic atomistic structure of NPs. Quite remarkably, in both quantum and classical approaches the highest values of Γ are located in the same regions around single NPs. However, by introducing a complete atomistic description of the metallic NPs in optical simulations, a different pattern of the Γ distribution is obtained. Knowing the correct pattern of the Γ distribution around NPs is crucial for understanding the spectroscopic features of molecules inside hot spots. The enhancement produced by surface plasmon coupling is studied by using both approaches in NP dimers for different inter-particle distances. The results show that the trend of the variation of Γ versus inter-particle distance is different for classical and quantum simulations. This difference is explained in terms of a charge transfer mechanism that cannot be obtained with classical electrodynamics. Finally, time dependent distribution of the enhancement factor is simulated by introducing a time dependent field perturbation into the Hamiltonian, allowing an assessment of the localized surface plasmon resonance quantum dynamics.

Effects of multiple scattering on radiative properties of soot fractal aggregates

NASA Astrophysics Data System (ADS)

Yon, Jérôme; Liu, Fengshan; Bescond, Alexandre; Caumont-Prim, Chloé; Rozé, Claude; Ouf, François-Xavier; Coppalle, Alexis

2014-01-01

The in situ optical characterization of smokes composed of soot particles relies on light extinction, angular static light scattering (SLS), or laser induced incandescence (LII). These measurements are usually interpreted by using the Rayleigh-Debye-Gans theory for Fractal Aggregates (RDG-FA). RDG-FA is simple to use but it completely neglects the impact of multiple scattering (MS) within soot aggregates. In this paper, based on a scaling approach that takes into account MS effects, an extended form of the RDG-FA theory is proposed in order to take into account these effects. The parameters of this extended theory and their dependency on the number of primary sphere inside the aggregate (1

Tools for beach health data management, data processing, and predictive model implementation

USGS Publications Warehouse

,

2013-01-01

This fact sheet describes utilities created for management of recreational waters to provide efficient data management, data aggregation, and predictive modeling as well as a prototype geographic information system (GIS)-based tool for data visualization and summary. All of these utilities were developed to assist beach managers in making decisions to protect public health. The Environmental Data Discovery and Transformation (EnDDaT) Web service identifies, compiles, and sorts environmental data from a variety of sources that help to define climatic, hydrologic, and hydrodynamic characteristics including multiple data sources within the U.S. Geological Survey and the National Oceanic and Atmospheric Administration. The Great Lakes Beach Health Database (GLBH-DB) and Web application was designed to provide a flexible input, export, and storage platform for beach water quality and sanitary survey monitoring data to compliment beach monitoring programs within the Great Lakes. A real-time predictive modeling strategy was implemented by combining the capabilities of EnDDaT and the GLBH-DB for timely, automated prediction of beach water quality. The GIS-based tool was developed to map beaches based on their physical and biological characteristics, which was shared with multiple partners to provide concepts and information for future Web-accessible beach data outlets.

D1 Receptor Activation in the Mushroom Bodies Rescues Sleep Loss Induced Learning Impairments in Drosophila

PubMed Central

Seugnet, Laurent; Suzuki, Yasuko; Vine, Lucy; Gottschalk, Laura; Shaw, Paul J

2008-01-01

Background Extended wakefulness disrupts acquisition of short term memories in mammals. However, the underlying molecular mechanisms triggered by extended waking and restored by sleep are unknown. Moreover, the neuronal circuits that depend on sleep for optimal learning remain unidentified. Results Learning was evaluated using Aversive Phototaxic Suppression (APS). In this task, flies learn to avoid light that is paired with an aversive stimulus (quinine /humidity). We demonstrate extensive homology in sleep deprivation induced learning impairment between flies and humans. Both 6 h and 12 h of sleep deprivation are sufficient to impair learning in Canton-S (Cs) flies. Moreover, learning is impaired at the end of the normal waking-day in direct correlation with time spent awake. Mechanistic studies indicate that this task requires intact mushroom bodies (MBs) and requires the Dopamine D1-like receptor (dDA1). Importantly, sleep deprivation induced learning impairments could be rescued by targeted gene expression of the dDA1 receptor to the MBs. Conclusion These data provide direct evidence that extended wakefulness disrupts learning in Drosophila. These results demonstrate that it is possible to prevent the effects of sleep deprivation by targeting a single neuronal structure and identify cellular and molecular targets adversely affected by extended waking in a genetically tractable model organism. PMID:18674913

In Vivo and In Vitro Metabolites from the Main Diester and Monoester Diterpenoid Alkaloids in a Traditional Chinese Herb, the Aconitum Species

PubMed Central

Zhang, Min; Peng, Chong-sheng; Li, Xiao-bo

2015-01-01

Diester diterpenoid alkaloids (DDAs), such as aconitine (AC), mesaconitine (MA), and hypaconitine (HA), are both pharmacologically active compounds and toxic ingredients in a traditional Chinese herb, the Aconitum species. Many DDA metabolism studies have been performed to explore mechanisms for reducing toxicity in these compounds and in Aconitum species extracts for safe clinical administration. In this review, we summarize recent progress on the metabolism of toxic AC, MA, and HA and corresponding monoester diterpenoid alkaloids (MDAs) in the gastrointestinal tract and liver in different animal species and humans in vivo and/or in vitro, where these alkaloids are primarily metabolized by cytochrome P450 enzymes, carboxylesterases, and intestinal bacteria, which produces phase I metabolites, ester hydrolysed products, and lipoalkaloids. Furthermore, we classify metabolites detected in the blood and urine, where the aforementioned metabolites are absorbed and excreted. Less toxic MDAs and nontoxic alcohol amines are the primary DDA metabolites detected in the blood. Most other DDAs metabolites produced in the intestine and liver detected in the urine have not been reported in the blood. We propose an explanation for this nonconformity. Finally, taking AC, for instance, we generalize a process of toxicity reduction in the body after oral AC administration for the first time. PMID:25705235

Computer-automated ABCD versus dermatologists with different degrees of experience in dermoscopy.

PubMed

Piccolo, Domenico; Crisman, Giuliana; Schoinas, Spyridon; Altamura, Davide; Peris, Ketty

2014-01-01

Dermoscopy is a very useful and non-invasive technique for in vivo observation and preoperative diagnosis of pigmented skin lesions (PSLs) inasmuch as it enables analysis of surface and subsurface structures that are not discernible to the naked eye. The authors used the ABCD rule of dermoscopy to test the accuracy of melanoma diagnosis with respect to a panel of 165 PSLs and the intra- and inter-observer diagnostic agreement obtained between three dermatologists with different degrees of experience, one General Practitioner and a DDA for computer-assisted diagnosis (Nevuscreen(®), Arkè s.a.s., Avezzano, Italy). 165 Pigmented Skin Lesions from 165 patients were selected. Histopathological examination revealed 132 benign melanocytic skin lesions and 33 melanomas. The kappa statistic, sensitivity, specificity and predictive positive and negative values were calculated to measure agreement between all the human observers and in comparison with the automated DDA. Our results revealed poor reproducibility of the semi-quantitative algorithm devised by Stolz et al. independently of observers' experience in dermoscopy. Nevuscreen(®) (Arkè s.a.s., Avezzano, Italy) proved to be 'user friendly' to all observers, thus enabling a more critical evaluation of each lesion and representing a helpful tool for clinicians without significant experience in dermoscopy in improving and achieving more accurate diagnosis of PSLs.

Pseudotargeted MS Method for the Sensitive Analysis of Protein Phosphorylation in Protein Complexes.

PubMed

Lyu, Jiawen; Wang, Yan; Mao, Jiawei; Yao, Yating; Wang, Shujuan; Zheng, Yong; Ye, Mingliang

2018-05-15

In this study, we presented an enrichment-free approach for the sensitive analysis of protein phosphorylation in minute amounts of samples, such as purified protein complexes. This method takes advantage of the high sensitivity of parallel reaction monitoring (PRM). Specifically, low confident phosphopeptides identified from the data-dependent acquisition (DDA) data set were used to build a pseudotargeted list for PRM analysis to allow the identification of additional phosphopeptides with high confidence. The development of this targeted approach is very easy as the same sample and the same LC-system were used for the discovery and the targeted analysis phases. No sample fractionation or enrichment was required for the discovery phase which allowed this method to analyze minute amount of sample. We applied this pseudotargeted MS method to quantitatively examine phosphopeptides in affinity purified endogenous Shc1 protein complexes at four temporal stages of EGF signaling and identified 82 phospho-sites. To our knowledge, this is the highest number of phospho-sites identified from the protein complexes. This pseudotargeted MS method is highly sensitive in the identification of low abundance phosphopeptides and could be a powerful tool to study phosphorylation-regulated assembly of protein complex.

Comparing Two Independent Satellite-Based Algorithms for Detecting and Tracking Ash Clouds by Using SEVIRI Sensor.

PubMed

Falconieri, Alfredo; Cooke, Michael C; Filizzola, Carolina; Marchese, Francesco; Pergola, Nicola; Tramutoli, Valerio

2018-01-27

The Eyjafjallajökull (Iceland) volcanic eruption of April-May 2010 caused unprecedented air-traffic disruption in Northern Europe, revealing some important weaknesses of current operational ash-monitoring and forecasting systems and encouraging the improvement of methods and procedures for supporting the activities of Volcanic Ash Advisory Centers (VAACs) better. In this work, we compare two established satellite-based algorithms for ash detection, namely RST ASH and the operational London VAAC method, both exploiting sensor data of the spinning enhanced visible and infrared imager (SEVIRI). We analyze similarities and differences in the identification of ash clouds during the different phases of the Eyjafjallajökull eruption. The work reveals, in some cases, a certain complementary behavior of the two techniques, whose combination might improve the identification of ash-affected areas in specific conditions. This is indicated by the quantitative comparison of the merged SEVIRI ash product, achieved integrating outputs of the RST ASH and London VAAC methods, with independent atmospheric infrared sounder (AIRS) DDA (dust-detection algorithm) observations.

Comparing Two Independent Satellite-Based Algorithms for Detecting and Tracking Ash Clouds by Using SEVIRI Sensor

PubMed Central

Cooke, Michael C.; Filizzola, Carolina

2018-01-01

The Eyjafjallajökull (Iceland) volcanic eruption of April–May 2010 caused unprecedented air-traffic disruption in Northern Europe, revealing some important weaknesses of current operational ash-monitoring and forecasting systems and encouraging the improvement of methods and procedures for supporting the activities of Volcanic Ash Advisory Centers (VAACs) better. In this work, we compare two established satellite-based algorithms for ash detection, namely RSTASH and the operational London VAAC method, both exploiting sensor data of the spinning enhanced visible and infrared imager (SEVIRI). We analyze similarities and differences in the identification of ash clouds during the different phases of the Eyjafjallajökull eruption. The work reveals, in some cases, a certain complementary behavior of the two techniques, whose combination might improve the identification of ash-affected areas in specific conditions. This is indicated by the quantitative comparison of the merged SEVIRI ash product, achieved integrating outputs of the RSTASH and London VAAC methods, with independent atmospheric infrared sounder (AIRS) DDA (dust-detection algorithm) observations. PMID:29382058

A Coherent VLSI Design Environment.

DTIC Science & Technology

1986-03-31

Schema were a CMOS sorter and a TTL PC board for gathering statistics from a Multibus. Neither design was completed using Schema, but at least in the...technique for automatically adjusting signal delays in an MOS system has been developed. The Dynamic Delay Adjustment (DDA) technique provides...34Synchronization Reliability in CMOS Technology," IEEE J. of Solid - State Circuits, Vol. SC-20, No. 4, pp. 880-883, 1985. * [8] J. Hohl, W. Larsen and L. Schooley

Modeling and Analysis of Global and Regional Climate Change in Relation to Atmospheric Hydrologic Processes

NASA Technical Reports Server (NTRS)

Johnson, Donald R.

1998-01-01

The goal of this research is the continued development and application of global isentropic modeling and analysis capabilities to describe hydrologic processes and energy exchange in the climate system, and discern regional climate change. This work involves a combination of modeling and analysis efforts involving 4DDA datasets and simulations from the University of Wisconsin (UW) hybrid isentropic-sigma (theta-sigma) coordinate model and the GEOS GCM.

Photochemistry of 1,4-dihydronaphtho(1,8-de)(1,2)diazepine. Preparation and electron spin resonance observation of the unsubstituted 1,8-naphthoquinodimethane

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

Pagni, R.M.; Burnett, M.N.; Dodd, J.R.

1977-03-16

In an attempt to prepare selenated tRNA, transformation of 4-thiouridine to selenouridine in tRNA was attempted. Feasibility studies were performed by spectrophotometrically monitored conversion of 1 methyl-4- thiocyanatouracil to 1-methyl-4-selenouracil by NaHSe. E.coli mixed tRNA were exposed to the same sequence of reactions and the identity of the products was confirmed. (DDA)

Neutron-scattering spectrum of cesium hydrogen dinitrate

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

Roziere, J.; Berney, C.V.

1976-03-17

The neutron-scattering spectrum of cesium hydrogen dinitrate was obtained in order to complete previously reported structural chemical studies obtained by x-ray diffraction and infrared-Raman spectra. The proton position was of particular interest. Satellite peak intensities suggested proton coupling to motions of the NO/sub 3//sup -/ groups, and therefore not located at the center of the distorted tetrahedron formed by four of the oxygen groups. The precise position of the proton was not established. (DDA)

Chlamydia trachomatis serovar distribution and other sexually transmitted coinfections in subjects attending an STD outpatients clinic in Italy.

PubMed

Marangoni, Antonella; Foschi, Claudio; Nardini, Paola; D'Antuono, Antonietta; Banzola, Nicoletta; Di Francesco, Antonietta; Ostanello, Fabio; Russo, Incoronata; Donati, Manuela; Cevenini, Roberto

2012-04-01

We studied the prevalence of Chlamydia trachomatis (CT) urogenital infection and the distribution of different genotypes in a non-selected STD population of 1625 patients, evaluating presence of coinfections with other sexually transmitted diseases. Each patient was bled to perform serological tests for syphilis and HIV, then urethral or endocervical swabs were obtained for the detection of CT and Neisseria gonorrhoeae by culture. DNA extracted from remnant positive swabs was amplified by omp1 Nested PCR and products were sequenced. Total prevalence of CT infection was 6.3% (103/1625), with strong differences between men and women (11.4% vs 3.9%, P<0.01). Clinical symptoms and coinfections were much more frequent in men than in women (P<0.01). The most common serovar was E (prevalence of 38.8%), followed by G (23.3%), F (13.5%) D/Da (11.6%) and J (4.8%). Serovars distribution was statistically different between men and women (P=0.042) and among patients with or without coinfection (P=0.035); patients infected by serovar D/Da showed the highest coinfection rate. This study can be considered a contribution in increasing knowledge on CT serovar distribution in Italy. Further studies are needed to better define molecular epidemiology of CT infection and to investigate its correlation with other STDs.

Structure Dependence of Lysosomal Transit of Chitosan-Based Polyplexes for Gene Delivery.

PubMed

Thibault, Marc; Lavertu, Marc; Astolfi, Mélina; Buschmann, Michael D

2016-10-01

Chitosan-based polyplexes are known to traffic through lysosomes for a relatively long time, independent of the degree of deacetylation (DDA) and the number average molecular weight (Mn) of the polymer, even though both of these parameters have profound effects on polyplex stability and transfection efficiency. A better understanding of the lysosomal barrier is paramount to the rational design of vectors capable of overcoming obstacles to transgene expression. The aim of the present study was to investigate if lysosomal transit affects chitosan-based polyplex transfection efficiency in a structure-dependent (DDA, Mn) manner. Toward this end, we analyzed the effects of intracellular trafficking modifying agents on transfection efficiency and intracellular vesicular trafficking of polyplexes with different structural properties and stabilities or nucleic acid binding affinity. The use of agents that modify endosome/lysosome acidification and transit processes by distinct mechanisms and their effect on cell viability, polyplex uptake, vesicular trafficking, and transfection efficiency revealed novel and strong chitosan structure-dependent consequences of lysosomal transit. Inhibiting lysosomal transit using chloroquine significantly increased the efficiency of unstable polyplexes, while having minimal effects for polyplexes with intermediate or high stability. In parallel, specifically inhibiting the acidification of vesicles abrogated transfection for all formulations, suggesting that vesicular acidification is essential to promote transfection, most probably by facilitating lysosomal escape. These results provide novel insights into the structure-performance relationship of chitosan-based gene delivery systems.

Interactions of Enolizable Barbiturate Dyes.

PubMed

Schade, Alexander; Schreiter, Katja; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan

2016-04-11

The specific barbituric acid dyes 1-n-butyl-5-(2,4-dinitro-phenyl) barbituric acid and 1-n-butyl-5-{4-[(1,3-dioxo-1H-inden-(3 H)-ylidene)methyl]phenyl}barbituric acid were used to study complex formation with nucleobase derivatives and related model compounds. The enol form of both compounds shows a strong bathochromic shift of the UV/Vis absorption band compared to the rarely coloured keto form. The keto-enol equilibria of the five studied dyes are strongly dependent on the properties of the environment as shown by solvatochromic studies in ionic liquids and a set of organic solvents. Enol form development of the barbituric acid dyes is also associated with alteration of the hydrogen bonding pattern from the ADA to the DDA type (A=hydrogen bond acceptor site, D=donor site). Receptor-induced altering of ADA towards DDA hydrogen bonding patterns of the chromophores are utilised to study supramolecular complex formation. As complementary receptors 9-ethyladenine, 1-n-butylcytosine, 1-n-butylthymine, 9-ethylguanidine and 2,6-diacetamidopiridine were used. The UV/Vis spectroscopic response of acid-base reaction compared to supramolecular complex formation is evaluated by (1)H NMR titration experiments and X-ray crystal structure analyses. An increased acidity of the barbituric acid derivative promotes genuine salt formation. In contrast, supramolecular complex formation is preferred for the weaker acidic barbituric acid. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An Analysis of Enzyme Kinetics Data for Mitochondrial DNA Strand Termination by Nucleoside Reverse Transcription Inhibitors

PubMed Central

Wendelsdorf, Katherine V.; Song, Zhuo; Cao, Yang; Samuels, David C.

2009-01-01

Nucleoside analogs used in antiretroviral treatment have been associated with mitochondrial toxicity. The polymerase-γ hypothesis states that this toxicity stems from the analogs' inhibition of the mitochondrial DNA polymerase (polymerase-γ) leading to mitochondrial DNA (mtDNA) depletion. We have constructed a computational model of the interaction of polymerase-γ with activated nucleoside and nucleotide analog drugs, based on experimentally measured reaction rates and base excision rates, together with the mtDNA genome size, the human mtDNA sequence, and mitochondrial dNTP concentrations. The model predicts an approximately 1000-fold difference in the activated drug concentration required for a 50% probability of mtDNA strand termination between the activated di-deoxy analogs d4T, ddC, and ddI (activated to ddA) and the activated forms of the analogs 3TC, TDF, AZT, FTC, and ABC. These predictions are supported by experimental and clinical data showing significantly greater mtDNA depletion in cell culture and patient samples caused by the di-deoxy analog drugs. For zidovudine (AZT) we calculated a very low mtDNA replication termination probability, in contrast to its reported mitochondrial toxicity in vitro and clinically. Therefore AZT mitochondrial toxicity is likely due to a mechanism that does not involve strand termination of mtDNA replication. PMID:19132079

Constraining ground motion parameters and determining the historic earthquake that damaged the vaults underneath the Old City of Jerusalem

NASA Astrophysics Data System (ADS)

Yagoda-Biran, G.; Hatzor, Y. H.

2013-12-01

Evidence for seismically induced damage are preserved in historic masonry structures below the Old City of Jerusalem at a site known locally as the 'Western Wall Tunnels' complex, possibly one of the most important tourist attractions in the world. In the tunnels, structures dated to 500 BC and up until modern times have been uncovered by recent archeological excavation. One of the interesting findings is a 100 m long bridge, composed of two rows of barrel vaults, believed to have been constructed during the 3rd century AD to allow easy access to the Temple Mount. In one of the vaults a single masonry block is displaced 7 cm downward with respect to its neighbors (see figure below). Since the damage seems seismically driven, back analysis of the damage with the numerical Discontinuous Deformation Analysis (DDA) method was performed, in order to constrain the peak ground acceleration (PGA) that had caused the damage. First the numerical method used for back analysis was verified with an analytical solution for the case of a rocking monolithic column, then validated with experimental results for site response analysis. The verification and validation prove the DDA is capable of handling dynamic and wave propagation problems. Next, the back analysis was performed. Results of the dynamic numerical simulations suggest that the damage observed at the vault was induced by seismic vibrations that must have taken place before the bridge was buried underground, namely when it was still in service. We find that the PGA required for causing the observed damage was high - between 1.5 and 2 g. The PGA calculated for Jerusalem on the basis of established attenuation relationships for historic earthquakes that struck the region during the relevant time period is about one order of magnitude lower: 0.14 and 0.48 g, for the events that took place at 362 and 746 AD, respectively. This discrepancy is explained by local site effects that must have amplified bedrock ground motions by a factor of up to 10. This result clearly illustrates the significance of incorporating local site effects when assessing the seismic hazard associated with specific regions in general, and particularly in cities where soft layers separate between the bedrock and the ground surface. The displaced block in Vault 21 in the Western Wall Tunnels.

Comparative Study of Four Membranes for Evaluation of New Insect/Arthropod Repellents Using Aedes aegypti

DTIC Science & Technology

2008-01-01

market and had no plans to continuously provide the membranes. Thus, in an effort to find an alternative iu t•itro membrane test system, our initial...Professional: R Chandra Sekhar Junior SponsoriDg Editor: Nimisha Gorwami Manager-sales & Marketing : S Girish Controller-Production: Rajender P Ghansela...DDA Market , Paschim Vihar, New Delhi 110 063, and printed at Sai Printo Pack Pvt. Ltd., A-102/4, Okhla Industrial Area, Phase II. New Delhi 110 020

Deployment Area Selection and Land Withdrawal/Acquisition. M-X/MPS (M-X/Multiple Protective Shelter) Environmental Technical Report. Economic Model.

DTIC Science & Technology

1981-10-02

Estimated non-residential building development . 176 D-I Correspondence between RIMS sectors and 1974 Census of Agriculture reporting categories. 185 D-2...deployment would be the development of new economic sectors . For example, building an M-X operating N.’ base or DDA facilities in a county would be likely...construction sectors . For the rural Nevada/Utah ROI counties, many of these location quotients are significantly less than one and in many cases zero because

Development and Application of a Tendon Prosthesis for Early Functional Restoration of the Hand.

DTIC Science & Technology

1975-09-01

F’A-AOk 322 JEFFERSON MEDICAL COLL PHILADELPHIA PA F/B 6/5 DEVELOPMENT AND APPLICATION OF A TENDON PROSTHESIS FOR EARLY FU--ETC(U) SEP 75 J M HUNTER...LEVEL INVENTORY DEELOPKWTI AND APPLICATION OF A TENDON PROSTHESIS FOR EARLY FUNCTIOKAL RESTORATION OF THE RAND BIDETICATION DISTRIBUTION STATEMENT A...AND RETURN TO DTIC-DDA-2 FORM DOCUMENT PROCESSING SHEETCToc 79 0 AD DEVELOPNDT AND APPLICATION OF A TENDOR PROSTHESIS FOR EARLY FUNCTIONAL

Electron Energy-Loss Spectroscopy (EELS)Calculation in Finite-Difference Time-Domain (FDTD) Package: EELS-FDTD

NASA Astrophysics Data System (ADS)

Large, Nicolas; Cao, Yang; Manjavacas, Alejandro; Nordlander, Peter

2015-03-01

Electron energy-loss spectroscopy (EELS) is a unique tool that is extensively used to investigate the plasmonic response of metallic nanostructures since the early works in the '50s. To be able to interpret and theoretically investigate EELS results, a myriad of different numerical techniques have been developed for EELS simulations (BEM, DDA, FEM, GDTD, Green dyadic functions). Although these techniques are able to predict and reproduce experimental results, they possess significant drawbacks and are often limited to highly symmetrical geometries, non-penetrating trajectories, small nanostructures, and free standing nanostructures. We present here a novel approach for EELS calculations using the Finite-difference time-domain (FDTD) method: EELS-FDTD. We benchmark our approach by direct comparison with results from the well-established boundary element method (BEM) and published experimental results. In particular, we compute EELS spectra for spherical nanoparticles, nanoparticle dimers, nanodisks supported by various substrates, and gold bowtie antennas on a silicon nitride substrate. Our EELS-FDTD implementation can be easily extended to more complex geometries and configurations and can be directly implemented within other numerical methods. Work funded by the Welch Foundation (C-1222, L-C-004), and the NSF (CNS-0821727, OCI-0959097).

Divergent mechanisms of insulin-like growth factor I and II on rat hepatocyte proliferation.

PubMed

Raper, S; Kothary, P; Ishoo, E; Dikin, M; Kokudo, N; Hashimoto, M; DeMatteo, R P

1995-07-21

Insulin-like growth factors I and II are peptides with a structural homology for proinsulin, and are involved in hepatocyte proliferation. IGF-I and IGF-II, however, have different metabolic roles, and their mechanisms of action are incompletely known. We hypothesized that IGF-I and IGF-II act by different signal transduction pathways. To test this hypothesis, hepatocytes from 200 g male Sprague-Dawley rats were isolated by a two-step collagenase perfusion technique and plated at a density of 10(5) cells/16 mm Primaria plate. Proliferation was measured by [3H]thymidine ([3H]thy) incorporation into DNA, and an autoradiographic nuclear labeling index (LI). To analyze signal transduction, cyclic AMP (cAMP) levels were measured 5 min after addition of reagents by a radioimmunoassay. Reagents (doses) used were: IGF-I (2 nM), IGF-II (2 nM), the inhibitory peptide somatostatin-14 (SS14) (10 nM), and the adenylyl cyclase antagonist dideoxyadenosine (DDA) (10 microM). A summary of the findings is as follows: (1) IGF-I stimulates [3H]thy, LI and cAMP accumulation. (2) IGF-II stimulates [3H]thy and LI but not cAMP; (3) IGF-I but not IGF-II effects are inhibited by SS14 and DDA. We conclude that the hepatotrophic effects of IGF-I and IGF-II occur by different mechanisms: IGF-I is cAMP-dependent, IGF-II is cAMP-independent.

What are the effects of anti-discriminatory legislation on socioeconomic inequalities in the employment consequences of ill health and disability?

PubMed

Bambra, Clare; Pope, Daniel

2007-05-01

To investigate how anti-discrimination legislation in the form of the UK Disability Discrimination Act (DDA) affected socioeconomic disparities in the employment rates of people with a limiting long-term illness (LLTI) or disability. National cross-sectional data on employment rates for people with and without an LLTI or disability were obtained from the General Household Survey (GHS) for a 14-year period (1990-2003; 12 surveys). Representative population samples were analysed. The sample size for the GHS over the study period ranged from 19,193 to 24,657 and the average response rate ranged from 72% to 82%. Age-standardised employment rates for individuals with and without an LLTI or disability, analysed by sex and socioeconomic status. Analysis of covariance identified that the DDA had had a negative effect on employment rates for individuals with an LLTI or disability during the study period. This negative effect was found to be differential according to social class ranging from no effect in social classes I and II (-2.86%, 95% CI -8.7% to 2.99%), increasing with social class group, to a highly significant effect in social classes IV and V (-10.7%, 95% CI -6.16% to -15.24%). No differential effect was identified by sex. Anti-discriminatory legislation is not an effective way of overcoming the employment consequences of ill health and disability, nor is it a useful public policy tool in terms of reducing inequalities.

Adsorption of bis(2-hydroxy-3-chloropropyl) dodecylamine on quartz surface and its implication on flotation

NASA Astrophysics Data System (ADS)

Liu, Wengang; Liu, Wenbao; Dai, Shujuan; Wang, Benying

2018-06-01

In order to clarify the effect of polar group modification on flotation performance of amine collector, flotation properties of quartz and hematite using bis(2-hydroxy-3-chloropropyl) dodecylamine (N23) as a collector were investigated. And the adsorption mechanism of N23 on quartz surface was established by zeta potential measurements, SEM/EDS measurements, and molecular structure analysis. Single mineral flotation results indicated that N23 showed stronger collecting ability on quartz and hematite than DDA-CH3COOH. However, starch could depress the flotation of hematite. Flotation recovery of 98.10% for quartz could be achieved, when N23 concentration was 43.33 mg/L and starch concentration was 16.67 mg/L at natural slurry pH. Separation of artificially mixed minerals of hematite and quartz was achieved effectively using N23 as the collector. The optimized separation result with 66.29% iron grade and 90.06% iron recovery in concentrate was obtained when slurry pH was 7.34 with 43.33 mg/L N23 and 23.33 mg/L starch. The interaction energies of N23 with mineral surface also showed well consistency with flotation results. SEM/EDS analyses and zeta potential measurements revealed that N23 could absorb on quartz surface in the forms of strong electrostatic and hydrogen bonding interaction. Compared with DDA, N23 had a higher HLB value and better water-solubility, which resulted in better dispersion in water and stronger adsorption on mineral surface.

SU-E-J-97: Pretreatment Test and Post-Treatment Evaluation for Iso-NTCP Dose Guided Adapive Radiotherapy (DGART), Experience with Prostate Cancer Patients Treated with Rectal Balloons

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

Yu, J; Thomas Jefferson UniversityHospital, Philadelphia, PA; Hardcastle, N

Purpose: To explore the feasibility of pretreatment test for iso-NTCP DGART and to compare the pretreatment test results with post-treatment evaluations. Methods: NTCP here refers to late rectal wall toxicity only and is calculated with the ring rectal wall DVH. Simulation for one time iso- NTCP DGART starts after half of the total dose was done for 10 patients to investigate if TCP gains could be achieved. Six patients were treated using a 12-fraction 4.3Gy technique and four using 16-fraction 3.63Gy technique. For each of the 12-fraction cases a VMAT plan was generated in Pinnacle3™ using the daily CT obtainedmore » prior to the 6th fraction. A pretreatment simulation was performed using only the first 6 daily CTs. The idea is to add the 6 original plan delivered doses with 6 DGART plan delivered doses by deformable dose accumulation (DDA) on each of the first 6 CTs, resulting in 6 rectal wall doses (RWDs) and NTCPs. The 95% confidence interval (95%CI) for the 6 NTCPs were computed.The posttreatment evaluation was done by: a) copy the DGART plan to 6 CTs for fraction 7–12 and calculate the 6 actual DGART delivered fractional doses; b) sum the 6 actual DGART doses with the 6 original plan delivered doses by DDA on each of the 12 CTs resulting in 12 post-treatment RWDs and NTCPs; c) boxplot the 12 post-treatment NTCPs. Results: Target dose gain is 0.76–1.93 Gy. The 95%CI widths of the pretreatment tests NTCPs were 1.1–2.7%. For 5 patients, the planned NTCP fell within the 95%CI. For 4 patients, the planned NTCP was lower than the 95%CI lines. Post-treatment results show that for 7 patients, the upper quartile was within the 95%CI; for 2 patients, the upper quartile were higher than the 95%CI. Conclusion: The pretreatment test yields conservative prediction of the actual delivered NTCP.« less

Fiscal Year (FY) 2001 Budget Estimates. Army National Guard. Military Construction Program FY 2001. Justification Data Submission to Congress. Department of the Army.

DTIC Science & Technology

2000-02-01

CONSIDERATIONS ix-xx FUTURE YEARS DEFENSE PLAN AUDIT TRAIL xxi-xxiii PROJECT JUSTIFICATION DOCUMENTS 1-149 PLANNING & DESIGN JUSTIFICATION DOCUMENT 15 0...OUTSTANDING POLUTION AND SAFETY DEFICIENCIES: DDl°™1390s2 MAY 78 1. COMPONENT FY 2001 GUARD AND RESERVE 2. DATE ARNG MILITARY CONSTRUCTION FEB00 3...TOTAL 36 286 13 MAJOR EQUIPMENT AND AIRCRAFT TYPE AUTHORIZED ASSIGNED 14. OUTSTANDING POLUTION AND SAFETY DEFICIENCIES: DD:A O™1390S2 1

Propagation Model (0.1 to 20 GHz) Extensions for 1977 Computer Programs

DTIC Science & Technology

1978-05-01

antenna versus path dis- tance or central angle for time availabilities S, 50. and 95 percent. I’Oucr. dCnsz-it% 17-19 ATOA Similar to above. but with...separation for a fixeddeie aii-orc le- distance, and time avilabilities of 5, So, and 95 1 percent. 4 2 L W~M ~Y 7IMSUB𔃻’T TO DDA S.. Table 1. Plotting...altitude versus distance plane for a fixed station separation and time availabilities of 5, 50, and 95 percent. Signal ratio contours 38-9 IXIRATA Cntours

Characterization of the relationship of the cure cycle chemistry to cure cycle processing properties

NASA Technical Reports Server (NTRS)

Kranbuehl, D. E.

1985-01-01

Dynamic dielectric analysis (DDA) is used to study curing polymer systems and thermoplastics. Measurements are made over a frequency range of six decades. This wide range of frequencies increases the amount of information which can be obtained. The data is analyzed in terms of the frequency dependence of the complex permittivity epsilon sup *, specific conductivity sigma (ohm/cm) and the relaxation time tau, parameters which are characteristic of the cure state of the material and independent of the size of the sample.

Scaling Issues Between Plot and Satellite Radiobrightness Observations of Arctic Tundra

NASA Technical Reports Server (NTRS)

Kim, Edward J.; England, Anthony W.; Judge, Jasmeet; Zukor, Dorothy J. (Technical Monitor)

2000-01-01

Data from generation of satellite microwave radiometer will allow the detection of seasonal to decadal changes in the arctic hydrology cycle as expressed in temporal and spatial patterns of moisture stored in soil and snow This nw capability will require calibrated Land Surface Process/Radiobrightness (LSP/R) model for the principal terrains found in the circumpolar Arctic. These LSP/R models can than be used in weak constraint. Dimensional Data Assimilation (DDA)of the daily satellite observation to estimate temperature and moisture profiles within the permafrost in active layer.

History of DCAS 1961. Volume V. Origins of the USAF Space Program 1945-1956

DTIC Science & Technology

1961-01-01

AVAILABILITY CODES N! _______________ PHOTOGRAPH TIS SHEET AND RETURN TO DTIC-DDA-2 FORM DOCUMENT PROCESSING SHEE~~DTIC OC 970A OCT 79 AFSC HISTORICAL I...IZ ION OR HIGHER A THO ITY IN T E DI ECT LI COMMAN SIi Prepredundr te poviion ofAirFore Rgultio 21-1 nd ir ori i Sytem ComandSuplemnt N. Itheetoas...information as it appears in the narrative. It is to be hoped that additional information bearing on the formative years of the space program will appear as a

Thin silica shell coated Ag assembled nanostructures for expanding generality of SERS analytes

PubMed Central

Kang, Yoo-Lee; Lee, Minwoo; Kang, Homan; Kim, Jaehi; Pham, Xuan-Hung; Kim, Tae Han; Hahm, Eunil; Lee, Yoon-Sik; Jeong, Dae Hong

2017-01-01

Surface-enhanced Raman scattering (SERS) provides a unique non-destructive spectroscopic fingerprint for chemical detection. However, intrinsic differences in affinity of analyte molecules to metal surface hinder SERS as a universal quantitative detection tool for various analyte molecules simultaneously. This must be overcome while keeping close proximity of analyte molecules to the metal surface. Moreover, assembled metal nanoparticles (NPs) structures might be beneficial for sensitive and reliable detection of chemicals than single NP structures. For this purpose, here we introduce thin silica-coated and assembled Ag NPs (SiO2@Ag@SiO2 NPs) for simultaneous and quantitative detection of chemicals that have different intrinsic affinities to silver metal. These SiO2@Ag@SiO2 NPs could detect each SERS peak of aniline or 4-aminothiophenol (4-ATP) from the mixture with limits of detection (LOD) of 93 ppm and 54 ppb, respectively. E-field distribution based on interparticle distance was simulated using discrete dipole approximation (DDA) calculation to gain insight into enhanced scattering of these thin silica coated Ag NP assemblies. These NPs were successfully applied to detect aniline in river water and tap water. Results suggest that SiO2@Ag@SiO2 NP-based SERS detection systems can be used as a simple and universal detection tool for environment pollutants and food safety. PMID:28570633

Tunable plasmonic properties of Ag-Fe nanoparticles

NASA Astrophysics Data System (ADS)

Bhatia, Pradeep; Verma, S. S.; Sinha, M. M.

2018-05-01

Compatibility problems with electronic processes, limited availability and the high cost of noble metals motivate towards the search of alternative materials to enhance the suitability and efficiency of plasmonic based devices. Alloy or coated bimetallic material configuration is an attractive way to engineer a system possessing tuneable plasmonic properties. Magneto-plasmonic nanoparticles (MPNPs) present the possibility to exhibit their tuneable magnetic and optical properties with extensive applications. We studied the optical properties of Ag-Fe alloy for different compositions. The Localised Surface Plasmon Resonance (LSPR) tunability of Agx-Fe1-x (x = 0.25, 0.50 and 0.75) alloy for nanospheres has been calculated by using Discrete Dipole Approximation (DDA) simulation technique. It is found that absorption and scattering efficiencies of Ag-Fe alloy are found in near ultra violet and visible region of electromagnetic spectrum. Large LSPR shift has been observed in absorption and scattering efficiencies peak for 40 nm and 80 nm size of nanospheres alloys. It is concluded that the LSPR can be tuned by changing nanoparticle size and the alloy composition. Results of the plasmonics properties for Ag-Fe alloy at wavelength 330-545nm (absorption) and 331-507nm (scattering) will open the avenues for new applications in optical imaging, biomedical fields particularly in (calorimetric)-DNA, pentose's, proteins (absorption) and plasmonic-enhanced spectroscopies/spectrometer devices (scattering) for determination of optical densities of cell cultures.

Nanoparticle-Enhanced Silver-Nanowire Plasmonic Electrodes for High-Performance Organic Optoelectronic Devices.

PubMed

Kim, Taehyo; Kang, Saewon; Heo, Jungwoo; Cho, Seungse; Kim, Jae Won; Choe, Ayoung; Walker, Bright; Shanker, Ravi; Ko, Hyunhyub; Kim, Jin Young

2018-05-21

Improved performance in plasmonic organic solar cells (OSCs) and organic light-emitting diodes (OLEDs) via strong plasmon-coupling effects generated by aligned silver nanowire (AgNW) transparent electrodes decorated with core-shell silver-silica nanoparticles (Ag@SiO 2 NPs) is demonstrated. NP-enhanced plasmonic AgNW (Ag@SiO 2 NP-AgNW) electrodes enable substantially enhanced radiative emission and light absorption efficiency due to strong hybridized plasmon coupling between localized surface plasmons (LSPs) and propagating surface plasmon polaritons (SPPs) modes, which leads to improved device performance in organic optoelectronic devices (OODs). The discrete dipole approximation (DDA) calculation of the electric field verifies a strongly enhanced plasmon-coupling effect caused by decorating core-shell Ag@SiO 2 NPs onto the AgNWs. Notably, an electroluminescence efficiency of 25.33 cd A -1 (at 3.2 V) and a power efficiency of 25.14 lm W -1 (3.0 V) in OLEDs, as well as a power conversion efficiency (PCE) value of 9.19% in OSCs are achieved using hybrid Ag@SiO 2 NP-AgNW films. These are the highest values reported to date for optoelectronic devices based on AgNW electrodes. This work provides a new design platform to fabricate high-performance OODs, which can be further explored in various plasmonic and optoelectronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Customized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow.

PubMed

Chen, Gengbo; Walmsley, Scott; Cheung, Gemmy C M; Chen, Liyan; Cheng, Ching-Yu; Beuerman, Roger W; Wong, Tien Yin; Zhou, Lei; Choi, Hyungwon

2017-05-02

Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions together with their precursor ions. This precursor-fragment ion map in a comprehensive MS/MS spectral library is crucial for relative quantification of fragment ions uniquely representative of each precursor ion. However, existing reference libraries are not sufficient for this purpose since the fragmentation patterns of small molecules can vary in different instrument setups. Here we developed a bioinformatics workflow called MetaboDIA to build customized MS/MS spectral libraries using a user's own data dependent acquisition (DDA) data and to perform MS/MS-based quantification with DIA data, thus complementing conventional MS1-based quantification. MetaboDIA also allows users to build a spectral library directly from DIA data in studies of a large sample size. Using a marine algae data set, we show that quantification of fragment ions extracted with a customized MS/MS library can provide as reliable quantitative data as the direct quantification of precursor ions based on MS1 data. To test its applicability in complex samples, we applied MetaboDIA to a clinical serum metabolomics data set, where we built a DDA-based spectral library containing consensus spectra for 1829 compounds. We performed fragment ion quantification using DIA data using this library, yielding sensitive differential expression analysis.

An integrated strategy to improve data acquisition and metabolite identification by time-staggered ion lists in UHPLC/Q-TOF MS-based metabolomics.

PubMed

Wang, Yang; Feng, Ruibing; He, Chengwei; Su, Huanxing; Ma, Huan; Wan, Jian-Bo

2018-08-05

The narrow linear range and the limited scan time of the given ion make the quantification of the features challenging in liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics with the full-scan mode. And metabolite identification is another bottleneck of untargeted analysis owing to the difficulty of acquiring MS/MS information of most metabolites detected. In this study, an integrated workflow was proposed using the newly established multiple ion monitoring mode with time-staggered ion lists (tsMIM) and target-directed data-dependent acquisition with time-staggered ion lists (tsDDA) to improve data acquisition and metabolite identification in UHPLC/Q-TOF MS-based untargeted metabolomics. Compared to the conventional untargeted metabolomics, the proprosed workflow exhibited the better repeatability before and after data normalization. After selecting features with the significant change by statistical analysis, MS/MS information of all these features can be obtained by tsDDA analysis to facilitate metabolite identification. Using time-staggered ion lists, the workflow is more sensitive in data acquisition, especially for the low-abundant features. Moreover, the metabolites with low abundance tend to be wrongly integrated and triggered by full scan-based untargeted analysis with MS E acquisition mode, which can be greatly improved by the proposed workflow. The integrated workflow was also successfully applied to discover serum biosignatures for the genetic modification of fat-1 in mice, which indicated its practicability and great potential in future metabolomics studies. Copyright © 2018 Elsevier B.V. All rights reserved.

Operation Upshot-Knothole, Nevada Proving Ground, March-June 1953. Projects 23.4-23.14 and 23.16. Genetic Effects of Fast Neutrons from Nuclear Detonations,

DTIC Science & Technology

1954-01-01

THIS SHEET AND RETURN TO DTIC-DDA-2 FORM DOCUMENT PROCESSING SHEET DTIC oct79 70A OCT. 79 11 0 0 0 r/ WT-820 This document consists of 86 Pages No...mutation curve with no lower limit.2 In addition, there is a dose-related recovery process for physiological effects of lrradaticn by chronic or repeated...individual formed by reproductive processes may be expected to show in all its cells whatever genetic effects the ionizations have produced. 9,1w The

Laboratory light scattering measurements on "natural" particles with the PROGRA2 experiment: an overview

NASA Astrophysics Data System (ADS)

Hadamcik, E.; Rrenard, J.; Levasseur-Regourd, A. C.; Worms, J. C.

Polarimetric phase curves were obtained with the PROGRA2 instrument for different particles: glass beads, polyhedral solids, rough particles, dense aggregates and aggregates with porosity higher than 90 %. The main purpose of these measurements is to build a large database, which allows interpreting remote sensing observations of solar system bodies. For some samples numerical or experimental models (i.e. DDA, stochastically built particles, microwave analogue) and laboratory experiments are compared to better disentangle the involved physical properties. This paper gives some main results of the experiment, and their applications to Earth atmosphere, comets and asteroids.

Twinning of dodecanedicarboxylic acid

NASA Technical Reports Server (NTRS)

Sen, R.; Wilcox, W. R.

1986-01-01

Twinning of 1,10-dodecanedicarboxyl acid (DDA) was observed in 0.1 mm thick films with a polarizing microscope. Twins originated from polycrystalline regions which tended to nucleate on twin faces, and terminated by intersection gone another. Twinning increased dramatically with addition of organic compounds with a similar molecular size and shape. Increasing the freezing rate, increasing the temperature gradient, and addition of silica particles increased twinning. It is proposed that twins nucleate with polycrystals and sometimes anneal out before they become observable. The impurities may enhance twinning either by lowering the twin energy or by adsorbing on growing faces.

Regional aortic distensibility and its relationship with age and aortic stenosis: a computed tomography study.

PubMed

Wong, Dennis T L; Narayan, Om; Leong, Darryl P; Bertaso, Angela G; Maia, Murilo G; Ko, Brian S H; Baillie, Timothy; Seneviratne, Sujith K; Worthley, Matthew I; Meredith, Ian T; Cameron, James D

2015-06-01

Aortic distensibility (AD) decreases with age and increased aortic stiffness is independently associated with adverse cardiovascular outcomes. The association of severe aortic stenosis (AS) with AD in different aortic regions has not been evaluated. Elderly subjects with severe AS and a cohort of patients without AS of similar age were studied. Proximal aortic cross-sectional-area changes during the cardiac cycle were determined using retrospective-ECG-gating on 128-detector row computed-tomography. Using oscillometric-brachial-blood-pressure measurements, the AD at the ascending-aorta (AA), proximal-descending-aorta (PDA) and distal-descending-aorta (DDA) was determined. Linear mixed effects modelling was used to determine the association of age and aortic stenosis on regional AD. 102 patients were evaluated: 36 AS patients (70-85 years), 24 AS patients (>85 years) and 42 patients without AS (9 patients <50 years, 20 patients between 51-70 years and 13 patients 70-85 years). When comparing patients 70-85 years, AA distensibility was significantly lower in those with AS compared to those without AS (0.9 ± 0.9 vs. 1.4 ± 1.1, P = 0.03) while there was no difference in the PDA (1.0 ± 1.1 vs. 1.0 ± 1.2, P = 0.26) and DDA (1.1 ± 1.2 vs. 1.2 ± 0.8, P = 0.97). In patients without AS, AD decreased with age in all aortic regions (P < 0.001). The AA in patients <50 years were the most distensible compared to other aortic regions. There is regional variation in aortic distensibility with aging. Patients with aortic stenosis demonstrated regional differences in aortic distensibility with lower distensibility demonstrated in the proximal ascending aorta compared to an age-matched cohort.

The Dangerous Drugs Act Amendment in Jamaica: Reviewing goals, implementation, and challenges.

PubMed

Davenport, Steven; Pardo, Bryce

2016-11-01

After decades of internal discussion, the Government of Jamaica recently amended its laws to create a regulated and licensed cannabis industry for medical and scientific purposes. The new law also decriminalizes personal possession and use of cannabis; allows cannabis to be used by individuals for religious, medical, scientific and therapeutic purposes; and permits home cultivation of up to five plants. We first describe the statutory changes under the Dangerous Drugs (Amendment) Act of 2015 and compare it with other jurisdictions. We provide an analytical framework for understanding how the DDA Amendment affects key populations and achieves its stated goals, drawing on publicly available information and unstructured interviews with non-governmental stakeholders in Jamaica. The Amendment's primary goals are to deliver economic impact and reduce criminal justice costs. A relaxed policy of enforcement toward possession and use seems to have occurred even before the law's passage; after the law's passage, enforcement remains limited. To access medical cannabis under the DDA residents must receive authorization from a certified health professional in Jamaica; tourists may self-declare their medical need; and Rastafarians may grow and exchange non-commercially for religious purposes. Internally, many see "ganja" as an industry sorely needed to drive economic growth in Jamaica. Indeed, the potential impacts could be large, especially if Jamaica draws additional tourism or creates a viable export industry. A growing cannabis-related tourism industry seems more realistic. We maintain that policymakers and observers should proceed in an orderly fashion, continuing to identify and resolve remaining uncertainties, initiate new types of data collection, and make decisions based on realistic assessments of potentials for economic impact. Copyright © 2016 Elsevier B.V. All rights reserved.

Airflow and air quality simulations over the western mountainous region with a four-dimensional data assimilation technique

NASA Astrophysics Data System (ADS)

Yamada, Tetsuji; Kao, Chih-Yue; Bunker, Susan

We apply a three-dimensional meteorological model with a four-dimensional data assimilation (4-DDA) technique to simulate diurnal variations of wind, temperature, water vapor, and turbulence in a region extending from the west coast to east of the Rockies and from northern Mexico to Wyoming. The wind data taken during the 1985 SCENES ( Subregional Cooperative Electric Utility, Dept. of Defense, National Park Service, and Environmental Protection Agency Study on Visibility) field experiments are successfully assimilated into the model through the 4-DDA technique by 'nudging' the modeled winds toward the observed winds. The modeled winds and turbulence fields are then used in a Lagrangian random-particle statistical model to investigate how pollutants from potential sources are transported and diffused. Finally, we calculate the ground concentrations through a kernel density estimator. Two scenarios in different weather patterns are investigated with simulation periods up to 6 days. One is associated with the evolution of a surface cold front and the other under a high-pressure stagnant condition. In the frontal case, the impact of air-mass movement on the ground concentrations of pollutants released from the Los Angeles area is well depicted by the model. Also, the pollutants produced from Los Angeles can be transported to the Grand Canyon area within 24 h. However, if we use only the data that were obtained from the regular NWS rawinsonde network, whose temporal and spatial resolutions are coarser than those of the special network, the plume goes north-northeast and never reaches the Grand Canyon area. In the stagnant case, the pollutants meander around the source area and can have significant impact on local air quality.

Proton and deuteron position preferences in water clusters: an ab initio study.

PubMed

Anick, David J

2005-12-22

In order to explore the effect of H-to-D substitution on the zero-point energy (ZPE) of water clusters, Hessians were computed for a database of 53 optimized (H2O)n clusters, 5 < or = n < or = 21, at the B3LYP6-311 + + G** level. The 53 clusters contained 1524 protons, which were sorted into 18 categories according to the type of their donor O and (if not free) acceptor O. Letting deltaZPE[H]* denote the change in ZPE when the proton H* is replaced by D, mean values for deltaZPE[H*] for the H-bonded categories ranged from -2172 cal mol(-1) for H* in a DDAA-DDAA bond to -2118 for H* in a DAA-DDA bond. Mean value for H* free on DAA (respectively, DA) was -2018 (respectively, -1969). For DAA-DDA bonds, and for short H bonds in general, there was a strong inverse correlation between /deltaZPE[H*]/ and the O-H* distance. deltaZPE for multiple H-to-D substitutions was additive, except for a cooperativity effect of -13.7 to -19.7 cal mol(-1) when two substituted protons were in the same H2O unit and a much smaller cooperativity when one proton's donor was the other's acceptor. Implications of these data include a relative preference for D to occupy H bonded rather than free positions in finite water clusters, a value of 3.82 for the disproportionation equilibrium constant of mixed ice at 150 K, increased occupation by H at surface positions of mixed ice, and a larger average coordination number for liquid D2O than for liquid H2O.

Cytochrome P450 isoforms in the Metabolism of Decursin and Decursinol Angelate from Korean Angelica

PubMed Central

ZHANG, Jinhui; LI, Li; TANG, Suni; HALE, Thomas W.; XING, Chengguo; JIANG, Cheng; LÜ, Junxuan

2016-01-01

We have shown that the in vitro hepatic microsomal metabolism of pyranocoumarin compound decursinol angelate (DA) to decursinol (DOH) exclusively requires cytochrome P450 enzymes (CYP) whereas the conversion of its isomer decursin (D) to DOH can be mediated by CYP and esterase(s). To provide insight into specific isoforms involved, here we show with recombinant human CYP that 2C19 was the most active at metabolizing D and DA in vitro followed by 3A4. With carboxylesterases (CES), D was hydrolyzed by CES2 but not CES1, and DA was resistant to both CES1 and CES2. In human liver microsomal preparation, general CYP inhibitor 1-aminobenzotriazole (ABT) and respective competitive inhibitors for 2C19 and 3A4, (+)-N-3-benzylnirvanol and ketoconazole, substantially retarded the metabolism of DA and, to a lesser extent, of D. In healthy human subjects from a single-dose pharmacokinetic study, 2C19 extensive metabolizer genotype (2C19*17 allele) tended to have less plasma DA AUC0–48h and poor metabolizer genotype (2C19*2 allele) tended to have greater DA AUC0–48h. In mice given a single dose of D/DA, pretreatment with ABT boosted the plasma and prostate levels of D and DA by more than an order of magnitude. Taken together, our findings suggest that CYP isoforms 2C19 and 3A4 may play a crucial role in the first pass liver metabolism of DA and, to a lesser extent, that of D in humans. Pharmacogenetics with respect to CYP genotypes and interactions among CYP inhibitor drugs and D/DA should therefore be considered in designing future translation studies of DA and/or D. PMID:26394652

Cytochrome P450 Isoforms in the Metabolism of Decursin and Decursinol Angelate from Korean Angelica.

PubMed

Zhang, Jinhui; Li, Li; Tang, Suni; Hale, Thomas W; Xing, Chengguo; Jiang, Cheng; Lü, Junxuan

2015-01-01

We have shown that the in vitro hepatic microsomal metabolism of pyranocoumarin compound decursinol angelate (DA) to decursinol (DOH) exclusively requires cytochrome P450 (CYP) enzymes, whereas the conversion of its isomer decursin (D) to DOH can be mediated by CYP and esterase(s). To provide insight into specific isoforms involved, here we show with recombinant human CYP that 2C19 was the most active at metabolizing D and DA in vitro followed by 3A4. With carboxylesterases (CES), D was hydrolyzed by CES2 but not CES1, and DA was resistant to both CES1 and CES2. In human liver microsomal (HLM) preparation, the general CYP inhibitor 1-aminobenzotriazole (ABT) and respective competitive inhibitors for 2C19 and 3A4, (+)-N-3-benzylnirvanol (NBN) and ketoconazole substantially retarded the metabolism of DA and, to a lesser extent, of D. In healthy human subjects from a single-dose pharmacokinetic (PK) study, 2C19 extensive metabolizer genotype (2C19*17 allele) tended to have less plasma DA AUC0-48h and poor metabolizer genotype (2C19*2 allele) tended to have greater DA AUC0-48h. In mice given a single dose of D/DA, pretreatment with ABT boosted the plasma and prostate levels of D and DA by more than an order of magnitude. Taken together, our findings suggest that CYP isoforms 2C19 and 3A4 may play a crucial role in the first pass liver metabolism of DA and, to a lesser extent, that of D in humans. Pharmacogenetics with respect to CYP genotypes and interactions among CYP inhibitor drugs and D/DA should therefore be considered in designing future translation studies of DA and/or D.

Surface-Height Determination of Crevassed Glaciers-Mathematical Principles of an Autoadaptive Density-Dimension Algorithm and Validation Using ICESat-2 Simulator (SIMPL) Data

NASA Technical Reports Server (NTRS)

Herzfeld, Ute C.; Trantow, Thomas M.; Harding, David; Dabney, Philip W.

2017-01-01

Glacial acceleration is a main source of uncertainty in sea-level-change assessment. Measurement of ice-surface heights with a spatial and temporal resolution that not only allows elevation-change calculation, but also captures ice-surface morphology and its changes is required to aid in investigations of the geophysical processes associated with glacial acceleration.The Advanced Topographic Laser Altimeter System aboard NASAs future ICESat-2 Mission (launch 2017) will implement multibeam micropulse photon-counting lidar altimetry aimed at measuring ice-surface heights at 0.7-m along-track spacing. The instrument is designed to resolve spatial and temporal variability of rapidly changing glaciers and ice sheets and the Arctic sea ice. The new technology requires the development of a new mathematical algorithm for the retrieval of height information.We introduce the density-dimension algorithm (DDA) that utilizes the radial basis function to calculate a weighted density as a form of data aggregation in the photon cloud and considers density an additional dimension as an aid in auto-adaptive threshold determination. The auto-adaptive capability of the algorithm is necessary to separate returns from noise and signal photons under changing environmental conditions. The algorithm is evaluated using data collected with an ICESat-2 simulator instrument, the Slope Imaging Multi-polarization Photon-counting Lidar, over the heavily crevassed Giesecke Braer in Northwestern Greenland in summer 2015. Results demonstrate that ICESat-2 may be expected to provide ice-surface height measurements over crevassed glaciers and other complex ice surfaces. The DDA is generally applicable for the analysis of airborne and spaceborne micropulse photon-counting lidar data over complex and simple surfaces.

A CMOS wireless biomolecular sensing system-on-chip based on polysilicon nanowire technology.

PubMed

Huang, C-W; Huang, Y-J; Yen, P-W; Tsai, H-H; Liao, H-H; Juang, Y-Z; Lu, S-S; Lin, C-T

2013-11-21

As developments of modern societies, an on-field and personalized diagnosis has become important for disease prevention and proper treatment. To address this need, in this work, a polysilicon nanowire (poly-Si NW) based biosensor system-on-chip (bio-SSoC) is designed and fabricated by a 0.35 μm 2-Poly-4-Metal (2P4M) complementary metal-oxide-semiconductor (CMOS) process provided by a commercialized semiconductor foundry. Because of the advantages of CMOS system-on-chip (SoC) technologies, the poly-Si NW biosensor is integrated with a chopper differential-difference amplifier (DDA) based analog-front-end (AFE), a successive approximation analog-to-digital converter (SAR ADC), and a microcontroller to have better sensing capabilities than a traditional Si NW discrete measuring system. In addition, an on-off key (OOK) wireless transceiver is also integrated to form a wireless bio-SSoC technology. This is pioneering work to harness the momentum of CMOS integrated technology into emerging bio-diagnosis technologies. This integrated technology is experimentally examined to have a label-free and low-concentration biomolecular detection for both Hepatitis B Virus DNA (10 fM) and cardiac troponin I protein (3.2 pM). Based on this work, the implemented wireless bio-SSoC has demonstrated a good biomolecular sensing characteristic and a potential for low-cost and mobile applications. As a consequence, this developed technology can be a promising candidate for on-field and personalized applications in biomedical diagnosis.

DD 21A-A Capable, Affordable, Modular 21st Century Destroyer

DTIC Science & Technology

1993-12-01

1 1.000 2 0.OOOOE+00 3 0.OOOOE+00 4 1.000 5 1.000 ARRANGEMENT OPERATION SEP SS GEN OP ARRAY = ( 2X 1) 1 2.000 2 2.000 ARRANGEMENT CG MACHY KG IND... GEN SIZE IND = GIVEN SEP SS GEN KW = 2000.00 KW SS ENGINES SS ENG SELECT IND = GIVEN SS ENG MODEL IND = DDA-501-K17 SS ENG TYPE IND = GT SS ENG SIZE...1733.6 PROPELLERS: 2 - CP - 17.0 FT DIA AREA SUMMARY - FT2 SEP GEN : 3 CT 0 2000.0 KW HULL AREA - 55529.2 SUPERSTRUCTURE AREA - 21232.1 24 HR LOAD 1858.1

Neutral Loss Ion Mapping Experiment Combined with Precursor Mass List and Dynamic Exclusion for Screening Unstable Malonyl Glucoside Conjugates

NASA Astrophysics Data System (ADS)

Yang, Min; Zhou, Zhe; Yao, Shuai; Li, Shangrong; Yang, Wenzhi; Jiang, Baohong; Liu, Xuan; Wu, Wanying; Qv, Hua; Guo, De-an

2016-01-01

Malonates are one type of the acylation conjugates and found abundantly in ginseng and soybean. Malonyl conjugates of ginsenosides and isoflavone glycosides were often considered as the characteristic components to evaluate various species and different forms of ginseng and soybean products because of their thermal instability. Another famous isoflavonoid-rich leguminous traditional Chinese medicine (TCM), named Puerarin lobata (Gegen), has also been reported to contain malonyl daidzin and malonyl genistin. However, the conjugates were found to present in very low amount and particularly unstable in the negative ion mode scan using LTQ Orbitrap mass spectrometry with electrospray ionization (ESI). In order to screen and characterize the malonyl conjugates in Gegen, a specific method was designed and developed combining neutral loss ion mapping (NLIM) experiment and precursor mass list (PL) triggered data dependent acquisition (DDA). Along with the activation of dynamic exclusion (DE), the method was proven to be specific and efficient for searching the malonate derivatives from Gegen. Two samples were examined by the established method. A total of 66 compounds were found, and 43 of them were malonates of isoflavone glycoside. Very few compounds were reported previously in Gegen. The results are helpful to understand the constituents of Gegen with more insight. The study not only provided a method for analyzing the malonyl conjugates from complex matrices but also explored a way to trace other low amount components in TCMs.

Application of the wavelet packet transform to vibration signals for surface roughness monitoring in CNC turning operations

NASA Astrophysics Data System (ADS)

García Plaza, E.; Núñez López, P. J.

2018-01-01

The wavelet packet transform method decomposes a time signal into several independent time-frequency signals called packets. This enables the temporary location of transient events occurring during the monitoring of the cutting processes, which is advantageous in monitoring condition and fault diagnosis. This paper proposes the monitoring of surface roughness using a single low cost sensor that is easily implemented in numerical control machine tools in order to make on-line decisions on workpiece surface finish quality. Packet feature extraction in vibration signals was applied to correlate the sensor signals to measured surface roughness. For the successful application of the WPT method, mother wavelets, packet decomposition level, and appropriate packet selection methods should be considered, but are poorly understood aspects in the literature. In this novel contribution, forty mother wavelets, optimal decomposition level, and packet reduction methods were analysed, as well as identifying the effective frequency range providing the best packet feature extraction for monitoring surface finish. The results show that mother wavelet biorthogonal 4.4 in decomposition level L3 with the fusion of the orthogonal vibration components (ax + ay + az) were the best option in the vibration signal and surface roughness correlation. The best packets were found in the medium-high frequency DDA (6250-9375 Hz) and high frequency ADA (9375-12500 Hz) ranges, and the feed acceleration component ay was the primary source of information. The packet reduction methods forfeited packets with relevant features to the signal, leading to poor results for the prediction of surface roughness. WPT is a robust vibration signal processing method for the monitoring of surface roughness using a single sensor without other information sources, satisfactory results were obtained in comparison to other processing methods with a low computational cost.

Izhevskiy Petroleum Equipment Plant.

DTIC Science & Technology

1979-04-03

DIST AVAIL AND/OR SPECIAL DATE ACCESSIONED RI DISTRIBUTION STAMP 9- 12 27 DATE RECEIVED IN DTIC PHOTOGRAPH THIS SHEET AND RETURN TO DTIC-DDA-2 D FORM...release; distribution unlimited. FTD-ID(RS)T-0338-79 EDITED TRANSLATION FTD-ID(RS)T-0338-79 3 April 1979 MICROFICHE NR : l’- I C-Cr056 IZhEVSKIY PETROLEUM...III .1e’ llofwm~ww 4+utR.mw I"Te’Wnw~~A INC-eI1 l’T1 IilHw n1. 4’ 12.17 12 17 - I.’, I’ ’ I ’ ’I I? II ’ 2 n., 17 + I7 2’ 24 II - II -- - Key: 1 - No

Surface-enhanced Raman spectroscopy of double-shell hollow nanoparticles: electromagnetic and chemical enhancements.

PubMed

Mahmoud, Mahmoud A

2013-05-28

Enhancements of the Raman signal by the newly prepared gold-palladium and gold-platinum double-shell hollow nanoparticles were examined and compared with those using gold nanocages (AuNCs). The surface-enhanced Raman spectra (SERS) of thiophenol adsorbed on the surface of AuNCs assembled into a Langmuir-Blodgett monolayer were 10-fold stronger than AuNCs with an inner Pt or Pd shell. The chemical and electromagnetic enhancement mechanisms for these hollow nanoparticles were further proved by comparing the Raman enhancement of nitrothiophenol and nitrotoulene. Nitrothiophenol binds to the surface of the nanoparticles by covalent interaction, and Raman enhancement by both the two mechanisms is possible, while nitrotoulene does not form any chemical bond with the surface of the nanoparticles and hence no chemical enhancement is expected. Based on discrete dipole approximation (DDA) calculations and the experimental SERS results, AuNCs introduced a high electromagnetic enhancement, while the nanocages with inner Pt or Pd shell have a strong chemical enhancement. The optical measurements of the localized surface plasmon resonance (LSPR) of the nanocages with an outer Au shell and an inner Pt or Pd shell were found, experimentally and theoretically, to be broad compared with AuNCs. The possible reason could be due to the decrease of the coherence time of Au oscillated free electrons and fast damping of the plasmon energy. This agreed well with the fact that a Pt or Pd inner nanoshell decreases the electromagnetic field of the outer Au nanoshell while increasing the SERS chemical enhancement.

Light Scattering Analysis of Irregularly Shaped Dust Particles: A Study Using 3-Dimensional Reconstructions from Focused Ion-Beam (FIB) Tomography and Q-Space Analysis

NASA Astrophysics Data System (ADS)

Ortiz-Montalvo, D. L.; Conny, J. M.

2017-12-01

We study the scattering properties of irregularly shaped ambient dust particles. The way in which they scatter and absorb light has implications for aerosol optical remote sensing and aerosol radiative forcing applications. However, understanding light scattering and absorption by non-spherical particles can be very challenging. We used focused ion-beam scanning electron microscopy and energy-dispersive x-ray spectroscopy (FIB-SEM-EDS) to reconstruct three-dimensional (3-D) configurations of dust particles collected from urban and Asian sources. The 3-D reconstructions were then used in a discrete dipole approximation method (DDA) to determine their scattering properties for a range of shapes, sizes, and refractive indices. Scattering properties where obtained using actual-shapes of the particles, as well as, (theoretical) equivalently-sized geometrical shapes like spheres, ellipsoids, cubes, rectangular prisms, and tetrahedrons. We use Q-space analysis to interpret the angular distribution of the scattered light obtained for each particle. Q-space analysis has been recently used to distinguish scattering by particles of different shapes, and it involves plotting the scattered intensity versus the scattering wave vector (q or qR) on a log-log scale, where q = 2ksin(θ/2), k = 2π/λ, and R = particle effective radius. Results from a limited number of particles show that when Q-space analysis is applied, common patterns appear that agree with previous Q-space studies done on ice crystals and other irregularly shaped particles. More specifically, we found similar Q-space regimes including a forward scattering regime of constant intensity when qR < 1, followed by the Guinier regime when qR ≈ 1, which is then followed by a complex power law regime with a -3 slope regime, a transition regime, and then a -4 slope regime. Currently, Q-space comparisons between actual- and geometric shapes are underway with the objective of determining which geometric shape best represents the angular distribution and magnitude of the scattered light. Current work also focuses on the effects of the imaginary part of the refractive index on the light scattering of our dust particles.

Preparation and characterization of silica xerogels as carriers for drugs.

PubMed

Czarnobaj, K

2008-11-01

The aim of the present study was to utilize the sol-gel method to synthesize different forms of xerogel matrices for drugs and to investigate how the synthesis conditions and solubility of drugs influence the change of the profile of drug release and the structure of the matrices. Silica xerogels doped with drugs were prepared by the sol-gel method from a hydrolyzed tetraethoxysilane (TEOS) solution containing two model compounds: diclofenac diethylamine, (DD)--a water-soluble drug or ibuprofen, (IB)--a water insoluble drug. Two procedures were used for the synthesis of sol-gel derived materials: one-step procedure (the sol-gel reaction was carried out under acidic or basic conditions) and the two-step procedure (first, hydrolysis of TEOS was carried out under acidic conditions, and then condensation of silanol groups was carried out under basic conditions) in order to obtain samples with altered microstructures. In vitro release studies of drugs revealed a similar release profile in two steps: an initial diffusion-controlled release followed by a slower release rate. In all the cases studied, the released amount of DD was higher and the released time was shorter compared with IB for the same type of matrices. The released amount of drugs from two-step prepared xerogels was always lower than that from one-step base-catalyzed xerogels. One-step acid-catalyzed xerogels proved unsuitable as the carriers for the examined drugs.

Sleep Deprivation During Early-Adult Development Results in Long-Lasting Learning Deficits in Adult Drosophila

PubMed Central

Seugnet, Laurent; Suzuki, Yasuko; Donlea, Jeff M.; Gottschalk, Laura; Shaw, Paul J.

2011-01-01

Study Objectives: Multiple lines of evidence indicate that sleep is important for the developing brain, although little is known about which cellular and molecular pathways are affected. Thus, the aim of this study was to determine whether the early adult life of Drosophila, which is associated with high amounts of sleep and critical periods of brain plasticity, could be used as a model to identify developmental processes that require sleep. Subjects: Wild type Canton-S Drosophila melanogaster. Design; Intervention: Flies were sleep deprived on their first full day of adult life and allowed to recover undisturbed for at least 3 days. The animals were then tested for short-term memory and response-inhibition using aversive phototaxis suppression (APS). Components of dopamine signaling were further evaluated using mRNA profiling, immunohistochemistry, and pharmacological treatments. Measurements and Results: Flies exposed to acute sleep deprivation on their first day of life showed impairments in short-term memory and response inhibition that persisted for at least 6 days. These impairments in adult performance were reversed by dopamine agonists, suggesting that the deficits were a consequence of reduced dopamine signaling. However, sleep deprivation did not impact dopaminergic neurons as measured by their number or by the levels of dopamine, pale (tyrosine hydroxylase), dopadecarboxylase, and the Dopamine transporter. However, dopamine pathways were impacted as measured by increased transcript levels of the dopamine receptors D2R and dDA1. Importantly, blocking signaling through the dDA1 receptor in animals that were sleep deprived during their critical developmental window prevented subsequent adult learning impairments. Conclusions: These data indicate that sleep plays an important and phylogenetically conserved role in the developing brain. Citation: Seugnet L; Suzuki Y; Donlea JM; Gottschalk L; Shaw PJ. Sleep deprivation during early-adult development results in long-lasting learning deficits in adult drosophila. SLEEP 2011;34(2):137-146. PMID:21286249

DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

NASA Technical Reports Server (NTRS)

Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S.; Kolokolova, Ludmilla

2015-01-01

Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 < or = fcrystal < or = 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 microns, 16, 19, 23.5, 27, and 33 microns), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 micron-radii porous aggregates with 0.13 < or = fcrystal < or = 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale- Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11micron and 23 micron crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial transport models of our protoplanetary disk.

Polymer Nanocomposite Films: Dispersion of Polymer Grafted Nanorods and Optical Properties

NASA Astrophysics Data System (ADS)

Composto, Russell

2013-03-01

The thermodynamic factors that affect the dispersion of polymer-brush grafted gold nanorods (NR) in polymer matrix films have been studied by experiment and theory. When brush and matrix have a favorable interaction, such as poly(ethylene oxide) (PEO)-NR/ poly(methyl methacrylate) (PMMA) and polystyrene (PS)-NR / poly(2,6-dimethyl-p-phenylene oxide) (PPO), nanorods are uniformly dispersed. For PEO-NRs in PMMA, the NRs are regularly spaced and well dispersed, independent of the ratio of the degree of polymerization of the matrix (P) to that of the brush (N), namely P/N. As the NR volume fraction increases, the local orientation of the nanorods increases, whereas the macroscopic orientation remains isotropic. When the brush and matrix are similar (i.e., PS-NR / PS and PEO-NR / PEO), the nanorods randomly disperse for P/N < 2 (i.e., wet brush), but align side-by-side in aggregates for P/N > 2. UV-visible spectroscopy and discrete dipole approximation (DDA) calculations demonstrate that surface plasmon coupling leads to a blue shift in the longitudinal surface plasmon resonance (LSPR) as P/N increases. For P/N > 2, self-consistent field theory (SCFT) calculations and Monte Carlo (MC) simulations indicate that nanorod aggregation is caused by depletion-attraction forces. Starting with a dry brush system, namely, a PS matrix where P/N = 30, these attractive forces can be mediated by adding a compatibilizing agent (e.g., PPO) that drives the NRs to disperse. Finally, dry and wet brush behavior is observed for NR aspect ratios varying from 2.5 to 7. However, compared at the same volume fraction, long rods for the dry case exhibit much better local order than lower aspect ratio nanorods, suggesting that long rods may exhibit nematic-like ordering at higher loadings. NSF Polymer and CEMRI Programs.

Design of a CMOS readout circuit on ultra-thin flexible silicon chip for printed strain gauges

NASA Astrophysics Data System (ADS)

Elsobky, Mourad; Mahsereci, Yigit; Keck, Jürgen; Richter, Harald; Burghartz, Joachim N.

2017-09-01

Flexible electronics represents an emerging technology with features enabling several new applications such as wearable electronics and bendable displays. Precise and high-performance sensors readout chips are crucial for high quality flexible electronic products. In this work, the design of a CMOS readout circuit for an array of printed strain gauges is presented. The ultra-thin readout chip and the printed sensors are combined on a thin Benzocyclobutene/Polyimide (BCB/PI) substrate to form a Hybrid System-in-Foil (HySiF), which is used as an electronic skin for robotic applications. Each strain gauge utilizes a Wheatstone bridge circuit, where four Aerosol Jet® printed meander-shaped resistors form a full-bridge topology. The readout chip amplifies the output voltage difference (about 5 mV full-scale swing) of the strain gauge. One challenge during the sensor interface circuit design is to compensate for the relatively large dc offset (about 30 mV at 1 mA) in the bridge output voltage so that the amplified signal span matches the input range of an analog-to-digital converter (ADC). The circuit design uses the 0. 5 µm mixed-signal GATEFORESTTM technology. In order to achieve the mechanical flexibility, the chip fabrication is based on either back thinned wafers or the ChipFilmTM technology, which enables the manufacturing of silicon chips with a thickness of about 20 µm. The implemented readout chip uses a supply of 5 V and includes a 5-bit digital-to-analog converter (DAC), a differential difference amplifier (DDA), and a 10-bit successive approximation register (SAR) ADC. The circuit is simulated across process, supply and temperature corners and the simulation results indicate excellent performance in terms of circuit stability and linearity.

Optimisation of Deacetylation Process for Chitosan Production from Red Snapper (Lutjanus sp.) Scale Wastes

NASA Astrophysics Data System (ADS)

Takarina, N. D.; Indah, A. B.; Nasrul, A. A.; Nurmarina, A.; Saefumillah, A.; Fanani, A. A.; Loka, K. D. P.

2017-02-01

Red snapper (Lutjanus sp.) is common tropical fish that known as important source of marine product in particular Indonesia. This research aimed to optimise the chitosan synthesis from the red snapper scale waste through deacetylation process. Method in this research was divided into three stages which were deproteination, demineralization, and deacetylation. Deproteination stage was done with solution containing 4.2% w/v NaOH and heated at 60° C for 5 hours and followed by the demineralization stage with solution containing 52% v/v 2 N HCl at room temperature for 6 hours. The comparison between fish scales and solutions was 1: 6. After that, process continued with the deacetylation. Several treatment during the deacetylation process were taken into consideration to determine the effective concentration for yielding optimum chitosan output. Chitosan produced were having moisture content of 2.88%, ash content of 1.10%, and nitrogen content of 0.0136%. Optimal Degree of Deacetylation (DDA) was up to 90.83% that obtained by heating treatment at a temperature of 110° C with solution containing 80% NaOH for 4 hours, and comparison between chitin : solution was 1 : 3. This result indicated that chitosan extracted from red snapper scale is very potential and can be applied to industry.

The preparation and characterization of chitin and chitosan under large-scale submerged fermentation level using shrimp by-products as substrate.

PubMed

Zhang, Hongcai; Yun, Sanyue; Song, Lingling; Zhang, Yiwen; Zhao, Yanyun

2017-03-01

The crustacean shells of crabs and shrimps produces quantities of by-products, leading to seriously environmental pollution and human health problems during industrial processing, yet they turned into high-value useful products, such as chitin and chitosan. To prepare them under large-scale submerged fermentation level, shrimp shell powders (SSPs) was fermented by successive three-step fermentation of Serratia marcescens B742, Lactobacillus plantarum ATCC 8014 and Rhizopus japonicus M193 to extract chitin and chitosan based on previously optimal conditions. Moreover, the key parameters was investigated to monitor the changes of resulted products during fermentation process. The results showed that the yield of prepared chitin and chitosan reached 21.35 and 13.11% with the recovery rate of 74.67 and 63.42%, respectively. The degree of deacetylation (DDA) and molecular mass (MM) of produced chitosan were 81.23% and 512.06kDa, respectively. The obtained chitin and chitosan was characterized using Fourier transform infrared spectrometer (FT-IR) and X-ray diffraction (XRD) analysis. The established microbial fermentation method can be applied for the industrial large-scale production of chitin and chitosan, while the use of chemical reagents was significantly reduced. Copyright © 2016 Elsevier B.V. All rights reserved.

Modeling the Dynamical Structure of the Haumea Family

NASA Astrophysics Data System (ADS)

Proudfoot, Benjamin; Ragozzine, Darin

2018-04-01

Collisions are known to be critical in explaining the full story of the outer Solar System. The dwarf planet Haumea provides a unique empirical view into this, as Haumea is the only known example of a collisional family in the Kuiper Belt. Although there have been many Haumea formation hypotheses presented in the literature, none are fully self-consistent. In particular, it is challenging to explain the low ejection velocity of the family. With the addition of many new Haumea family members (Maggard & Ragozzine 2018, in prep.), we further investigate how we can use collision models to recreate the current dynamical distribution of Haumea family members in (proper) a-e-i-dv-H space. Using synthetic families created using different collision models, we use a Bayesian methodology to infer the posterior distribution of our model parameters that best matches the current family. Our newest results continue to exclude the planar distribution of family members that would result from a ‘graze-and-merge’ type collision (e.g., Leinhardt et al. 2010) based on a lack of a-e-i correlation (Proudfoot & Ragozzine, DPS 2017, DDA 2017). We present here our results from more models. We have also validated a statistical method for automatically and self-consistently identifying interlopers from the background population.

The infrared spectral transmittance of Aspergillus niger spore aggregated particle swarm

NASA Astrophysics Data System (ADS)

Zhao, Xinying; Hu, Yihua; Gu, Youlin; Li, Le

2015-10-01

Microorganism aggregated particle swarm, which is quite an important composition of complex media environment, can be developed as a new kind of infrared functional materials. Current researches mainly focus on the optical properties of single microorganism particle. As for the swarm, especially the microorganism aggregated particle swarm, a more accurate simulation model should be proposed to calculate its extinction effect. At the same time, certain parameters deserve to be discussed, which helps to better develop the microorganism aggregated particle swarm as a new kind of infrared functional materials. In this paper, take Aspergillus Niger spore as an example. On the one hand, a new calculation model is established. Firstly, the cluster-cluster aggregation (CCA) model is used to simulate the structure of Aspergillus Niger spore aggregated particle. Secondly, the single scattering extinction parameters for Aspergillus Niger spore aggregated particle are calculated by using the discrete dipole approximation (DDA) method. Thirdly, the transmittance of Aspergillus Niger spore aggregated particle swarm is simulated by using Monte Carlo method. On the other hand, based on the model proposed above, what influences can wavelength causes has been studied, including the spectral distribution of scattering intensity of Aspergillus Niger spore aggregated particle and the infrared spectral transmittance of the aggregated particle swarm within the range of 8-14μm incident infrared wavelengths. Numerical results indicate that the scattering intensity of Aspergillus Niger spore aggregated particle reduces with the increase of incident wavelengths at each scattering angle. Scattering energy mainly concentrates on the scattering angle between 0-40°, forward scattering has an obvious effect. In addition, the infrared transmittance of Aspergillus Niger spore aggregated particle swarm goes up with the increase of incident wavelengths. However, some turning points of the trend are associated with the absorption capacity of the swarm. When parameters of the swarm are set as follows: each Aspergillus Niger spore aggregated particle contains 40 original particles, the radius of original particle is 1.5μm, the density of aggregated particles is around 200/cm3, the measurement area is 4 meters thick, under conditions mentioned above, the infrared transmittance can be less than 10% between the incident wavelengths of 9.5-13μm. In the end, all the results provide the basis for better developing the microorganism aggregated particle swarm as a new kind of infrared functional materials and precisely choosing the effective defiladed infrared band.

Waste Determination Equivalency - 12172

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

Freeman, Rebecca D.

2012-07-01

The Savannah River Site (SRS) is a Department of Energy (DOE) facility encompassing approximately 800 square kilometers near Aiken, South Carolina which began operations in the 1950's with the mission to produce nuclear materials. The SRS contains fifty-one tanks (2 stabilized, 49 yet to be closed) distributed between two liquid radioactive waste storage facilities at SRS containing carbon steel underground tanks with storage capacities ranging from 2,800,000 to 4,900,000 liters. Treatment of the liquid waste from these tanks is essential both to closing older tanks and to maintaining space needed to treat the waste that is eventually vitrified or disposedmore » of onsite. Section 3116 of the Ronald W. Reagan National Defense Authorization Act of Fiscal Year 2005 (NDAA) provides the Secretary of Energy, in consultation with the Nuclear Regulatory Commission (NRC), a methodology to determine that certain waste resulting from prior reprocessing of spent nuclear fuel are not high-level radioactive waste if it can be demonstrated that the waste meets the criteria set forth in Section 3116(a) of the NDAA. The Secretary of Energy, in consultation with the NRC, signed a determination in January 2006, pursuant to Section 3116(a) of the NDAA, for salt waste disposal at the SRS Saltstone Disposal Facility. This determination is based, in part, on the Basis for Section 3116 Determination for Salt Waste Disposal at the Savannah River Site and supporting references, a document that describes the planned methods of liquid waste treatment and the resulting waste streams. The document provides descriptions of the proposed methods for processing salt waste, dividing them into 'Interim Salt Processing' and later processing through the Salt Waste Processing Facility (SWPF). Interim Salt Processing is separated into Deliquification, Dissolution, and Adjustment (DDA) and Actinide Removal Process/Caustic Side Solvent Extraction Unit (ARP/MCU). The Waste Determination was signed by the Secretary of Energy in January of 2006 based on proposed processing techniques with the expectation that it could be revised as new processing capabilities became viable. Once signed, however, it became evident that any changes would require lengthy review and another determination signed by the Secretary of Energy. With the maturation of additional salt removal technologies and the extension of the SWPF start-up date, it becomes necessary to define 'equivalency' to the processes laid out in the original determination. For the purposes of SRS, any waste not processed through Interim Salt Processing must be processed through SWPF or an equivalent process, and therefore a clear statement of the requirements for a process to be equivalent to SWPF becomes necessary. (authors)« less

DDT-related compounds as non-extractable residues in submarine sediments of the Palos Verdes Shelf, California, USA.

PubMed

Kucher, S; Schwarzbauer, J

2017-10-01

The Palos Verdes Shelf (PVS) and the continental slope off the Palos Verdes Peninsula are highly contaminated by degradation products of the pesticide DDT (1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene). Sediment samples from two box cores were analyzed to obtain further information about the fate of DDT and its degradation products within the environment. After solvent extraction, an alkaline hydrolysis procedure was applied. A comprehensive screening for 26 DDT compounds revealed that DDT and its degradates contaminate not only the extractable fraction but also the fraction released by alkaline hydrolysis. A comparison of the quantitative distribution of DDT degradation products in the extractable fraction and released by alkaline hydrolysis showed a distinct difference. DDE (1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene), DDD (1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene), DDMS (1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethyl]benzene), and DDMU (1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethenyl]benzene) were predominant in the sediment extracts but minor components of the hydrolyzable fraction. The most abundant compounds released by the alkaline hydrolysis were DBP (bis(4-chlorophenyl)methanone), DDNU (1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene), DDM (1-chloro-4-[(4-chlorophenyl)methyl]benzene) and the water-soluble DDA (2,2-bis(4-chlorophenyl)acetic acid). The release of DDA may point to the presence of an important degradation pathway in marine environments. Concentration levels of DDT-related compounds showed corresponding vertical profiles in both fractions, but were significantly lower in the fraction released by alkaline hydrolysis. In contrast to fluvial sediments contaminated by DDT and its degradates the alkaline hydrolysis products represented a minor portion of the total sedimentary burden in the analyzed marine sediments. These findings show the necessity of a comprehensive screening for all DDT isomers and breakdown products in the extractable and non-extractable fraction to assess the total contamination abundance and potential environmental risks. Copyright © 2017 Elsevier Ltd. All rights reserved.

iPhos: a toolkit to streamline the alkaline phosphatase-assisted comprehensive LC-MS phosphoproteome investigation

PubMed Central

2014-01-01

Background Comprehensive characterization of the phosphoproteome in living cells is critical in signal transduction research. But the low abundance of phosphopeptides among the total proteome in cells remains an obstacle in mass spectrometry-based proteomic analysis. To provide a solution, an alternative analytic strategy to confidently identify phosphorylated peptides by using the alkaline phosphatase (AP) treatment combined with high-resolution mass spectrometry was provided. While the process is applicable, the key integration along the pipeline was mostly done by tedious manual work. Results We developed a software toolkit, iPhos, to facilitate and streamline the work-flow of AP-assisted phosphoproteome characterization. The iPhos tookit includes one assister and three modules. The iPhos Peak Extraction Assister automates the batch mode peak extraction for multiple liquid chromatography mass spectrometry (LC-MS) runs. iPhos Module-1 can process the peak lists extracted from the LC-MS analyses derived from the original and dephosphorylated samples to mine out potential phosphorylated peptide signals based on mass shift caused by the loss of some multiples of phosphate groups. And iPhos Module-2 provides customized inclusion lists with peak retention time windows for subsequent targeted LC-MS/MS experiments. Finally, iPhos Module-3 facilitates to link the peptide identifications from protein search engines to the quantification results from pattern-based label-free quantification tools. We further demonstrated the utility of the iPhos toolkit on the data of human metastatic lung cancer cells (CL1-5). Conclusions In the comparison study of the control group of CL1-5 cell lysates and the treatment group of dasatinib-treated CL1-5 cell lysates, we demonstrated the applicability of the iPhos toolkit and reported the experimental results based on the iPhos-facilitated phosphoproteome investigation. And further, we also compared the strategy with pure DDA-based LC-MS/MS phosphoproteome investigation. The results of iPhos-facilitated targeted LC-MS/MS analysis convey more thorough and confident phosphopeptide identification than the results of pure DDA-based analysis. PMID:25521246

Effects of the alkylamine functionalization of graphene oxide on the properties of polystyrene nanocomposites

NASA Astrophysics Data System (ADS)

Jang, Jinhee; Pham, Viet Hung; Rajagopalan, Balasubramaniyan; Hur, Seung Hyun; Chung, Jin Suk

2014-05-01

Alkylamine-functionalized graphene oxides (FGOs) have superior dispersibility in low-polar solvents and, as a result, they interact with low-polar polymers such as polystyrene. In this work, the functionalization of graphene oxide using three types of alkylamines, octylamine (OA), dodecylamine (DDA), and hexadecylamine (HDA), was performed, and nanocomposites of polystyrene (PS) and FGOs were prepared via solution blending. Different dispersions of FGOs over PS were obtained for the three alkylamines, and the properties of the PS composites were influenced by the length of the alkylamine. A better thermal stability was observed with a longer chain length of the alkylamine. On the other hand, functionalization with the shortest chain length alkylamine resulted in the highest increase in the storage modulus (3,640 MPa, 140%) at a 10 wt.% loading of FGO.

DISTRIBUTION COEFICIENTS (KD) GENERATED FROM A CORE SAMPLE COLLECTED FROM THE SALTSTONE DISPOSAL FACILITY

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

Almond, P.; Kaplan, D.

Core samples originating from Vault 4, Cell E of the Saltstone Disposal Facility (SDF) were collected in September of 2008 (Hansen and Crawford 2009, Smith 2008) and sent to SRNL to measure chemical and physical properties of the material including visual uniformity, mineralogy, microstructure, density, porosity, distribution coefficients (K{sub d}), and chemical composition. Some data from these experiments have been reported (Cozzi and Duncan 2010). In this study, leaching experiments were conducted with a single core sample under conditions that are representative of saltstone performance. In separate experiments, reducing and oxidizing environments were targeted to obtain solubility and Kd valuesmore » from the measurable species identified in the solid and aqueous leachate. This study was designed to provide insight into how readily species immobilized in saltstone will leach from the saltstone under oxidizing conditions simulating the edge of a saltstone monolith and under reducing conditions, targeting conditions within the saltstone monolith. Core samples were taken from saltstone poured in December of 2007 giving a cure time of nine months in the cell and a total of thirty months before leaching experiments began in June 2010. The saltstone from Vault 4, Cell E is comprised of blast furnace slag, class F fly ash, portland cement, and Deliquification, Dissolution, and Adjustment (DDA) Batch 2 salt solution. The salt solution was previously analyzed from a sample of Tank 50 salt solution and characterized in the 4QCY07 Waste Acceptance Criteria (WAC) report (Zeigler and Bibler 2009). Subsequent to Tank 50 analysis, additional solution was added to the tank solution from the Effluent Treatment Project as well as from inleakage from Tank 50 pump bearings (Cozzi and Duncan 2010). Core samples were taken from three locations and at three depths at each location using a two-inch diameter concrete coring bit (1-1, 1-2, 1-3; 2-1, 2-2, 2-3; 3-1, 3-2, 3-3) (Hansen and Crawford 2009). Leaching experiments were conducted with a section of core sample 3-2. All cores from location 3 were drilled without using water. Core sample 3-2 was drilled from approximately six inches to a depth of approximately 13 inches. Approximately six inches of the core was removed but it broke into two pieces during removal from the bit. At the time of drilling, core material appeared olive green in color (Smith 2008). The fact that the samples were cored as olive green and were received after storage with a gray outer layer is indicative that some oxidation had occurred prior to leaching studies.« less

Direct application of Padé approximant for solving nonlinear differential equations.

PubMed

Vazquez-Leal, Hector; Benhammouda, Brahim; Filobello-Nino, Uriel; Sarmiento-Reyes, Arturo; Jimenez-Fernandez, Victor Manuel; Garcia-Gervacio, Jose Luis; Huerta-Chua, Jesus; Morales-Mendoza, Luis Javier; Gonzalez-Lee, Mario

2014-01-01

This work presents a direct procedure to apply Padé method to find approximate solutions for nonlinear differential equations. Moreover, we present some cases study showing the strength of the method to generate highly accurate rational approximate solutions compared to other semi-analytical methods. The type of tested nonlinear equations are: a highly nonlinear boundary value problem, a differential-algebraic oscillator problem, and an asymptotic problem. The high accurate handy approximations obtained by the direct application of Padé method shows the high potential if the proposed scheme to approximate a wide variety of problems. What is more, the direct application of the Padé approximant aids to avoid the previous application of an approximative method like Taylor series method, homotopy perturbation method, Adomian Decomposition method, homotopy analysis method, variational iteration method, among others, as tools to obtain a power series solutions to post-treat with the Padé approximant. 34L30.

Characterization of bioactive chitosan and sulfated chitosan from Doryteuthis singhalensis (Ortmann, 1891).

PubMed

Ramasamy, Pasiyappazham; Subhapradha, Namasivayam; Thinesh, Thangadurai; Selvin, Joseph; Selvan, Kanagaraj Muthamizh; Shanmugam, Vairamani; Shanmugam, Annaian

2017-06-01

Chitosan was extracted from the pen of squid Doryteuthis singhalensis and characterized using FT-IR, NMR, CHN, SEM and DSC analysis. Purified chitosan was sulfated with chlorosulfonic acid in N,N-dimethylformamide and the added sulfate group was confirmed with FT-IR analysis. The molecular weight and degree of deacetylation (DDA) of chitosan was found 226.6kDa and 83.76% respectively. Chitosan exhibited potent antioxidant activity evidenced by reducing power, chelating ability on ferrous ions and scavenging activity on DPPH, superoxide and hydroxyl radicals. The anticoagulant assay using activated partial thromboplastin time (APTT) and prothrombin time (PT) showed chitosan as a strong anticoagulant. The results of this study showed possibility of using D. singhalensis pen as a non-conventional source of natural antioxidants and anticoagulant which can be incorporated in functional food formulations. Copyright © 2017 Elsevier B.V. All rights reserved.

Differential equation based method for accurate approximations in optimization

NASA Technical Reports Server (NTRS)

Pritchard, Jocelyn I.; Adelman, Howard M.

1990-01-01

This paper describes a method to efficiently and accurately approximate the effect of design changes on structural response. The key to this new method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in msot cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacement are used to approximate bending stresses.

Differential equation based method for accurate approximations in optimization

NASA Technical Reports Server (NTRS)

Pritchard, Jocelyn I.; Adelman, Howard M.

1990-01-01

A method to efficiently and accurately approximate the effect of design changes on structural response is described. The key to this method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in most cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacements are used to approximate bending stresses.

Inhibition of Gαs/cAMP Signaling Decreases TCR-Stimulated IL-2 transcription in CD4(+) T Helper Cells.

PubMed

Hynes, Thomas R; Yost, Evan A; Yost, Stacy M; Hartle, Cassandra M; Ott, Braden J; Berlot, Catherine H

2015-07-06

The role of cAMP in regulating T cell activation and function has been controversial. cAMP is generally known as an immunosuppressant, but it is also required for generating optimal immune responses. As the effect of cAMP is likely to depend on its cellular context, the current study investigated whether the mechanism of activation of Gαs and adenylyl cyclase influences their effect on T cell receptor (TCR)-stimulated interleukin-2 (IL-2) mRNA levels. The effect of blocking Gs-coupled receptor (GsPCR)-mediated Gs activation on TCR-stimulated IL-2 mRNA levels in CD4(+) T cells was compared with that of knocking down Gαs expression or inhibiting adenylyl cyclase activity. The effect of knocking down Gαs expression on TCR-stimulated cAMP accumulation was compared with that of blocking GsPCR signaling. ZM-241385, an antagonist to the Gs-coupled A2A adenosine receptor (A2AR), enhanced TCR-stimulated IL-2 mRNA levels in primary human CD4(+) T helper cells and in Jurkat T cells. A dominant negative Gαs construct, GαsDN3, also enhanced TCR-stimulated IL-2 mRNA levels. Similar to GsPCR antagonists, GαsDN3 blocked GsPCR-dependent activation of both Gαs and Gβγ. In contrast, Gαs siRNA and 2',5'-dideoxyadenosine (ddA), an adenylyl cyclase inhibitor, decreased TCR-stimulated IL-2 mRNA levels. Gαs siRNA, but not GαsDN3, decreased TCR-stimulated cAMP synthesis. Potentiation of IL-2 mRNA levels by ZM-241385 required at least two days of TCR stimulation, and addition of ddA after three days of TCR stimulation enhanced IL-2 mRNA levels. GsPCRs play an inhibitory role in the regulation of TCR-stimulated IL-2 mRNA levels whereas Gαs and cAMP can play a stimulatory one. Additionally, TCR-dependent activation of Gαs does not appear to involve GsPCRs. These results suggest that the context of Gαs/cAMP activation and the stage of T cell activation and differentiation determine the effect on TCR-stimulated IL-2 mRNA levels.

Piecewise Structural Equation Model (SEM) Disentangles the Environmental Conditions Favoring Diatom Diazotroph Associations (DDAs) in the Western Tropical North Atlantic (WTNA).

PubMed

Stenegren, Marcus; Berg, Carlo; Padilla, Cory C; David, Stefan-Sebastian; Montoya, Joseph P; Yager, Patricia L; Foster, Rachel A

2017-01-01

Diatom diazotroph associations (DDAs) are important components in the world's oceans, especially in the western tropical north Atlantic (WTNA), where blooms have a significant impact on carbon and nitrogen cycling. However, drivers of their abundances and distribution patterns remain unknown. Here, we examined abundance and distribution patterns for two DDA populations in relation to the Amazon River (AR) plume in the WTNA. Quantitative PCR assays, targeting two DDAs (het-1 and het-2) by their symbiont's nifH gene, served as input in a piecewise structural equation model (SEM). Collections were made during high (spring 2010) and low (fall 2011) flow discharges of the AR. The distributions of dissolved nutrients, chlorophyll- a , and DDAs showed coherent patterns indicative of areas influenced by the AR. A symbiotic Hemiaulus hauckii-Richelia (het-2) bloom (>10 6 cells L -1 ) occurred during higher discharge of the AR and was coincident with mesohaline to oceanic (30-35) sea surface salinities (SSS), and regions devoid of dissolved inorganic nitrogen (DIN), low concentrations of both DIP (>0.1 μmol L -1 ) and Si (>1.0 μmol L -1 ). The Richelia (het-1) associated with Rhizosolenia was only present in 2010 and at lower densities (10-1.76 × 10 5 nifH copies L -1 ) than het-2 and limited to regions of oceanic SSS (>36). The het-2 symbiont detected in 2011 was associated with H. membranaceus (>10 3 nifH copies L -1 ) and were restricted to regions with mesohaline SSS (31.8-34.3), immeasurable DIN, moderate DIP (0.1-0.60 μmol L -1 ) and higher Si (4.19-22.1 μmol L -1 ). The piecewise SEM identified a profound direct negative effect of turbidity on the het-2 abundance in spring 2010, while DIP and water turbidity had a more positive influence in fall 2011, corroborating our observations of DDAs at subsurface maximas. We also found a striking difference in the influence of salinity on DDA symbionts suggesting a niche differentiation and preferences in oceanic and mesohaline salinities by het-1 and het-2, respectively. The use of the piecewise SEM to disentangle the complex and concomitant hydrography of the WTNA acting on two biogeochemically relevant populations was novel and underscores its use to predict conditions favoring abundance and distributions of microbial populations.

A relative quantitative positive/negative ion switching method for untargeted lipidomics via high resolution LC-MS/MS from any biological source

PubMed Central

Breitkopf, Susanne B.; Ricoult, Stéphane J. H.; Yuan, Min; Xu, Ying; Peake, David A.; Manning, Brendan D.

2017-01-01

Introduction Advances in high-resolution mass spectrometry have created renewed interest for studying global lipid biochemistry in disease and biological systems. Objectives Here, we present an untargeted 30 min. LC-MS/MS platform that utilizes positive/negative polarity switching to perform unbiased data dependent acquisitions (DDA) via higher energy collisional dissociation (HCD) fragmentation to profile more than 1000–1500 lipid ions mainly from methyl-tert-butyl ether (MTBE) or chloroform:methanol extractions. Methods The platform uses C18 reversed-phase chromatography coupled to a hybrid QExactive Plus/HF Orbitrap mass spectrometer and the entire procedure takes ~10 h from lipid extraction to identification/quantification for a data set containing 12 samples (~4 h for a single sample). Lipids are identified by both accurate precursor ion mass and fragmentation features and quantified using Lipid-Search and Elements software. Results Using this approach, we are able to profile intact lipid ions from up to 18 different main lipid classes and 66 subclasses. We show several studies from different biological sources, including cultured cancer cells, resected tissues from mice such as lung and breast tumors and biological fluids such as plasma and urine. Conclusions Using mouse embryonic fibroblasts, we showed that TSC2−/− KD significantly abrogates lipid biosynthesis and that rapamycin can rescue triglyceride (TG) lipids and we show that SREBP−/− shuts down lipid biosynthesis significantly via mTORC1 signaling pathways. We show that in mouse EGFR driven lung tumors, a large number of TGs and phosphatidylmethanol (PMe) lipids are elevated while some phospholipids (PLs) show some of the largest decrease in lipid levels from ~ 2000 identified lipid ions. In addition, we identified more than 1500 unique lipid species from human blood plasma. PMID:28496395

An accurate and efficient method for evaluating the kernel of the integral equation relating pressure to normalwash in unsteady potential flow

NASA Technical Reports Server (NTRS)

Desmarais, R. N.

1982-01-01

This paper describes an accurate economical method for generating approximations to the kernel of the integral equation relating unsteady pressure to normalwash in nonplanar flow. The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the non elementary integrals in the kernel by exponential approximations and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. Coefficients for 8, 12, 24, and 72 term approximations are tabulated in the report. Also, since the method is automated, it can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.

Postoperative anti-adhesion ability of a novel carboxymethyl chitosan from silkworm pupa in a rat cecal abrasion model.

PubMed

Zhu, Lin; Zhang, Yu-Qing

2016-04-01

N,O-Carboxymethyl chitosan (NOCC) can prevent postsurgical adhesion formation. Here, we described the preparation of a novel silkworm pupa NOCC and its effects on the prevention of postoperative adhesion in a rat cecal abrasion model. The degree of deacetylation (DDA) of silkworm pupa chitosan was only 49.87 ± 0.86%; regardless, it was used as the raw material to construct the novel silkworm pupa NOCC, which had a weaker crystallinity than the NOCC standard. Sixty male Sprague-Dawley rats were divided into three groups and treated as follows: 0.9% normal saline solution as a negative control, medical anti-adhesion gel as a positive control and the silkworm pupa NOCC anti-adhesion solution. Two and three weeks after surgery, the animals were killed and the adhesion formation was scored. The silkworm pupa NOCC solution significantly decreased the levels of WBC, TNF-α, IL-1β, IL-2, IL-6 and IL-8 but had no effect on IL-4. Additionally, a lower level of TGF-β1 expression was found in the silkworm pupa NOCC group, and significantly less collagen (P<0.01) and fewer inflammatory cells and fibroblasts were detected in the animals of this group. These results suggested that the novel NOCC from silkworm pupa using the method described here have potential applications in the prevention of postoperative intestinal adhesion. Copyright © 2015 Elsevier B.V. All rights reserved.

New approximate orientation averaging of the water molecule interacting with the thermal neutron

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

Markovic, M.I.; Minic, D.M.; Rakic, A.D.

1992-02-01

This paper reports that exactly describing the time of thermal neutron collisions with water molecules, orientation averaging is performed by an exact method (EOA{sub k}) and four approximate methods (two well known and two less known). Expressions for the microscopic scattering kernel are developed. The two well-known approximate orientation averaging methods are Krieger-Nelkin (K-N) and Koppel-Young (K-Y). The results obtained by one of the two proposed approximate orientation averaging methods agree best with the corresponding results obtained by EOA{sub k}. The largest discrepancies between the EOA{sub k} results and the results of the approximate methods are obtained using the well-knowmore » K-N approximate orientation averaging method.« less

Sensitivity analysis and approximation methods for general eigenvalue problems

NASA Technical Reports Server (NTRS)

Murthy, D. V.; Haftka, R. T.

1986-01-01

Optimization of dynamic systems involving complex non-hermitian matrices is often computationally expensive. Major contributors to the computational expense are the sensitivity analysis and reanalysis of a modified design. The present work seeks to alleviate this computational burden by identifying efficient sensitivity analysis and approximate reanalysis methods. For the algebraic eigenvalue problem involving non-hermitian matrices, algorithms for sensitivity analysis and approximate reanalysis are classified, compared and evaluated for efficiency and accuracy. Proper eigenvector normalization is discussed. An improved method for calculating derivatives of eigenvectors is proposed based on a more rational normalization condition and taking advantage of matrix sparsity. Important numerical aspects of this method are also discussed. To alleviate the problem of reanalysis, various approximation methods for eigenvalues are proposed and evaluated. Linear and quadratic approximations are based directly on the Taylor series. Several approximation methods are developed based on the generalized Rayleigh quotient for the eigenvalue problem. Approximation methods based on trace theorem give high accuracy without needing any derivatives. Operation counts for the computation of the approximations are given. General recommendations are made for the selection of appropriate approximation technique as a function of the matrix size, number of design variables, number of eigenvalues of interest and the number of design points at which approximation is sought.

An accurate method for evaluating the kernel of the integral equation relating lift to downwash in unsteady potential flow

NASA Technical Reports Server (NTRS)

Desmarais, R. N.

1982-01-01

The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the nonelementary integrals in the kernel by exponential functions and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. The method can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.

The potential of achiral sponge-derived and synthetic bromoindoles as selective cytotoxins against PANC-1 tumor cells.

PubMed

Lorig-Roach, Nicholas; Hamkins-Indik, Frances; Johnson, Tyler A; Tenney, Karen; Valeriote, Frederick A; Crews, Phillip

2018-01-11

Our quest to isolate and characterize natural products with in vitro solid tumor selectivity is driven by access to repositories of Indo-Pacific sponge extracts. In this project an extract of a species of Haplosclerida sponge obtained from the US NCI Natural Products Repository displayed, by in vitro disk diffusion assay (DDA) and IC 50 determinations, selective cytotoxicity with modest potency to a human pancreatic cancer cell line (PANC-1) relative to the human lymphoblast leukemia cell line (CCRF-CEM). Two brominated indoles, the known 6-bromo conicamin ( 1 ) and the new derivative, 6-Br-8-keto-conicamin A ( 2 ), were identified and 2 (IC 50 1.5 μM for the natural product vs 4.1 μM for the synthetic material) was determined to be responsible for the cytotoxic activity of the extract against the PANC-1 tumor cell line. The new natural product and ten additional analogs were prepared for further SAR testing.

Simulation test results for lift/cruise fan research and technology aircraft

NASA Technical Reports Server (NTRS)

Bland, M. P.; Konsewicz, R. K.

1976-01-01

A flight simulation program was conducted on the flight simulator for advanced aircraft (FSAA). The flight simulation was a part of a contracted effort to provide a lift/cruise fan V/STOL aircraft mathematical model for flight simulation. The simulated aircraft is a configuration of the Lift/Cruise Fan V/STOL research technology aircraft (RTA). The aircraft was powered by three gas generators driving three fans. One lift fan was installed in the nose of the aircraft, and two lift/cruise fans at the wing root. The thrust of these fans was modulated to provide pitch and roll control, and vectored to provide yaw, side force control, and longitudinal translation. Two versions of the RTA were defined. One was powered by the GE J97/LF460 propulsion system which was gas-coupled for power transfer between fans for control. The other version was powered by DDA XT701 gas generators driving 62 inch variable pitch fans. The flight control system in both versions of the RTA was the same.

Ultrasonic mixing of epoxy curing agents

NASA Technical Reports Server (NTRS)

Hodges, W. T.; St.clair, T. L.

1983-01-01

A new technique for mixing solid curing agents into liquid epoxy resins using ultrasonic energy was developed. This procedure allows standard curing agents such as 4,4 prime-diaminodiphenyl sulfone (4,4 prime-DDS) and its 3,3 prime-isomer, (3,3 prime-DDS) to be mixed without prior melting of the curing agent. It also allows curing agents such as 4,4 prime-diaminodiphenyl sulfone (4,4 prime-DDS) and its 3,3 prime-isomer, (3,3 prime-DDS) to be mixed without prior melting of the curing agent. It also allows curing agents with very high melt temperatures such as 4,4 prime-diaminobenzophenone (4,4 prime-DABP) (242 C) to be mixed without premature curing. Four aromatic diamines were ultrasonically blended into MY-720 epoxy resin. These were 4,4 prime-DDS; 3,3 prime-DDA; 4,4 prime-DABP and 3,3 prime-DABP. Unfilled moldings were cast and cured for each system and their physical and mechanical properties compared.

Preliminary design of propulsion system for V/STOL research and technology aircraft

NASA Technical Reports Server (NTRS)

1977-01-01

The V/STOL Research and Technology Aircraft (RTA)propulsion system design effort is limited to components of the lift/cruise engines, turboshaft engine modifications, lift fan assembly, and propulsion system performance generation. The uninstalled total net thrust with all engines and fans operating at intermediate power was 37,114 pounds. Uninstalled system total net thrust was 27,102 pounds when one lift/cruise is inoperative. Components have lives above the 500 hours of the RTA duty cycle. The L/C engine used in a fixed nacelle has the cross shaft forward of the reduction gear whereas the cross shaft is aft of the reduction gear in a tilt nacelle L/C engine. The lift/cruise gearbox contains components and technologies from other DDA engines. The rotor has a 62-inch diameter and contains 22 composite blades that have a hub/tip ratio of 0.454. The blade pitch change mechanism contains hydraulic and mechanical redundancy. The lift fan assembly is completely self-contained including oil cooling in 10 exit vanes.

Novel agents that downregulate EGFR, HER2, and HER3 in parallel

PubMed Central

Ferreira, Renan Barroso; Law, Mary Elizabeth; Jahn, Stephan Christopher; Davis, Bradley John; Heldermon, Coy Don; Reinhard, Mary; Castellano, Ronald Keith; Law, Brian Keith

2015-01-01

EGFR, HER2, and HER3 contribute to the initiation and progression of human cancers, and are therapeutic targets for monoclonal antibodies and tyrosine kinase inhibitors. An important source of resistance to these agents arises from functional redundancy among EGFR, HER2, and HER3. EGFR family members contain conserved extracellular structures that are stabilized by disulfide bonds. Compounds that disrupt extracellular disulfide bonds could inactivate EGFR, HER2, and HER3 in unison. Here we describe the identification of compounds that kill breast cancer cells that overexpress EGFR or HER2. Cell death parallels downregulation of EGFR, HER2, and HER3. These compounds disrupt disulfide bonds and are termed Disulfide Bond Disrupting Agents (DDAs). DDA RBF3 exhibits anticancer efficacy in vivo at 40 mg/kg without evidence of toxicity. DDAs may complement existing EGFR-, HER2-, and HER3-targeted agents that function through alternate mechanisms of action, and combination regimens with these existing drugs may overcome therapeutic resistance. PMID:25865227

A comparison of transport algorithms for premixed, laminar steady state flames

NASA Technical Reports Server (NTRS)

Coffee, T. P.; Heimerl, J. M.

1980-01-01

The effects of different methods of approximating multispecies transport phenomena in models of premixed, laminar, steady state flames were studied. Five approximation methods that span a wide range of computational complexity were developed. Identical data for individual species properties were used for each method. Each approximation method is employed in the numerical solution of a set of five H2-02-N2 flames. For each flame the computed species and temperature profiles, as well as the computed flame speeds, are found to be very nearly independent of the approximation method used. This does not indicate that transport phenomena are unimportant, but rather that the selection of the input values for the individual species transport properties is more important than the selection of the method used to approximate the multispecies transport. Based on these results, a sixth approximation method was developed that is computationally efficient and provides results extremely close to the most sophisticated and precise method used.

Analytical approximate solutions for a general class of nonlinear delay differential equations.

PubMed

Căruntu, Bogdan; Bota, Constantin

2014-01-01

We use the polynomial least squares method (PLSM), which allows us to compute analytical approximate polynomial solutions for a very general class of strongly nonlinear delay differential equations. The method is tested by computing approximate solutions for several applications including the pantograph equations and a nonlinear time-delay model from biology. The accuracy of the method is illustrated by a comparison with approximate solutions previously computed using other methods.

26 CFR 1.985-3 - United States dollar approximate separate transactions method.

Code of Federal Regulations, 2010 CFR

2010-04-01

... transactions method. 1.985-3 Section 1.985-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE... dollar approximate separate transactions method. (a) Scope and effective date—(1) Scope. This section describes the United States dollar (dollar) approximate separate transactions method of accounting (DASTM...

A hybrid Pade-Galerkin technique for differential equations

NASA Technical Reports Server (NTRS)

Geer, James F.; Andersen, Carl M.

1993-01-01

A three-step hybrid analysis technique, which successively uses the regular perturbation expansion method, the Pade expansion method, and then a Galerkin approximation, is presented and applied to some model boundary value problems. In the first step of the method, the regular perturbation method is used to construct an approximation to the solution in the form of a finite power series in a small parameter epsilon associated with the problem. In the second step of the method, the series approximation obtained in step one is used to construct a Pade approximation in the form of a rational function in the parameter epsilon. In the third step, the various powers of epsilon which appear in the Pade approximation are replaced by new (unknown) parameters (delta(sub j)). These new parameters are determined by requiring that the residual formed by substituting the new approximation into the governing differential equation is orthogonal to each of the perturbation coordinate functions used in step one. The technique is applied to model problems involving ordinary or partial differential equations. In general, the technique appears to provide good approximations to the solution even when the perturbation and Pade approximations fail to do so. The method is discussed and topics for future investigations are indicated.

Mean-field approximation for spacing distribution functions in classical systems

NASA Astrophysics Data System (ADS)

González, Diego Luis; Pimpinelli, Alberto; Einstein, T. L.

2012-01-01

We propose a mean-field method to calculate approximately the spacing distribution functions p(n)(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p(n)(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed.

Mean-field approximation for spacing distribution functions in classical systems.

PubMed

González, Diego Luis; Pimpinelli, Alberto; Einstein, T L

2012-01-01

We propose a mean-field method to calculate approximately the spacing distribution functions p((n))(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p((n))(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed. © 2012 American Physical Society

Trajectory Optimization Using Adjoint Method and Chebyshev Polynomial Approximation for Minimizing Fuel Consumption During Climb

NASA Technical Reports Server (NTRS)

Nguyen, Nhan T.; Hornby, Gregory; Ishihara, Abe

2013-01-01

This paper describes two methods of trajectory optimization to obtain an optimal trajectory of minimum-fuel- to-climb for an aircraft. The first method is based on the adjoint method, and the second method is based on a direct trajectory optimization method using a Chebyshev polynomial approximation and cubic spine approximation. The approximate optimal trajectory will be compared with the adjoint-based optimal trajectory which is considered as the true optimal solution of the trajectory optimization problem. The adjoint-based optimization problem leads to a singular optimal control solution which results in a bang-singular-bang optimal control.

Efficient l1 -norm-based low-rank matrix approximations for large-scale problems using alternating rectified gradient method.

PubMed

Kim, Eunwoo; Lee, Minsik; Choi, Chong-Ho; Kwak, Nojun; Oh, Songhwai

2015-02-01

Low-rank matrix approximation plays an important role in the area of computer vision and image processing. Most of the conventional low-rank matrix approximation methods are based on the l2 -norm (Frobenius norm) with principal component analysis (PCA) being the most popular among them. However, this can give a poor approximation for data contaminated by outliers (including missing data), because the l2 -norm exaggerates the negative effect of outliers. Recently, to overcome this problem, various methods based on the l1 -norm, such as robust PCA methods, have been proposed for low-rank matrix approximation. Despite the robustness of the methods, they require heavy computational effort and substantial memory for high-dimensional data, which is impractical for real-world problems. In this paper, we propose two efficient low-rank factorization methods based on the l1 -norm that find proper projection and coefficient matrices using the alternating rectified gradient method. The proposed methods are applied to a number of low-rank matrix approximation problems to demonstrate their efficiency and robustness. The experimental results show that our proposals are efficient in both execution time and reconstruction performance unlike other state-of-the-art methods.

Elastic Critical Axial Force for the Torsional-Flexural Buckling of Thin-Walled Metal Members: An Approximate Method

NASA Astrophysics Data System (ADS)

Kováč, Michal

2015-03-01

Thin-walled centrically compressed members with non-symmetrical or mono-symmetrical cross-sections can buckle in a torsional-flexural buckling mode. Vlasov developed a system of governing differential equations of the stability of such member cases. Solving these coupled equations in an analytic way is only possible in simple cases. Therefore, Goľdenvejzer introduced an approximate method for the solution of this system to calculate the critical axial force of torsional-flexural buckling. Moreover, this can also be used in cases of members with various boundary conditions in bending and torsion. This approximate method for the calculation of critical force has been adopted into norms. Nowadays, we can also solve governing differential equations by numerical methods, such as the finite element method (FEM). Therefore, in this paper, the results of the approximate method and the FEM were compared to each other, while considering the FEM as a reference method. This comparison shows any discrepancies of the approximate method. Attention was also paid to when and why discrepancies occur. The approximate method can be used in practice by considering some simplifications, which ensure safe results.

Legendre-tau approximation for functional differential equations. Part 2: The linear quadratic optimal control problem

NASA Technical Reports Server (NTRS)

Ito, K.; Teglas, R.

1984-01-01

The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

Legendre-tau approximation for functional differential equations. II - The linear quadratic optimal control problem

NASA Technical Reports Server (NTRS)

Ito, Kazufumi; Teglas, Russell

1987-01-01

The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

Two Point Exponential Approximation Method for structural optimization of problems with frequency constraints

NASA Technical Reports Server (NTRS)

Fadel, G. M.

1991-01-01

The point exponential approximation method was introduced by Fadel et al. (Fadel, 1990), and tested on structural optimization problems with stress and displacement constraints. The reports in earlier papers were promising, and the method, which consists of correcting Taylor series approximations using previous design history, is tested in this paper on optimization problems with frequency constraints. The aim of the research is to verify the robustness and speed of convergence of the two point exponential approximation method when highly non-linear constraints are used.

Combining global and local approximations

NASA Technical Reports Server (NTRS)

Haftka, Raphael T.

1991-01-01

A method based on a linear approximation to a scaling factor, designated the 'global-local approximation' (GLA) method, is presented and shown capable of extending the range of usefulness of derivative-based approximations to a more refined model. The GLA approach refines the conventional scaling factor by means of a linearly varying, rather than constant, scaling factor. The capabilities of the method are demonstrated for a simple beam example with a crude and more refined FEM model.

Polymer-grafted gold nanorods in polymer thin films: Dispersion and plasmonic coupling

NASA Astrophysics Data System (ADS)

Hore, Michael-Jon Ainsley

This dissertation describes complementary experimental and theoretical studies to deter- mine the thermodynamic factors that affect the dispersion of polymer-grafted Au nanorods within polymer thin films. Au nanorods exhibit a uniform dispersion with a regular spacing for favorable brush / matrix interactions, such as poly(ethylene glycol) (PEG)-Au / poly(methyl methacrylate) (PMMA) and polystyrene (PS)-Au / poly(2,6-dimethyl-p-phenylene oxide) (PPO). For PEG-Au / PMMA, the nanorods are locally oriented and their dispersion is independent of the ratio of the degree of polymerization of the matrix (P) to that of the brush (N), α = P/N, whereas for chemically similar brush / matrix combinations, such as PS-Au / PS and PEG-Au / poly(ethylene oxide) (PEO), nanorods are randomly dispersed for α 2. For aggregated systems (α > 2), nanorods are found primarily within aggregates containing side-by-side aligned nanorods with a spacing that scales with N. UV-visible spectroscopy and discrete dipole approximation (DDA) calculations demonstrate that coupling between surface plasmons within the aggregates leads to a blue shift in the optical absorption as α increases, indicating the sensitivity of spectroscopy for determining nanorod dispersion in polymer nanocomposite films. Self-consistent field theory (SCFT) calculations and Monte Carlo (MC) simulations show that the aggregation of nanorods for α > 2 can be attributed to depletion-attraction forces caused by autophobic dewetting of the brush and matrix. Finally, miscible blends of PS and PPO are investigated as a route to control depletion-attraction interactions between PS-Au nanorods. Initially, nanorods aggregate in matrices having 50 vol. % PPO and then gradually disperse as PPO becomes the majority component. The brush and matrix density profiles, determined by SCFT, show that PPO segregates into the PS brush, and acts as a compatibilizer, which improves dispersion. As dispersion improves, coupling between surface plasmons is reduced, leading to a red shift in the optical absorption. The outcome of these systematic structure-property-modeling studies is the ability to control nanorod dispersion, orientation, and optical absorption by manipulating brush/matrix interactions and entropic depletion-attraction forces.

Mechanical System Reliability and Cost Integration Using a Sequential Linear Approximation Method

NASA Technical Reports Server (NTRS)

Kowal, Michael T.

1997-01-01

The development of new products is dependent on product designs that incorporate high levels of reliability along with a design that meets predetermined levels of system cost. Additional constraints on the product include explicit and implicit performance requirements. Existing reliability and cost prediction methods result in no direct linkage between variables affecting these two dominant product attributes. A methodology to integrate reliability and cost estimates using a sequential linear approximation method is proposed. The sequential linear approximation method utilizes probability of failure sensitivities determined from probabilistic reliability methods as well a manufacturing cost sensitivities. The application of the sequential linear approximation method to a mechanical system is demonstrated.

An approximation method for configuration optimization of trusses

NASA Technical Reports Server (NTRS)

Hansen, Scott R.; Vanderplaats, Garret N.

1988-01-01

Two- and three-dimensional elastic trusses are designed for minimum weight by varying the areas of the members and the location of the joints. Constraints on member stresses and Euler buckling are imposed and multiple static loading conditions are considered. The method presented here utilizes an approximate structural analysis based on first order Taylor series expansions of the member forces. A numerical optimizer minimizes the weight of the truss using information from the approximate structural analysis. Comparisons with results from other methods are made. It is shown that the method of forming an approximate structural analysis based on linearized member forces leads to a highly efficient method of truss configuration optimization.

Multiple zeros of polynomials

NASA Technical Reports Server (NTRS)

Wood, C. A.

1974-01-01

For polynomials of higher degree, iterative numerical methods must be used. Four iterative methods are presented for approximating the zeros of a polynomial using a digital computer. Newton's method and Muller's method are two well known iterative methods which are presented. They extract the zeros of a polynomial by generating a sequence of approximations converging to each zero. However, both of these methods are very unstable when used on a polynomial which has multiple zeros. That is, either they fail to converge to some or all of the zeros, or they converge to very bad approximations of the polynomial's zeros. This material introduces two new methods, the greatest common divisor (G.C.D.) method and the repeated greatest common divisor (repeated G.C.D.) method, which are superior methods for numerically approximating the zeros of a polynomial having multiple zeros. These methods were programmed in FORTRAN 4 and comparisons in time and accuracy are given.

Test particle propagation in magnetostatic turbulence. 2: The local approximation method

NASA Technical Reports Server (NTRS)

Klimas, A. J.; Sandri, G.; Scudder, J. D.; Howell, D. R.

1976-01-01

An approximation method for statistical mechanics is presented and applied to a class of problems which contains a test particle propagation problem. All of the available basic equations used in statistical mechanics are cast in the form of a single equation which is integrodifferential in time and which is then used as the starting point for the construction of the local approximation method. Simplification of the integrodifferential equation is achieved through approximation to the Laplace transform of its kernel. The approximation is valid near the origin in the Laplace space and is based on the assumption of small Laplace variable. No other small parameter is necessary for the construction of this approximation method. The n'th level of approximation is constructed formally, and the first five levels of approximation are calculated explicitly. It is shown that each level of approximation is governed by an inhomogeneous partial differential equation in time with time independent operator coefficients. The order in time of these partial differential equations is found to increase as n does. At n = 0 the most local first order partial differential equation which governs the Markovian limit is regained.

Double power series method for approximating cosmological perturbations

NASA Astrophysics Data System (ADS)

Wren, Andrew J.; Malik, Karim A.

2017-04-01

We introduce a double power series method for finding approximate analytical solutions for systems of differential equations commonly found in cosmological perturbation theory. The method was set out, in a noncosmological context, by Feshchenko, Shkil' and Nikolenko (FSN) in 1966, and is applicable to cases where perturbations are on subhorizon scales. The FSN method is essentially an extension of the well known Wentzel-Kramers-Brillouin (WKB) method for finding approximate analytical solutions for ordinary differential equations. The FSN method we use is applicable well beyond perturbation theory to solve systems of ordinary differential equations, linear in the derivatives, that also depend on a small parameter, which here we take to be related to the inverse wave-number. We use the FSN method to find new approximate oscillating solutions in linear order cosmological perturbation theory for a flat radiation-matter universe. Together with this model's well-known growing and decaying Mészáros solutions, these oscillating modes provide a complete set of subhorizon approximations for the metric potential, radiation and matter perturbations. Comparison with numerical solutions of the perturbation equations shows that our approximations can be made accurate to within a typical error of 1%, or better. We also set out a heuristic method for error estimation. A Mathematica notebook which implements the double power series method is made available online.

Difference equation state approximations for nonlinear hereditary control problems

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1982-01-01

Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems.

Difference equation state approximations for nonlinear hereditary control problems

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1984-01-01

Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems. Previously announced in STAR as N83-33589

The complex variable boundary element method: Applications in determining approximative boundaries

USGS Publications Warehouse

Hromadka, T.V.

1984-01-01

The complex variable boundary element method (CVBEM) is used to determine approximation functions for boundary value problems of the Laplace equation such as occurs in potential theory. By determining an approximative boundary upon which the CVBEM approximator matches the desired constant (level curves) boundary conditions, the CVBEM is found to provide the exact solution throughout the interior of the transformed problem domain. Thus, the acceptability of the CVBEM approximation is determined by the closeness-of-fit of the approximative boundary to the study problem boundary. ?? 1984.

Chitinase Chi1 from Myceliophthora thermophila C1, a Thermostable Enzyme for Chitin and Chitosan Depolymerization

PubMed Central

2018-01-01

A thermostable Chitinase Chi1 from Myceliophthora thermophila C1 was homologously produced and characterized. Chitinase Chi1 shows high thermostability at 40 °C (>140 h 90% activity), 50 °C (>168 h 90% activity), and 55 °C (half-life 48 h). Chitinase Chi1 has broad substrate specificity and converts chitin, chitosan, modified chitosan, and chitin oligosaccharides. The activity of Chitinase Chi1 is strongly affected by the degree of deacetylation (DDA), molecular weight (Mw), and side chain modification of chitosan. Chitinase Chi1 releases mainly (GlcNAc)2 from insoluble chitin and chito-oligosaccharides with a polymerization degree (DP) ranging from 2 to 12 from chitosan, in a processive way. Chitinase Chi1 shows higher activity toward chitin oligosaccharides (GlcNAc)4–6 than toward (GlcNAc)3 and is inactive for (GlcNAc)2. During hydrolysis, oligosaccharides bind at subsites −2 to +2 in the enzyme’s active site. Chitinase Chi1 can be used for chitin valorisation and for production of chitin- and chito-oligosaccharides at industrial scale. PMID:29359934

Chitinase Chi1 from Myceliophthora thermophila C1, a Thermostable Enzyme for Chitin and Chitosan Depolymerization.

PubMed

Krolicka, Malgorzata; Hinz, Sandra W A; Koetsier, Martijn J; Joosten, Rob; Eggink, Gerrit; van den Broek, Lambertus A M; Boeriu, Carmen G

2018-02-21

A thermostable Chitinase Chi1 from Myceliophthora thermophila C1 was homologously produced and characterized. Chitinase Chi1 shows high thermostability at 40 °C (>140 h 90% activity), 50 °C (>168 h 90% activity), and 55 °C (half-life 48 h). Chitinase Chi1 has broad substrate specificity and converts chitin, chitosan, modified chitosan, and chitin oligosaccharides. The activity of Chitinase Chi1 is strongly affected by the degree of deacetylation (DDA), molecular weight (Mw), and side chain modification of chitosan. Chitinase Chi1 releases mainly (GlcNAc) 2 from insoluble chitin and chito-oligosaccharides with a polymerization degree (DP) ranging from 2 to 12 from chitosan, in a processive way. Chitinase Chi1 shows higher activity toward chitin oligosaccharides (GlcNAc) 4-6 than toward (GlcNAc) 3 and is inactive for (GlcNAc) 2 . During hydrolysis, oligosaccharides bind at subsites -2 to +2 in the enzyme's active site. Chitinase Chi1 can be used for chitin valorisation and for production of chitin- and chito-oligosaccharides at industrial scale.

Activity of adenylyl cyclase and protein kinase A contributes to morphine-induced spinal apoptosis.

PubMed

Lim, Grewo; Wang, Shuxing; Lim, Jeong-Ae; Mao, Jianren

2005-12-02

Our previous study has shown that chronic morphine exposure induces neuronal apoptosis within the spinal cord dorsal horn; however, the mechanisms of morphine-induced apoptosis remain unclear. Here we examined whether adenylyl cyclase (AC) and protein kinase A (PKA) would play a role in this process. Intrathecal morphine regimen (10 microg, twice daily x 7 days) that resulted in antinociceptive tolerance induced spinal apoptosis as revealed by in situ terminal deoxynucleotidyl transferase (TdT)-UTP-biotin nick end labeling (TUNEL). The TUNEL-positive cells were detected primarily in the superficial laminae of the spinal cord dorsal horn, which was associated with an increase in the expression of activated caspase-3 and mitogen-activated protein kinase (MAPK) within the same spinal region. Co-administration of morphine with a broad AC inhibitor (ddA), a PKA inhibitor (H89), or a MAPK inhibitor (PD98059) substantially reduced the number of TUNEL-positive cells, as compared with the morphine alone group. The results indicate that the spinal AC and PKA pathway through intracellular MAPK may be contributory to the cellular mechanisms of morphine-induced apoptosis.

Approximation and inference methods for stochastic biochemical kinetics—a tutorial review

NASA Astrophysics Data System (ADS)

Schnoerr, David; Sanguinetti, Guido; Grima, Ramon

2017-03-01

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose dynamics are governed by the chemical master equation. Despite its simple structure, no analytic solutions to the chemical master equation are known for most systems. Moreover, stochastic simulations are computationally expensive, making systematic analysis and statistical inference a challenging task. Consequently, significant effort has been spent in recent decades on the development of efficient approximation and inference methods. This article gives an introduction to basic modelling concepts as well as an overview of state of the art methods. First, we motivate and introduce deterministic and stochastic methods for modelling chemical networks, and give an overview of simulation and exact solution methods. Next, we discuss several approximation methods, including the chemical Langevin equation, the system size expansion, moment closure approximations, time-scale separation approximations and hybrid methods. We discuss their various properties and review recent advances and remaining challenges for these methods. We present a comparison of several of these methods by means of a numerical case study and highlight some of their respective advantages and disadvantages. Finally, we discuss the problem of inference from experimental data in the Bayesian framework and review recent methods developed the literature. In summary, this review gives a self-contained introduction to modelling, approximations and inference methods for stochastic chemical kinetics.

Neural Network and Regression Approximations in High Speed Civil Transport Aircraft Design Optimization

NASA Technical Reports Server (NTRS)

Patniak, Surya N.; Guptill, James D.; Hopkins, Dale A.; Lavelle, Thomas M.

1998-01-01

Nonlinear mathematical-programming-based design optimization can be an elegant method. However, the calculations required to generate the merit function, constraints, and their gradients, which are frequently required, can make the process computational intensive. The computational burden can be greatly reduced by using approximating analyzers derived from an original analyzer utilizing neural networks and linear regression methods. The experience gained from using both of these approximation methods in the design optimization of a high speed civil transport aircraft is the subject of this paper. The Langley Research Center's Flight Optimization System was selected for the aircraft analysis. This software was exercised to generate a set of training data with which a neural network and a regression method were trained, thereby producing the two approximating analyzers. The derived analyzers were coupled to the Lewis Research Center's CometBoards test bed to provide the optimization capability. With the combined software, both approximation methods were examined for use in aircraft design optimization, and both performed satisfactorily. The CPU time for solution of the problem, which had been measured in hours, was reduced to minutes with the neural network approximation and to seconds with the regression method. Instability encountered in the aircraft analysis software at certain design points was also eliminated. On the other hand, there were costs and difficulties associated with training the approximating analyzers. The CPU time required to generate the input-output pairs and to train the approximating analyzers was seven times that required for solution of the problem.

Approximate Genealogies Under Genetic Hitchhiking

PubMed Central

Pfaffelhuber, P.; Haubold, B.; Wakolbinger, A.

2006-01-01

The rapid fixation of an advantageous allele leads to a reduction in linked neutral variation around the target of selection. The genealogy at a neutral locus in such a selective sweep can be simulated by first generating a random path of the advantageous allele's frequency and then a structured coalescent in this background. Usually the frequency path is approximated by a logistic growth curve. We discuss an alternative method that approximates the genealogy by a random binary splitting tree, a so-called Yule tree that does not require first constructing a frequency path. Compared to the coalescent in a logistic background, this method gives a slightly better approximation for identity by descent during the selective phase and a much better approximation for the number of lineages that stem from the founder of the selective sweep. In applications such as the approximation of the distribution of Tajima's D, the two approximation methods perform equally well. For relevant parameter ranges, the Yule approximation is faster. PMID:17182733

Evaluation of Several Approximate Methods for Calculating the Symmetrical Bending-Moment Response of Flexible Airplanes to Isotropic Atmospheric Turbulence

NASA Technical Reports Server (NTRS)

Bennett, Floyd V.; Yntema, Robert T.

1959-01-01

Several approximate procedures for calculating the bending-moment response of flexible airplanes to continuous isotropic turbulence are presented and evaluated. The modal methods (the mode-displacement and force-summation methods) and a matrix method (segmented-wing method) are considered. These approximate procedures are applied to a simplified airplane for which an exact solution to the equation of motion can be obtained. The simplified airplane consists of a uniform beam with a concentrated fuselage mass at the center. Airplane motions are limited to vertical rigid-body translation and symmetrical wing bending deflections. Output power spectra of wing bending moments based on the exact transfer-function solutions are used as a basis for the evaluation of the approximate methods. It is shown that the force-summation and the matrix methods give satisfactory accuracy and that the mode-displacement method gives unsatisfactory accuracy.

Dual methods and approximation concepts in structural synthesis

NASA Technical Reports Server (NTRS)

Fleury, C.; Schmit, L. A., Jr.

1980-01-01

Approximation concepts and dual method algorithms are combined to create a method for minimum weight design of structural systems. Approximation concepts convert the basic mathematical programming statement of the structural synthesis problem into a sequence of explicit primal problems of separable form. These problems are solved by constructing explicit dual functions, which are maximized subject to nonnegativity constraints on the dual variables. It is shown that the joining together of approximation concepts and dual methods can be viewed as a generalized optimality criteria approach. The dual method is successfully extended to deal with pure discrete and mixed continuous-discrete design variable problems. The power of the method presented is illustrated with numerical results for example problems, including a metallic swept wing and a thin delta wing with fiber composite skins.

Adaptive Discontinuous Evolution Galerkin Method for Dry Atmospheric Flow

DTIC Science & Technology

2013-04-02

standard one-dimensional approximate Riemann solver used for the flux integration demonstrate better stability, accuracy as well as reliability of the...discontinuous evolution Galerkin method for dry atmospheric convection. Comparisons with the standard one-dimensional approximate Riemann solver used...instead of a standard one- dimensional approximate Riemann solver , the flux integration within the discontinuous Galerkin method is now realized by

Approximation of the exponential integral (well function) using sampling methods

NASA Astrophysics Data System (ADS)

Baalousha, Husam Musa

2015-04-01

Exponential integral (also known as well function) is often used in hydrogeology to solve Theis and Hantush equations. Many methods have been developed to approximate the exponential integral. Most of these methods are based on numerical approximations and are valid for a certain range of the argument value. This paper presents a new approach to approximate the exponential integral. The new approach is based on sampling methods. Three different sampling methods; Latin Hypercube Sampling (LHS), Orthogonal Array (OA), and Orthogonal Array-based Latin Hypercube (OA-LH) have been used to approximate the function. Different argument values, covering a wide range, have been used. The results of sampling methods were compared with results obtained by Mathematica software, which was used as a benchmark. All three sampling methods converge to the result obtained by Mathematica, at different rates. It was found that the orthogonal array (OA) method has the fastest convergence rate compared with LHS and OA-LH. The root mean square error RMSE of OA was in the order of 1E-08. This method can be used with any argument value, and can be used to solve other integrals in hydrogeology such as the leaky aquifer integral.

Interpolation Method Needed for Numerical Uncertainty

NASA Technical Reports Server (NTRS)

Groves, Curtis E.; Ilie, Marcel; Schallhorn, Paul A.

2014-01-01

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors.

The blind leading the blind: Mutual refinement of approximate theories

NASA Technical Reports Server (NTRS)

Kedar, Smadar T.; Bresina, John L.; Dent, C. Lisa

1991-01-01

The mutual refinement theory, a method for refining world models in a reactive system, is described. The method detects failures, explains their causes, and repairs the approximate models which cause the failures. The approach focuses on using one approximate model to refine another.

Efficient solution of parabolic equations by Krylov approximation methods

NASA Technical Reports Server (NTRS)

Gallopoulos, E.; Saad, Y.

1990-01-01

Numerical techniques for solving parabolic equations by the method of lines is addressed. The main motivation for the proposed approach is the possibility of exploiting a high degree of parallelism in a simple manner. The basic idea of the method is to approximate the action of the evolution operator on a given state vector by means of a projection process onto a Krylov subspace. Thus, the resulting approximation consists of applying an evolution operator of a very small dimension to a known vector which is, in turn, computed accurately by exploiting well-known rational approximations to the exponential. Because the rational approximation is only applied to a small matrix, the only operations required with the original large matrix are matrix-by-vector multiplications, and as a result the algorithm can easily be parallelized and vectorized. Some relevant approximation and stability issues are discussed. We present some numerical experiments with the method and compare its performance with a few explicit and implicit algorithms.

Contaminant Boundary at the Faultless Underground Nuclear Test

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

Greg Pohll; Karl Pohlmann; Jeff Daniels

The U.S. Department of Energy (DOE) and the Nevada Division of Environmental Protection (NDEP) have reached agreement on a corrective action strategy applicable to address the extent and potential impact of radionuclide contamination of groundwater at underground nuclear test locations. This strategy is described in detail in the Federal Facility Agreement and Consent Order (FFACO, 2000). As part of the corrective action strategy, the nuclear detonations that occurred underground were identified as geographically distinct corrective action units (CAUs). The strategic objective for each CAU is to estimate over a 1,000-yr time period, with uncertainty quantified, the three-dimensional extent of groundwatermore » contamination that would be considered unsafe for domestic and municipal use. Two types of boundaries (contaminant and compliance) are discussed in the FFACO that will map the three-dimensional extent of radionuclide contamination. The contaminant boundary will identify the region wi th 95 percent certainty that contaminants do not exist above a threshold value. It will be prepared by the DOE and presented to NDEP. The compliance boundary will be produced as a result of negotiation between the DOE and NDEP, and can be coincident with, or differ from, the contaminant boundary. Two different thresholds are considered for the contaminant boundary. One is based on the enforceable National Primary Drinking Water Regulations for radionuclides, which were developed as a requirement of the Safe Drinking Water Act. The other is a risk-based threshold considering applicable lifetime excess cancer-risk-based criteria The contaminant boundary for the Faultless underground nuclear test at the Central Nevada Test Area (CNTA) is calculated using a newly developed groundwater flow and radionuclide transport model that incorporates aspects of both the original three-dimensional model (Pohlmann et al., 1999) and the two-dimensional model developed for the Faultless data decision analysis (DDA) (Pohll and Mihevc, 2000). This new model includes the uncertainty in the three-dimensional spatial distribution of lithology and hydraulic conductivity from the 1999 model as well as the uncertainty in the other flow and transport parameters from the 2000 DDA model. Additionally, the new model focuses on a much smaller region than was included in the earlier models, that is, the subsurface within the UC-1 land withdrawal area where the 1999 model predicted radionuclide transport will occur over the next 1,000 years. The purpose of this unclassified document is to present the modifications to the CNTA groundwater flow and transport model, to present the methodology used to calculate contaminant boundaries, and to present the Safe Drinking Water Act and risk-derived contaminant boundaries for the Faultless underground nuclear test CAU.« less

Approximate error conjugation gradient minimization methods

DOEpatents

Kallman, Jeffrey S

2013-05-21

In one embodiment, a method includes selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, calculating an approximate error using the subset of rays, and calculating a minimum in a conjugate gradient direction based on the approximate error. In another embodiment, a system includes a processor for executing logic, logic for selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, logic for calculating an approximate error using the subset of rays, and logic for calculating a minimum in a conjugate gradient direction based on the approximate error. In other embodiments, computer program products, methods, and systems are described capable of using approximate error in constrained conjugate gradient minimization problems.

The Relation of Finite Element and Finite Difference Methods

NASA Technical Reports Server (NTRS)

Vinokur, M.

1976-01-01

Finite element and finite difference methods are examined in order to bring out their relationship. It is shown that both methods use two types of discrete representations of continuous functions. They differ in that finite difference methods emphasize the discretization of independent variable, while finite element methods emphasize the discretization of dependent variable (referred to as functional approximations). An important point is that finite element methods use global piecewise functional approximations, while finite difference methods normally use local functional approximations. A general conclusion is that finite element methods are best designed to handle complex boundaries, while finite difference methods are superior for complex equations. It is also shown that finite volume difference methods possess many of the advantages attributed to finite element methods.

Evaluation of Jacobian determinants by Monte Carlo methods: Application to the quasiclassical approximation in molecular scattering

NASA Technical Reports Server (NTRS)

Labudde, R. A.

1971-01-01

A technique is described which can be used to evaluate Jacobian determinants which occur in classical mechanical and quasiclassical approximation descriptions of molecular scattering. The method may be valuable in the study of reactive scattering using the quasiclassical approximation.

UNAERO: A package of FORTRAN subroutines for approximating unsteady aerodynamics in the time domain

NASA Technical Reports Server (NTRS)

Dunn, H. J.

1985-01-01

This report serves as an instruction and maintenance manual for a collection of CDC CYBER FORTRAN IV subroutines for approximating the unsteady aerodynamic forces in the time domain. The result is a set of constant-coefficient first-order differential equations that approximate the dynamics of the vehicle. Provisions are included for adjusting the number of modes used for calculating the approximations so that an accurate approximation is generated. The number of data points at different values of reduced frequency can also be varied to adjust the accuracy of the approximation over the reduced-frequency range. The denominator coefficients of the approximation may be calculated by means of a gradient method or a least-squares approximation technique. Both the approximation methods use weights on the residual error. A new set of system equations, at a different dynamic pressure, can be generated without the approximations being recalculated.

Approximation methods for control of structural acoustics models with piezoceramic actuators

NASA Astrophysics Data System (ADS)

Banks, H. T.; Fang, W.; Silcox, R. J.; Smith, R. C.

1993-01-01

The active control of acoustic pressure in a 2-D cavity with a flexible boundary (a beam) is considered. Specifically, this control is implemented via piezoceramic patches on the beam which produces pure bending moments. The incorporation of the feedback control in this manner leads to a system with an unbounded input term. Approximation methods in this manner leads to a system with an unbounded input term. Approximation methods in this manner leads to a system with an unbounded input team. Approximation methods in the context of linear quadratic regulator (LQR) state space control formulation are discussed and numerical results demonstrating the effectiveness of this approach in computing feedback controls for noise reduction are presented.

Quantum Approximate Methods for the Atomistic Modeling of Multicomponent Alloys. Chapter 7

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Garces, Jorge; Mosca, Hugo; Gargano, pablo; Noebe, Ronald D.; Abel, Phillip

2007-01-01

This chapter describes the role of quantum approximate methods in the understanding of complex multicomponent alloys at the atomic level. The need to accelerate materials design programs based on economical and efficient modeling techniques provides the framework for the introduction of approximations and simplifications in otherwise rigorous theoretical schemes. As a promising example of the role that such approximate methods might have in the development of complex systems, the BFS method for alloys is presented and applied to Ru-rich Ni-base superalloys and also to the NiAI(Ti,Cu) system, highlighting the benefits that can be obtained from introducing simple modeling techniques to the investigation of such complex systems.

Trajectories for High Specific Impulse High Specific Power Deep Space Exploration

NASA Technical Reports Server (NTRS)

Polsgrove, T.; Adams, R. B.; Brady, Hugh J. (Technical Monitor)

2002-01-01

Preliminary results are presented for two methods to approximate the mission performance of high specific impulse high specific power vehicles. The first method is based on an analytical approximation derived by Williams and Shepherd and can be used to approximate mission performance to outer planets and interstellar space. The second method is based on a parametric analysis of trajectories created using the well known trajectory optimization code, VARITOP. This parametric analysis allows the reader to approximate payload ratios and optimal power requirements for both one-way and round-trip missions. While this second method only addresses missions to and from Jupiter, future work will encompass all of the outer planet destinations and some interstellar precursor missions.

Definition of a RACK1 Interaction Network in Drosophila melanogaster Using SWATH-MS.

PubMed

Kuhn, Lauriane; Majzoub, Karim; Einhorn, Evelyne; Chicher, Johana; Pompon, Julien; Imler, Jean-Luc; Hammann, Philippe; Meignin, Carine

2017-07-05

Receptor for Activated protein C kinase 1 (RACK1) is a scaffold protein that has been found in association with several signaling complexes, and with the 40S subunit of the ribosome. Using the model organism Drosophila melanogaster , we recently showed that RACK1 is required at the ribosome for internal ribosome entry site (IRES)-mediated translation of viruses. Here, we report a proteomic characterization of the interactome of RACK1 in Drosophila S2 cells. We carried out Label-Free quantitation using both Data-Dependent and Data-Independent Acquisition (DDA and DIA, respectively) and observed a significant advantage for the Sequential Window Acquisition of all THeoretical fragment-ion spectra (SWATH) method, both in terms of identification of interactants and quantification of low abundance proteins. These data represent the first SWATH spectral library available for Drosophila and will be a useful resource for the community. A total of 52 interacting proteins were identified, including several molecules involved in translation such as structural components of the ribosome, factors regulating translation initiation or elongation, and RNA binding proteins. Among these 52 proteins, 15 were identified as partners by the SWATH strategy only. Interestingly, these 15 proteins are significantly enriched for the functions translation and nucleic acid binding. This enrichment reflects the engagement of RACK1 at the ribosome and highlights the added value of SWATH analysis. A functional screen did not reveal any protein sharing the interesting properties of RACK1, which is required for IRES-dependent translation and not essential for cell viability. Intriguingly however, 10 of the RACK1 partners identified restrict replication of Cricket paralysis virus (CrPV), an IRES-containing virus. Copyright © 2017 Kuhn et al.

Nonlinear programming extensions to rational function approximation methods for unsteady aerodynamic forces

NASA Technical Reports Server (NTRS)

Tiffany, Sherwood H.; Adams, William M., Jr.

1988-01-01

The approximation of unsteady generalized aerodynamic forces in the equations of motion of a flexible aircraft are discussed. Two methods of formulating these approximations are extended to include the same flexibility in constraining the approximations and the same methodology in optimizing nonlinear parameters as another currently used extended least-squares method. Optimal selection of nonlinear parameters is made in each of the three methods by use of the same nonlinear, nongradient optimizer. The objective of the nonlinear optimization is to obtain rational approximations to the unsteady aerodynamics whose state-space realization is lower order than that required when no optimization of the nonlinear terms is performed. The free linear parameters are determined using the least-squares matrix techniques of a Lagrange multiplier formulation of an objective function which incorporates selected linear equality constraints. State-space mathematical models resulting from different approaches are described and results are presented that show comparative evaluations from application of each of the extended methods to a numerical example.

Analysis of vestibular schwannoma size in multiple dimensions: a comparative cohort study of different measurement techniques.

PubMed

Varughese, J K; Wentzel-Larsen, T; Vassbotn, F; Moen, G; Lund-Johansen, M

2010-04-01

In this volumetric study of the vestibular schwannoma, we evaluated the accuracy and reliability of several approximation methods that are in use, and determined the minimum volume difference that needs to be measured for it to be attributable to an actual difference rather than a retest error. We also found empirical proportionality coefficients for the different methods. DESIGN/SETTING AND PARTICIPANTS: Methodological study with investigation of three different VS measurement methods compared to a reference method that was based on serial slice volume estimates. These volume estimates were based on: (i) one single diameter, (ii) three orthogonal diameters or (iii) the maximal slice area. Altogether 252 T1-weighted MRI images with gadolinium contrast, from 139 VS patients, were examined. The retest errors, in terms of relative percentages, were determined by undertaking repeated measurements on 63 scans for each method. Intraclass correlation coefficients were used to assess the agreement between each of the approximation methods and the reference method. The tendency for approximation methods to systematically overestimate/underestimate different-sized tumours was also assessed, with the help of Bland-Altman plots. The most commonly used approximation method, the maximum diameter, was the least reliable measurement method and has inherent weaknesses that need to be considered. This includes greater retest errors than area-based measurements (25% and 15%, respectively), and that it was the only approximation method that could not easily be converted into volumetric units. Area-based measurements can furthermore be more reliable for smaller volume differences than diameter-based measurements. All our findings suggest that the maximum diameter should not be used as an approximation method. We propose the use of measurement modalities that take into account growth in multiple dimensions instead.

Scattering from very rough layers under the geometric optics approximation: further investigation.

PubMed

Pinel, Nicolas; Bourlier, Christophe

2008-06-01

Scattering from very rough homogeneous layers is studied in the high-frequency limit (under the geometric optics approximation) by taking the shadowing effect into account. To do so, the iterated Kirchhoff approximation, recently developed by Pinel et al. [Waves Random Complex Media17, 283 (2007)] and reduced to the geometric optics approximation, is used and investigated in more detail. The contributions from the higher orders of scattering inside the rough layer are calculated under the iterated Kirchhoff approximation. The method can be applied to rough layers of either very rough or perfectly flat lower interfaces, separating either lossless or lossy media. The results are compared with the PILE (propagation-inside-layer expansion) method, recently developed by Déchamps et al. [J. Opt. Soc. Am. A23, 359 (2006)], and accelerated by the forward-backward method with spectral acceleration. They highlight that there is very good agreement between the developed method and the reference numerical method for all scattering orders and that the method can be applied to root-mean-square (RMS) heights at least down to 0.25lambda.

Extending the Fellegi-Sunter probabilistic record linkage method for approximate field comparators.

PubMed

DuVall, Scott L; Kerber, Richard A; Thomas, Alun

2010-02-01

Probabilistic record linkage is a method commonly used to determine whether demographic records refer to the same person. The Fellegi-Sunter method is a probabilistic approach that uses field weights based on log likelihood ratios to determine record similarity. This paper introduces an extension of the Fellegi-Sunter method that incorporates approximate field comparators in the calculation of field weights. The data warehouse of a large academic medical center was used as a case study. The approximate comparator extension was compared with the Fellegi-Sunter method in its ability to find duplicate records previously identified in the data warehouse using different demographic fields and matching cutoffs. The approximate comparator extension misclassified 25% fewer pairs and had a larger Welch's T statistic than the Fellegi-Sunter method for all field sets and matching cutoffs. The accuracy gain provided by the approximate comparator extension grew as less information was provided and as the matching cutoff increased. Given the ubiquity of linkage in both clinical and research settings, the incremental improvement of the extension has the potential to make a considerable impact.

Calculation of light delay for coupled microrings by FDTD technique and Padé approximation.

PubMed

Huang, Yong-Zhen; Yang, Yue-De

2009-11-01

The Padé approximation with Baker's algorithm is compared with the least-squares Prony method and the generalized pencil-of-functions (GPOF) method for calculating mode frequencies and mode Q factors for coupled optical microdisks by FDTD technique. Comparisons of intensity spectra and the corresponding mode frequencies and Q factors show that the Padé approximation can yield more stable results than the Prony and the GPOF methods, especially the intensity spectrum. The results of the Prony method and the GPOF method are greatly influenced by the selected number of resonant modes, which need to be optimized during the data processing, in addition to the length of the time response signal. Furthermore, the Padé approximation is applied to calculate light delay for embedded microring resonators from complex transmission spectra obtained by the Padé approximation from a FDTD output. The Prony and the GPOF methods cannot be applied to calculate the transmission spectra, because the transmission signal obtained by the FDTD simulation cannot be expressed as a sum of damped complex exponentials.

More on approximations of Poisson probabilities

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

Kao, C

1980-05-01

Calculation of Poisson probabilities frequently involves calculating high factorials, which becomes tedious and time-consuming with regular calculators. The usual way to overcome this difficulty has been to find approximations by making use of the table of the standard normal distribution. A new transformation proposed by Kao in 1978 appears to perform better for this purpose than traditional transformations. In the present paper several approximation methods are stated and compared numerically, including an approximation method that utilizes a modified version of Kao's transformation. An approximation based on a power transformation was found to outperform those based on the square-root type transformationsmore » as proposed in literature. The traditional Wilson-Hilferty approximation and Makabe-Morimura approximation are extremely poor compared with this approximation. 4 tables. (RWR)« less

Application of the probabilistic approximate analysis method to a turbopump blade analysis. [for Space Shuttle Main Engine

NASA Technical Reports Server (NTRS)

Thacker, B. H.; Mcclung, R. C.; Millwater, H. R.

1990-01-01

An eigenvalue analysis of a typical space propulsion system turbopump blade is presented using an approximate probabilistic analysis methodology. The methodology was developed originally to investigate the feasibility of computing probabilistic structural response using closed-form approximate models. This paper extends the methodology to structures for which simple closed-form solutions do not exist. The finite element method will be used for this demonstration, but the concepts apply to any numerical method. The results agree with detailed analysis results and indicate the usefulness of using a probabilistic approximate analysis in determining efficient solution strategies.

Legendre-tau approximations for functional differential equations

NASA Technical Reports Server (NTRS)

Ito, K.; Teglas, R.

1986-01-01

The numerical approximation of solutions to linear retarded functional differential equations are considered using the so-called Legendre-tau method. The functional differential equation is first reformulated as a partial differential equation with a nonlocal boundary condition involving time-differentiation. The approximate solution is then represented as a truncated Legendre series with time-varying coefficients which satisfy a certain system of ordinary differential equations. The method is very easy to code and yields very accurate approximations. Convergence is established, various numerical examples are presented, and comparison between the latter and cubic spline approximation is made.

Legendre-Tau approximations for functional differential equations

NASA Technical Reports Server (NTRS)

Ito, K.; Teglas, R.

1983-01-01

The numerical approximation of solutions to linear functional differential equations are considered using the so called Legendre tau method. The functional differential equation is first reformulated as a partial differential equation with a nonlocal boundary condition involving time differentiation. The approximate solution is then represented as a truncated Legendre series with time varying coefficients which satisfy a certain system of ordinary differential equations. The method is very easy to code and yields very accurate approximations. Convergence is established, various numerical examples are presented, and comparison between the latter and cubic spline approximations is made.

Eigenvalue and eigenvector sensitivity and approximate analysis for repeated eigenvalue problems

NASA Technical Reports Server (NTRS)

Hou, Gene J. W.; Kenny, Sean P.

1991-01-01

A set of computationally efficient equations for eigenvalue and eigenvector sensitivity analysis are derived, and a method for eigenvalue and eigenvector approximate analysis in the presence of repeated eigenvalues is presented. The method developed for approximate analysis involves a reparamaterization of the multivariable structural eigenvalue problem in terms of a single positive-valued parameter. The resulting equations yield first-order approximations of changes in both the eigenvalues and eigenvectors associated with the repeated eigenvalue problem. Examples are given to demonstrate the application of such equations for sensitivity and approximate analysis.

Monotonically improving approximate answers to relational algebra queries

NASA Technical Reports Server (NTRS)

Smith, Kenneth P.; Liu, J. W. S.

1989-01-01

We present here a query processing method that produces approximate answers to queries posed in standard relational algebra. This method is monotone in the sense that the accuracy of the approximate result improves with the amount of time spent producing the result. This strategy enables us to trade the time to produce the result for the accuracy of the result. An approximate relational model that characterizes appromimate relations and a partial order for comparing them is developed. Relational operators which operate on and return approximate relations are defined.

Approximate Dynamic Programming: Combining Regional and Local State Following Approximations.

PubMed

Deptula, Patryk; Rosenfeld, Joel A; Kamalapurkar, Rushikesh; Dixon, Warren E

2018-06-01

An infinite-horizon optimal regulation problem for a control-affine deterministic system is solved online using a local state following (StaF) kernel and a regional model-based reinforcement learning (R-MBRL) method to approximate the value function. Unlike traditional methods such as R-MBRL that aim to approximate the value function over a large compact set, the StaF kernel approach aims to approximate the value function in a local neighborhood of the state that travels within a compact set. In this paper, the value function is approximated using a state-dependent convex combination of the StaF-based and the R-MBRL-based approximations. As the state enters a neighborhood containing the origin, the value function transitions from being approximated by the StaF approach to the R-MBRL approach. Semiglobal uniformly ultimately bounded (SGUUB) convergence of the system states to the origin is established using a Lyapunov-based analysis. Simulation results are provided for two, three, six, and ten-state dynamical systems to demonstrate the scalability and performance of the developed method.

Approximate l-fold cross-validation with Least Squares SVM and Kernel Ridge Regression

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

Edwards, Richard E; Zhang, Hao; Parker, Lynne Edwards

2013-01-01

Kernel methods have difficulties scaling to large modern data sets. The scalability issues are based on computational and memory requirements for working with a large matrix. These requirements have been addressed over the years by using low-rank kernel approximations or by improving the solvers scalability. However, Least Squares Support VectorMachines (LS-SVM), a popular SVM variant, and Kernel Ridge Regression still have several scalability issues. In particular, the O(n^3) computational complexity for solving a single model, and the overall computational complexity associated with tuning hyperparameters are still major problems. We address these problems by introducing an O(n log n) approximate l-foldmore » cross-validation method that uses a multi-level circulant matrix to approximate the kernel. In addition, we prove our algorithm s computational complexity and present empirical runtimes on data sets with approximately 1 million data points. We also validate our approximate method s effectiveness at selecting hyperparameters on real world and standard benchmark data sets. Lastly, we provide experimental results on using a multi-level circulant kernel approximation to solve LS-SVM problems with hyperparameters selected using our method.« less

Radiative properties of flame-generated soot

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

Koeylue, U.O.; Faeth, G.M.

1993-05-01

Approximate methods for estimating the optical properties of flame-generated soot aggregates were evaluated using existing computer simulations and measurements in the visible and near-infrared portions of the spectrum. The following approximate methods were evaluated for both individual aggregates and polydisperse aggregate populations: the Rayleigh scattering approximation, Mie scattering for an equivalent sphere, and Rayleigh-Debye-Gans (R-D-G) scattering for both given and fractal aggregates. Results of computer simulations involved both prescribed aggregate geometry and numerically generated aggregates by cluster-cluster aggregation; multiple scattering was considered exactly using the mean-field approximation, and ignored using the R-D-G approximation. Measurements involved the angular scattering properties ofmore » soot in the postflame regions of both premixed and nonpremixed flames. The results show that available computer simulations and measurements of soot aggregate optical properties are not adequate to provide a definitive evaluation of the approximate prediction methods. 40 refs., 7 figs., 1 tab.« less

Low rank approximation method for efficient Green's function calculation of dissipative quantum transport

NASA Astrophysics Data System (ADS)

Zeng, Lang; He, Yu; Povolotskyi, Michael; Liu, XiaoYan; Klimeck, Gerhard; Kubis, Tillmann

2013-06-01

In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied to inelastic transport in various semiconductor nanodevices. Detailed benchmarks with exact NEGF solutions show (1) a very good agreement between approximated and exact NEGF results, (2) a significant reduction of the required memory, and (3) a large reduction of the computational time (a factor of speed up as high as 150 times is observed). A non-recursive solution of the inelastic NEGF transport equations of a 1000 nm long resistor on standard hardware illustrates nicely the capability of this new method.

Computational methods for estimation of parameters in hyperbolic systems

NASA Technical Reports Server (NTRS)

Banks, H. T.; Ito, K.; Murphy, K. A.

1983-01-01

Approximation techniques for estimating spatially varying coefficients and unknown boundary parameters in second order hyperbolic systems are discussed. Methods for state approximation (cubic splines, tau-Legendre) and approximation of function space parameters (interpolatory splines) are outlined and numerical findings for use of the resulting schemes in model "one dimensional seismic inversion' problems are summarized.

Interpolation Method Needed for Numerical Uncertainty Analysis of Computational Fluid Dynamics

NASA Technical Reports Server (NTRS)

Groves, Curtis; Ilie, Marcel; Schallhorn, Paul

2014-01-01

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors in an unstructured grid, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors. Nomenclature

Boundary Approximation Methods for Sloving Elliptic Problems on Unbounded Domains

NASA Astrophysics Data System (ADS)

Li, Zi-Cai; Mathon, Rudolf

1990-08-01

Boundary approximation methods with partial solutions are presented for solving a complicated problem on an unbounded domain, with both a crack singularity and a corner singularity. Also an analysis of partial solutions near the singular points is provided. These methods are easy to apply, have good stability properties, and lead to highly accurate solutions. Hence, boundary approximation methods with partial solutions are recommended for the treatment of elliptic problems on unbounded domains provided that piecewise solution expansions, in particular, asymptotic solutions near the singularities and infinity, can be found.

Structural Reliability Analysis and Optimization: Use of Approximations

NASA Technical Reports Server (NTRS)

Grandhi, Ramana V.; Wang, Liping

1999-01-01

This report is intended for the demonstration of function approximation concepts and their applicability in reliability analysis and design. Particularly, approximations in the calculation of the safety index, failure probability and structural optimization (modification of design variables) are developed. With this scope in mind, extensive details on probability theory are avoided. Definitions relevant to the stated objectives have been taken from standard text books. The idea of function approximations is to minimize the repetitive use of computationally intensive calculations by replacing them with simpler closed-form equations, which could be nonlinear. Typically, the approximations provide good accuracy around the points where they are constructed, and they need to be periodically updated to extend their utility. There are approximations in calculating the failure probability of a limit state function. The first one, which is most commonly discussed, is how the limit state is approximated at the design point. Most of the time this could be a first-order Taylor series expansion, also known as the First Order Reliability Method (FORM), or a second-order Taylor series expansion (paraboloid), also known as the Second Order Reliability Method (SORM). From the computational procedure point of view, this step comes after the design point identification; however, the order of approximation for the probability of failure calculation is discussed first, and it is denoted by either FORM or SORM. The other approximation of interest is how the design point, or the most probable failure point (MPP), is identified. For iteratively finding this point, again the limit state is approximated. The accuracy and efficiency of the approximations make the search process quite practical for analysis intensive approaches such as the finite element methods; therefore, the crux of this research is to develop excellent approximations for MPP identification and also different approximations including the higher-order reliability methods (HORM) for representing the failure surface. This report is divided into several parts to emphasize different segments of the structural reliability analysis and design. Broadly, it consists of mathematical foundations, methods and applications. Chapter I discusses the fundamental definitions of the probability theory, which are mostly available in standard text books. Probability density function descriptions relevant to this work are addressed. In Chapter 2, the concept and utility of function approximation are discussed for a general application in engineering analysis. Various forms of function representations and the latest developments in nonlinear adaptive approximations are presented with comparison studies. Research work accomplished in reliability analysis is presented in Chapter 3. First, the definition of safety index and most probable point of failure are introduced. Efficient ways of computing the safety index with a fewer number of iterations is emphasized. In chapter 4, the probability of failure prediction is presented using first-order, second-order and higher-order methods. System reliability methods are discussed in chapter 5. Chapter 6 presents optimization techniques for the modification and redistribution of structural sizes for improving the structural reliability. The report also contains several appendices on probability parameters.

Comparison of Response Surface and Kriging Models for Multidisciplinary Design Optimization

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.; Korte, John J.; Mauery, Timothy M.; Mistree, Farrokh

1998-01-01

In this paper, we compare and contrast the use of second-order response surface models and kriging models for approximating non-random, deterministic computer analyses. After reviewing the response surface method for constructing polynomial approximations, kriging is presented as an alternative approximation method for the design and analysis of computer experiments. Both methods are applied to the multidisciplinary design of an aerospike nozzle which consists of a computational fluid dynamics model and a finite-element model. Error analysis of the response surface and kriging models is performed along with a graphical comparison of the approximations, and four optimization problems m formulated and solved using both sets of approximation models. The second-order response surface models and kriging models-using a constant underlying global model and a Gaussian correlation function-yield comparable results.

Derek Vigil-Fowler | NREL

Science.gov Websites

simulation methods for materials physics and chemistry, with particular expertise in post-DFT, high accuracy methods such as the GW approximation for electronic structure and random phase approximation (RPA) total the art in computational methods, including efficient methods for including the effects of substrates

Method of forming pointed structures

NASA Technical Reports Server (NTRS)

Pugel, Diane E. (Inventor)

2011-01-01

A method of forming an array of pointed structures comprises depositing a ferrofluid on a substrate, applying a magnetic field to the ferrofluid to generate an array of surface protrusions, and solidifying the surface protrusions to form the array of pointed structures. The pointed structures may have a tip radius ranging from approximately 10 nm to approximately 25 micron. Solidifying the surface protrusions may be carried out at a temperature ranging from approximately 10 degrees C. to approximately 30 degrees C.

Dynamic simulation of concentrated macromolecular solutions with screened long-range hydrodynamic interactions: Algorithm and limitations

PubMed Central

Ando, Tadashi; Chow, Edmond; Skolnick, Jeffrey

2013-01-01

Hydrodynamic interactions exert a critical effect on the dynamics of macromolecules. As the concentration of macromolecules increases, by analogy to the behavior of semidilute polymer solutions or the flow in porous media, one might expect hydrodynamic screening to occur. Hydrodynamic screening would have implications both for the understanding of macromolecular dynamics as well as practical implications for the simulation of concentrated macromolecular solutions, e.g., in cells. Stokesian dynamics (SD) is one of the most accurate methods for simulating the motions of N particles suspended in a viscous fluid at low Reynolds number, in that it considers both far-field and near-field hydrodynamic interactions. This algorithm traditionally involves an O(N3) operation to compute Brownian forces at each time step, although asymptotically faster but more complex SD methods are now available. Motivated by the idea of hydrodynamic screening, the far-field part of the hydrodynamic matrix in SD may be approximated by a diagonal matrix, which is equivalent to assuming that long range hydrodynamic interactions are completely screened. This approximation allows sparse matrix methods to be used, which can reduce the apparent computational scaling to O(N). Previously there were several simulation studies using this approximation for monodisperse suspensions. Here, we employ newly designed preconditioned iterative methods for both the computation of Brownian forces and the solution of linear systems, and consider the validity of this approximation in polydisperse suspensions. We evaluate the accuracy of the diagonal approximation method using an intracellular-like suspension. The diffusivities of particles obtained with this approximation are close to those with the original method. However, this approximation underestimates intermolecular correlated motions, which is a trade-off between accuracy and computing efficiency. The new method makes it possible to perform large-scale and long-time simulation with an approximate accounting of hydrodynamic interactions. PMID:24089734

Configurational entropy: an improvement of the quasiharmonic approximation using configurational temperature.

PubMed

Nguyen, Phuong H; Derreumaux, Philippe

2012-01-14

One challenge in computational biophysics and biology is to develop methodologies able to estimate accurately the configurational entropy of macromolecules. Among many methods, the quasiharmonic approximation (QH) is most widely used as it is simple in both theory and implementation. However, it has been shown that this method becomes inaccurate by overestimating entropy for systems with rugged free energy landscapes. Here, we propose a simple method to improve the QH approximation, i.e., to reduce QH entropy. We approximate the potential energy landscape of the system by an effective harmonic potential, and request that this potential must produce exactly the configurational temperature of the system. Due to this constraint, the force constants associated with the effective harmonic potential are increased, or equivalently, entropy of motion governed by this effective harmonic potential is reduced. We also introduce the effective configurational temperature concept which can be used as an indicator to check the anharmonicity of the free energy landscape. To validate the new method we compare it with the recently developed expansion approximate method by calculating entropy of one simple model system and two peptides with 3 and 16 amino acids either in gas phase or in explicit solvent. We show that the new method appears to be a good choice in practice as it is a compromise between accuracy and computational speed. A modification of the expansion approximate method is also introduced and advantages are discussed in some detail.

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2003-01-01

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

The neural network approximation method for solving multidimensional nonlinear inverse problems of geophysics

NASA Astrophysics Data System (ADS)

Shimelevich, M. I.; Obornev, E. A.; Obornev, I. E.; Rodionov, E. A.

2017-07-01

The iterative approximation neural network method for solving conditionally well-posed nonlinear inverse problems of geophysics is presented. The method is based on the neural network approximation of the inverse operator. The inverse problem is solved in the class of grid (block) models of the medium on a regularized parameterization grid. The construction principle of this grid relies on using the calculated values of the continuity modulus of the inverse operator and its modifications determining the degree of ambiguity of the solutions. The method provides approximate solutions of inverse problems with the maximal degree of detail given the specified degree of ambiguity with the total number of the sought parameters n × 103 of the medium. The a priori and a posteriori estimates of the degree of ambiguity of the approximated solutions are calculated. The work of the method is illustrated by the example of the three-dimensional (3D) inversion of the synthesized 2D areal geoelectrical (audio magnetotelluric sounding, AMTS) data corresponding to the schematic model of a kimberlite pipe.

Clinical evaluation of near-infrared light transillumination in approximal dentin caries detection.

PubMed

Ozkan, Gokhan; Guzel, Kadriye Gorkem Ulu

2017-08-01

The objective of this clinical study was to compare conventional caries detection techniques, pen-type laser fluorescence device, and near-infrared light transillumination method in approximal dentin caries lesions. The study included 157 patients, aged 12-18, without any cavity in the posterior teeth. Two calibrated examiners carried out the assessments of selected approximal caries sites independently. After the assessments, the unopened sites were excluded and a total of 161 approximal sites were included in the study. When both the examiners arrived at a consensus regarding the presence of dentin caries, the detected lesions were opened with a conical diamond burr, the cavity extent was examined and validated (gold standard). Sensitivity, specificity, negative predictive value, positive predictive value, accuracy, and area under the ROC curve (Az) values among the caries detection methods were calculated. Bitewing radiography and near-infrared (NIR) light transillumination methods showed the highest sensitivity (0.83-0.82) and accuracy (0.82-0.80) among the methods. Visual inspection showed the lowest sensitivity (0.54). Laser fluorescence device and visual inspection showed nearly equal performance. Near-infrared light transillumination can be used as an alternative method to approximal dentin caries detection. Visual inspection and laser fluorescence device alone should not be used for approximal dentin caries.

The uniform asymptotic swallowtail approximation - Practical methods for oscillating integrals with four coalescing saddle points

NASA Technical Reports Server (NTRS)

Connor, J. N. L.; Curtis, P. R.; Farrelly, D.

1984-01-01

Methods that can be used in the numerical implementation of the uniform swallowtail approximation are described. An explicit expression for that approximation is presented to the lowest order, showing that there are three problems which must be overcome in practice before the approximation can be applied to any given problem. It is shown that a recently developed quadrature method can be used for the accurate numerical evaluation of the swallowtail canonical integral and its partial derivatives. Isometric plots of these are presented to illustrate some of their properties. The problem of obtaining the arguments of the swallowtail integral from an analytical function of its argument is considered, describing two methods of solving this problem. The asymptotic evaluation of the butterfly canonical integral is addressed.

Hierarchical and successive approximate registration of the non-rigid medical image based on thin-plate splines

NASA Astrophysics Data System (ADS)

Hu, Jinyan; Li, Li; Yang, Yunfeng

2017-06-01

The hierarchical and successive approximate registration method of non-rigid medical image based on the thin-plate splines is proposed in the paper. There are two major novelties in the proposed method. First, the hierarchical registration based on Wavelet transform is used. The approximate image of Wavelet transform is selected as the registered object. Second, the successive approximation registration method is used to accomplish the non-rigid medical images registration, i.e. the local regions of the couple images are registered roughly based on the thin-plate splines, then, the current rough registration result is selected as the object to be registered in the following registration procedure. Experiments show that the proposed method is effective in the registration process of the non-rigid medical images.

Calculation of the Coulomb Fission Cross Sections for Pb-Pb and Bi-Pb Interactions at 158 A GeV

NASA Technical Reports Server (NTRS)

Poyser, William J.; Ahern, Sean C.; Norbury, John W.; Tripathi, R. K.

2002-01-01

The Weizsacker-Williams (WW) method of virtual quanta is used to make approximate cross section calculations for peripheral relativistic heavy-ion collisions. We calculated the Coulomb fission cross sections for projectile ions of Pb-208 and Bi-209 with energies of 158 A GeV interacting with a Pb-208 target. We also calculated the electromagnetic absorption cross section for Pb-208 ion interacting as described. For comparison we use both the full WW method and a standard approximate WW method. The approximate WW method in larger cross sections compared to the more accurate full WW method.

Reliability-based design optimization using a generalized subset simulation method and posterior approximation

NASA Astrophysics Data System (ADS)

Ma, Yuan-Zhuo; Li, Hong-Shuang; Yao, Wei-Xing

2018-05-01

The evaluation of the probabilistic constraints in reliability-based design optimization (RBDO) problems has always been significant and challenging work, which strongly affects the performance of RBDO methods. This article deals with RBDO problems using a recently developed generalized subset simulation (GSS) method and a posterior approximation approach. The posterior approximation approach is used to transform all the probabilistic constraints into ordinary constraints as in deterministic optimization. The assessment of multiple failure probabilities required by the posterior approximation approach is achieved by GSS in a single run at all supporting points, which are selected by a proper experimental design scheme combining Sobol' sequences and Bucher's design. Sequentially, the transformed deterministic design optimization problem can be solved by optimization algorithms, for example, the sequential quadratic programming method. Three optimization problems are used to demonstrate the efficiency and accuracy of the proposed method.

A model and variance reduction method for computing statistical outputs of stochastic elliptic partial differential equations

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

Vidal-Codina, F., E-mail: fvidal@mit.edu; Nguyen, N.C., E-mail: cuongng@mit.edu; Giles, M.B., E-mail: mike.giles@maths.ox.ac.uk

We present a model and variance reduction method for the fast and reliable computation of statistical outputs of stochastic elliptic partial differential equations. Our method consists of three main ingredients: (1) the hybridizable discontinuous Galerkin (HDG) discretization of elliptic partial differential equations (PDEs), which allows us to obtain high-order accurate solutions of the governing PDE; (2) the reduced basis method for a new HDG discretization of the underlying PDE to enable real-time solution of the parameterized PDE in the presence of stochastic parameters; and (3) a multilevel variance reduction method that exploits the statistical correlation among the different reduced basismore » approximations and the high-fidelity HDG discretization to accelerate the convergence of the Monte Carlo simulations. The multilevel variance reduction method provides efficient computation of the statistical outputs by shifting most of the computational burden from the high-fidelity HDG approximation to the reduced basis approximations. Furthermore, we develop a posteriori error estimates for our approximations of the statistical outputs. Based on these error estimates, we propose an algorithm for optimally choosing both the dimensions of the reduced basis approximations and the sizes of Monte Carlo samples to achieve a given error tolerance. We provide numerical examples to demonstrate the performance of the proposed method.« less

The large discretization step method for time-dependent partial differential equations

NASA Technical Reports Server (NTRS)

Haras, Zigo; Taasan, Shlomo

1995-01-01

A new method for the acceleration of linear and nonlinear time dependent calculations is presented. It is based on the Large Discretization Step (LDS) approximation, defined in this work, which employs an extended system of low accuracy schemes to approximate a high accuracy discrete approximation to a time dependent differential operator. Error bounds on such approximations are derived. These approximations are efficiently implemented in the LDS methods for linear and nonlinear hyperbolic equations, presented here. In these algorithms the high and low accuracy schemes are interpreted as the same discretization of a time dependent operator on fine and coarse grids, respectively. Thus, a system of correction terms and corresponding equations are derived and solved on the coarse grid to yield the fine grid accuracy. These terms are initialized by visiting the fine grid once in many coarse grid time steps. The resulting methods are very general, simple to implement and may be used to accelerate many existing time marching schemes.

Stochastic approximation methods-Powerful tools for simulation and optimization: A survey of some recent work on multi-agent systems and cyber-physical systems

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

Yin, George; Wang, Le Yi; Zhang, Hongwei

2014-12-10

Stochastic approximation methods have found extensive and diversified applications. Recent emergence of networked systems and cyber-physical systems has generated renewed interest in advancing stochastic approximation into a general framework to support algorithm development for information processing and decisions in such systems. This paper presents a survey on some recent developments in stochastic approximation methods and their applications. Using connected vehicles in platoon formation and coordination as a platform, we highlight some traditional and new methodologies of stochastic approximation algorithms and explain how they can be used to capture essential features in networked systems. Distinct features of networked systems with randomlymore » switching topologies, dynamically evolving parameters, and unknown delays are presented, and control strategies are provided.« less

Methods for producing silicon carbide fibers

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

Garnier, John E.; Griffith, George W.

Methods of producing silicon carbide fibers. The method comprises reacting a continuous carbon fiber material and a silicon-containing gas in a reaction chamber at a temperature ranging from approximately 1500.degree. C. to approximately 2000.degree. C. A partial pressure of oxygen in the reaction chamber is maintained at less than approximately 1.01.times.10.sup.2 Pascal to produce continuous alpha silicon carbide fibers. Continuous alpha silicon carbide fibers and articles formed from the continuous alpha silicon carbide fibers are also disclosed.

An Extension of the Krieger-Li-Iafrate Approximation to the Optimized-Effective-Potential Method

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

Wilson, B.G.

1999-11-11

The Krieger-Li-Iafrate approximation can be expressed as the zeroth order result of an unstable iterative method for solving the integral equation form of the optimized-effective-potential method. By pre-conditioning the iterate a first order correction can be obtained which recovers the bulk of quantal oscillations missing in the zeroth order approximation. A comparison of calculated total energies are given with Krieger-Li-Iafrate, Local Density Functional, and Hyper-Hartree-Fock results for non-relativistic atoms and ions.

An extension of the fenske-hall LCAO method for approximate calculations of inner-shell binding energies of molecules

NASA Astrophysics Data System (ADS)

Zwanziger, Ch.; Reinhold, J.

1980-02-01

The approximate LCAO MO method of Fenske and Hall has been extended to an all-election method allowing the calculation of inner-shell binding energies of molecules and their chemical shifts. Preliminary results are given.

Kernel K-Means Sampling for Nyström Approximation.

PubMed

He, Li; Zhang, Hong

2018-05-01

A fundamental problem in Nyström-based kernel matrix approximation is the sampling method by which training set is built. In this paper, we suggest to use kernel -means sampling, which is shown in our works to minimize the upper bound of a matrix approximation error. We first propose a unified kernel matrix approximation framework, which is able to describe most existing Nyström approximations under many popular kernels, including Gaussian kernel and polynomial kernel. We then show that, the matrix approximation error upper bound, in terms of the Frobenius norm, is equal to the -means error of data points in kernel space plus a constant. Thus, the -means centers of data in kernel space, or the kernel -means centers, are the optimal representative points with respect to the Frobenius norm error upper bound. Experimental results, with both Gaussian kernel and polynomial kernel, on real-world data sets and image segmentation tasks show the superiority of the proposed method over the state-of-the-art methods.

Intermediate boundary conditions for LOD, ADI and approximate factorization methods

NASA Technical Reports Server (NTRS)

Leveque, R. J.

1985-01-01

A general approach to determining the correct intermediate boundary conditions for dimensional splitting methods is presented. The intermediate solution U is viewed as a second order accurate approximation to a modified equation. Deriving the modified equation and using the relationship between this equation and the original equation allows us to determine the correct boundary conditions for U*. This technique is illustrated by applying it to locally one dimensional (LOD) and alternating direction implicit (ADI) methods for the heat equation in two and three space dimensions. The approximate factorization method is considered in slightly more generality.

A DEIM Induced CUR Factorization

DTIC Science & Technology

2015-09-18

CUR approximate matrix factorization based on the Discrete Empirical Interpolation Method (DEIM). For a given matrix A, such a factorization provides a...CUR approximations based on leverage scores. 1 Introduction This work presents a new CUR matrix factorization based upon the Discrete Empirical...SUPPLEMENTARY NOTES 14. ABSTRACT We derive a CUR approximate matrix factorization based on the Discrete Empirical Interpolation Method (DEIM). For a given

On the origins of approximations for stochastic chemical kinetics.

PubMed

Haseltine, Eric L; Rawlings, James B

2005-10-22

This paper considers the derivation of approximations for stochastic chemical kinetics governed by the discrete master equation. Here, the concepts of (1) partitioning on the basis of fast and slow reactions as opposed to fast and slow species and (2) conditional probability densities are used to derive approximate, partitioned master equations, which are Markovian in nature, from the original master equation. Under different conditions dictated by relaxation time arguments, such approximations give rise to both the equilibrium and hybrid (deterministic or Langevin equations coupled with discrete stochastic simulation) approximations previously reported. In addition, the derivation points out several weaknesses in previous justifications of both the hybrid and equilibrium systems and demonstrates the connection between the original and approximate master equations. Two simple examples illustrate situations in which these two approximate methods are applicable and demonstrate the two methods' efficiencies.

Systems and Methods for Implementing High-Temperature Tolerant Supercapacitors

NASA Technical Reports Server (NTRS)

Bugga, Ratnakumar V. (Inventor); Brandon, Erik J. (Inventor); West, William C. (Inventor)

2016-01-01

Systems and methods in accordance with embodiments of the invention implement high-temperature tolerant supercapacitors. In one embodiment, a high-temperature tolerant super capacitor includes a first electrode that is thermally stable between at least approximately 80C and approximately 300C; a second electrode that is thermally stable between at least approximately 80C and approximately 300C; an ionically conductive separator that is thermally stable between at least approximately 80C and 300C; an electrolyte that is thermally stable between approximately at least 80C and approximately 300C; where the first electrode and second electrode are separated by the separator such that the first electrode and second electrode are not in physical contact; and where each of the first electrode and second electrode is at least partially immersed in the electrolyte solution.

Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability

NASA Astrophysics Data System (ADS)

Erhard, Jannis; Bleiziffer, Patrick; Görling, Andreas

2016-09-01

A power series approximation for the correlation kernel of time-dependent density-functional theory is presented. Using this approximation in the adiabatic-connection fluctuation-dissipation (ACFD) theorem leads to a new family of Kohn-Sham methods. The new methods yield reaction energies and barriers of unprecedented accuracy and enable a treatment of static (strong) correlation with an accuracy of high-level multireference configuration interaction methods but are single-reference methods allowing for a black-box-like handling of static correlation. The new methods exhibit a better scaling of the computational effort with the system size than rivaling wave-function-based electronic structure methods. Moreover, the new methods do not suffer from the problem of singularities in response functions plaguing previous ACFD methods and therefore are applicable to any type of electronic system.

Comparison of approximate solutions to the phonon Boltzmann transport equation with the relaxation time approximation: Spherical harmonics expansions and the discrete ordinates method

NASA Astrophysics Data System (ADS)

Christenson, J. G.; Austin, R. A.; Phillips, R. J.

2018-05-01

The phonon Boltzmann transport equation is used to analyze model problems in one and two spatial dimensions, under transient and steady-state conditions. New, explicit solutions are obtained by using the P1 and P3 approximations, based on expansions in spherical harmonics, and are compared with solutions from the discrete ordinates method. For steady-state energy transfer, it is shown that analytic expressions derived using the P1 and P3 approximations agree quantitatively with the discrete ordinates method, in some cases for large Knudsen numbers, and always for Knudsen numbers less than unity. However, for time-dependent energy transfer, the PN solutions differ qualitatively from converged solutions obtained by the discrete ordinates method. Although they correctly capture the wave-like behavior of energy transfer at short times, the P1 and P3 approximations rely on one or two wave velocities, respectively, yielding abrupt, step-changes in temperature profiles that are absent when the angular dependence of the phonon velocities is captured more completely. It is shown that, with the gray approximation, the P1 approximation is formally equivalent to the so-called "hyperbolic heat equation." Overall, these results support the use of the PN approximation to find solutions to the phonon Boltzmann transport equation for steady-state conditions. Such solutions can be useful in the design and analysis of devices that involve heat transfer at nanometer length scales, where continuum-scale approaches become inaccurate.

Measuring pair-wise molecular interactions in a complex mixture

NASA Astrophysics Data System (ADS)

Chakraborty, Krishnendu; Varma, Manoj M.; Venkatapathi, Murugesan

2016-03-01

Complex biological samples such as serum contain thousands of proteins and other molecules spanning up to 13 orders of magnitude in concentration. Present measurement techniques do not permit the analysis of all pair-wise interactions between the components of such a complex mixture to a given target molecule. In this work we explore the use of nanoparticle tags which encode the identity of the molecule to obtain the statistical distribution of pair-wise interactions using their Localized Surface Plasmon Resonance (LSPR) signals. The nanoparticle tags are chosen such that the binding between two molecules conjugated to the respective nanoparticle tags can be recognized by the coupling of their LSPR signals. This numerical simulation is done by DDA to investigate this approach using a reduced system consisting of three nanoparticles (a gold ellipsoid with aspect ratio 2.5 and short axis 16 nm, and two silver ellipsoids with aspect ratios 3 and 2 and short axes 8 nm and 10 nm respectively) and the set of all possible dimers formed between them. Incident light was circularly polarized and all possible particle and dimer orientations were considered. We observed that minimum peak separation between two spectra is 5 nm while maximum is 184nm.

An investigation into the characteristics and drug release properties of multiple W/O/W emulsion systems containing low concentration of lipophilic polymeric emulsifier.

PubMed

Vasiljevic, Dragana; Parojcic, Jelena; Primorac, Marija; Vuleta, Gordana

2006-02-17

Multiple W/O/W emulsions with high content of inner phase (Phi1=Phi2=0.8) were prepared using relatively low concentrations of lipophilic polymeric primary emulsifier, PEG 30-dipolyhydroxystearate, and diclofenac diethylamine (DDA) as a model drug. The investigated formulations were characterized and their stability over the time was evaluated by dynamic and oscillatory rheological measurements, microscopic analysis and in vitro drug release study. In vitro release profiles of the selected model drug were evaluated in terms of the effective diffusion coefficients and flux of the released drug. The multiple emulsion samples exhibited good stability during the ageing time. Concentration of the lipophilic primary emulsifier markedly affected rheological behaviour as well as the droplet size and in vitro drug release kinetics of the investigated systems. The multiple emulsion systems with highest concentration (2.4%, w/w) of the primary emulsifier had the lowest droplet size and the highest apparent viscosity and highest elastic characteristics. Drug release data indicated predominately diffusional drug release mechanism with sustained and prolonged drug release accomplished with 2.4% (w/w) of lipophilic emulsifier employed.

Uptake of C14-atrazine by prairie grasses in a phytoremediation setting.

PubMed

Khrunyk, Yuliya; Schiewer, Silke; Carstens, Keri L; Hu, Dingfei; Coats, Joel R

2017-02-01

Agrochemicals significantly contribute to environmental pollution. In the USA, atrazine is a widely used pesticide and commonly found in rivers, water systems, and rural wells. Phytoremediation can be a cost-effective means of removing pesticides from soil. The objective of this project was to investigate the ability of prairie grasses to remove atrazine. 14 C-labeled atrazine was added to sterilized sand and water/nutrient cultures, and the analysis was performed after 21 days. Switchgrass and big bluestem were promising species for phytoremediation, taking up about 40% of the applied [ 14 C] in liquid hydroponic cultures, and between 20% and 33% in sand cultures. Yellow Indiangrass showed low resistance to atrazine toxicity and low uptake of [ 14 C] atrazine in liquid hydroponic cultures. Atrazine degradation increased progressively from sand to roots and leaves. Most atrazine taken up by prairie grasses from sand culture was degraded to metabolites, which accounted for 60-80% of [ 14 C] detected in leaves. Deisopropylatrazine (DIA) was the main metabolite detected in sand and roots, whereas in leaves further metabolism took place, forming increased amounts of didealkylatrazine (DDA) and an unidentified metabolite. In conclusion, prairie grasses achieved high atrazine removal and degradation, showing a high potential for phytoremediation.

Comparative Analyses of Data Independent Acquisition Mass Spectrometric Approaches: DIA, WiSIM‐DIA, and Untargeted DIA

PubMed Central

Ho, Jenny T. C.; Smit, August B.; Li, Ka Wan

2018-01-01

Abstract Data‐independent acquisition (DIA) is an emerging technology for quantitative proteomics. Current DIA focusses on the identification and quantitation of fragment ions that are generated from multiple peptides contained in the same selection window of several to tens of m/z. An alternative approach is WiSIM‐DIA, which combines conventional DIA with wide‐SIM (wide selected‐ion monitoring) windows to partition the precursor m/z space to produce high‐quality precursor ion chromatograms. However, WiSIM‐DIA has been underexplored; it remains unclear if it is a viable alternative to DIA. We demonstrate that WiSIM‐DIA quantified more than 24 000 unique peptides over five orders of magnitude in a single 2 h analysis of a neuronal synapse‐enriched fraction, compared to 31 000 in DIA. There is a strong correlation between abundance values of peptides quantified in both the DIA and WiSIM‐DIA datasets. Interestingly, the S/N ratio of these peptides is not correlated. We further show that peptide identification directly from DIA spectra identified >2000 proteins, which included unique peptides not found in spectral libraries generated by DDA. PMID:29134766

Newton's method applied to finite-difference approximations for the steady-state compressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Bailey, Harry E.; Beam, Richard M.

1991-01-01

Finite-difference approximations for steady-state compressible Navier-Stokes equations, whose two spatial dimensions are written in generalized curvilinear coordinates and strong conservation-law form, are presently solved by means of Newton's method in order to obtain a lifting-airfoil flow field under subsonic and transonnic conditions. In addition to ascertaining the computational requirements of an initial guess ensuring convergence and the degree of computational efficiency obtainable via the approximate Newton method's freezing of the Jacobian matrices, attention is given to the need for auxiliary methods assessing the temporal stability of steady-state solutions. It is demonstrated that nonunique solutions of the finite-difference equations are obtainable by Newton's method in conjunction with a continuation method.

An Exact Model-Based Method for Near-Field Sources Localization with Bistatic MIMO System.

PubMed

Singh, Parth Raj; Wang, Yide; Chargé, Pascal

2017-03-30

In this paper, we propose an exact model-based method for near-field sources localization with a bistatic multiple input, multiple output (MIMO) radar system, and compare it with an approximated model-based method. The aim of this paper is to propose an efficient way to use the exact model of the received signals of near-field sources in order to eliminate the systematic error introduced by the use of approximated model in most existing near-field sources localization techniques. The proposed method uses parallel factor (PARAFAC) decomposition to deal with the exact model. Thanks to the exact model, the proposed method has better precision and resolution than the compared approximated model-based method. The simulation results show the performance of the proposed method.

Citation Matching in Sanskrit Corpora Using Local Alignment

NASA Astrophysics Data System (ADS)

Prasad, Abhinandan S.; Rao, Shrisha

Citation matching is the problem of finding which citation occurs in a given textual corpus. Most existing citation matching work is done on scientific literature. The goal of this paper is to present methods for performing citation matching on Sanskrit texts. Exact matching and approximate matching are the two methods for performing citation matching. The exact matching method checks for exact occurrence of the citation with respect to the textual corpus. Approximate matching is a fuzzy string-matching method which computes a similarity score between an individual line of the textual corpus and the citation. The Smith-Waterman-Gotoh algorithm for local alignment, which is generally used in bioinformatics, is used here for calculating the similarity score. This similarity score is a measure of the closeness between the text and the citation. The exact- and approximate-matching methods are evaluated and compared. The methods presented can be easily applied to corpora in other Indic languages like Kannada, Tamil, etc. The approximate-matching method can in particular be used in the compilation of critical editions and plagiarism detection in a literary work.

An Approximate Dissipation Function for Large Strain Rubber Thermo-Mechanical Analyses

NASA Technical Reports Server (NTRS)

Johnson, Arthur R.; Chen, Tzi-Kang

2003-01-01

Mechanically induced viscoelastic dissipation is difficult to compute. When the constitutive model is defined by history integrals, the formula for dissipation is a double convolution integral. Since double convolution integrals are difficult to approximate, coupled thermo-mechanical analyses of highly viscous rubber-like materials cannot be made with most commercial finite element software. In this study, we present a method to approximate the dissipation for history integral constitutive models that represent Maxwell-like materials without approximating the double convolution integral. The method requires that the total stress can be separated into elastic and viscous components, and that the relaxation form of the constitutive law is defined with a Prony series. Numerical data is provided to demonstrate the limitations of this approximate method for determining dissipation. Rubber cylinders with imbedded steel disks and with an imbedded steel ball are dynamically loaded, and the nonuniform heating within the cylinders is computed.

Solution of linear systems by a singular perturbation technique

NASA Technical Reports Server (NTRS)

Ardema, M. D.

1976-01-01

An approximate solution is obtained for a singularly perturbed system of initial valued, time invariant, linear differential equations with multiple boundary layers. Conditions are stated under which the approximate solution converges uniformly to the exact solution as the perturbation parameter tends to zero. The solution is obtained by the method of matched asymptotic expansions. Use of the results for obtaining approximate solutions of general linear systems is discussed. An example is considered to illustrate the method and it is shown that the formulas derived give a readily computed uniform approximation.

A well-posed optimal spectral element approximation for the Stokes problem

NASA Technical Reports Server (NTRS)

Maday, Y.; Patera, A. T.; Ronquist, E. M.

1987-01-01

A method is proposed for the spectral element simulation of incompressible flow. This method constitutes in a well-posed optimal approximation of the steady Stokes problem with no spurious modes in the pressure. The resulting method is analyzed, and numerical results are presented for a model problem.

Hamilton's Principle and Approximate Solutions to Problems in Classical Mechanics

ERIC Educational Resources Information Center

Schlitt, D. W.

1977-01-01

Shows how to use the Ritz method for obtaining approximate solutions to problems expressed in variational form directly from the variational equation. Application of this method to classical mechanics is given. (MLH)

Structural optimization with approximate sensitivities

NASA Technical Reports Server (NTRS)

Patnaik, S. N.; Hopkins, D. A.; Coroneos, R.

1994-01-01

Computational efficiency in structural optimization can be enhanced if the intensive computations associated with the calculation of the sensitivities, that is, gradients of the behavior constraints, are reduced. Approximation to gradients of the behavior constraints that can be generated with small amount of numerical calculations is proposed. Structural optimization with these approximate sensitivities produced correct optimum solution. Approximate gradients performed well for different nonlinear programming methods, such as the sequence of unconstrained minimization technique, method of feasible directions, sequence of quadratic programming, and sequence of linear programming. Structural optimization with approximate gradients can reduce by one third the CPU time that would otherwise be required to solve the problem with explicit closed-form gradients. The proposed gradient approximation shows potential to reduce intensive computation that has been associated with traditional structural optimization.

Big geo data surface approximation using radial basis functions: A comparative study

NASA Astrophysics Data System (ADS)

Majdisova, Zuzana; Skala, Vaclav

2017-12-01

Approximation of scattered data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for big scattered datasets in n-dimensional space. It is a non-separable approximation, as it is based on the distance between two points. This method leads to the solution of an overdetermined linear system of equations. In this paper the RBF approximation methods are briefly described, a new approach to the RBF approximation of big datasets is presented, and a comparison for different Compactly Supported RBFs (CS-RBFs) is made with respect to the accuracy of the computation. The proposed approach uses symmetry of a matrix, partitioning the matrix into blocks and data structures for storage of the sparse matrix. The experiments are performed for synthetic and real datasets.

Comparison of Response Surface and Kriging Models in the Multidisciplinary Design of an Aerospike Nozzle

NASA Technical Reports Server (NTRS)

Simpson, Timothy W.

1998-01-01

The use of response surface models and kriging models are compared for approximating non-random, deterministic computer analyses. After discussing the traditional response surface approach for constructing polynomial models for approximation, kriging is presented as an alternative statistical-based approximation method for the design and analysis of computer experiments. Both approximation methods are applied to the multidisciplinary design and analysis of an aerospike nozzle which consists of a computational fluid dynamics model and a finite element analysis model. Error analysis of the response surface and kriging models is performed along with a graphical comparison of the approximations. Four optimization problems are formulated and solved using both approximation models. While neither approximation technique consistently outperforms the other in this example, the kriging models using only a constant for the underlying global model and a Gaussian correlation function perform as well as the second order polynomial response surface models.

Constraining Cometary Crystal Shapes from IR Spectral Features

NASA Technical Reports Server (NTRS)

Wooden, Diane H.; Lindsay, Sean; Harker, David E.; Kelley, Michael S. P.; Woodward, Charles E.; Murphy, James Richard

2013-01-01

A major challenge in deriving the silicate mineralogy of comets is ascertaining how the anisotropic nature of forsterite crystals affects the spectral features' wavelength, relative intensity, and asymmetry. Forsterite features are identified in cometary comae near 10, 11.05-11.2, 16, 19, 23.5, 27.5 and 33 microns [1-10], so accurate models for forsterite's absorption efficiency (Qabs) are a primary requirement to compute IR spectral energy distributions (SEDs, lambdaF lambda vs. lambda) and constrain the silicate mineralogy of comets. Forsterite is an anisotropic crystal, with three crystallographic axes with distinct indices of refraction for the a-, b-, and c-axis. The shape of a forsterite crystal significantly affects its spectral features [13-16]. We need models that account for crystal shape. The IR absorption efficiencies of forsterite are computed using the discrete dipole approximation (DDA) code DDSCAT [11,12]. Starting from a fiducial crystal shape of a cube, we systematically elongate/reduce one of the crystallographic axes. Also, we elongate/reduce one axis while the lengths of the other two axes are slightly asymmetric (0.8:1.2). The most significant grain shape characteristic that affects the crystalline spectral features is the relative lengths of the crystallographic axes. The second significant grain shape characteristic is breaking the symmetry of all three axes [17]. Synthetic spectral energy distributions using seven crystal shape classes [17] are fit to the observed SED of comet C/1995 O1 (Hale-Bopp). The Hale-Bopp crystalline residual better matches equant, b-platelets, c-platelets, and b-columns spectral shape classes, while a-platelets, a-columns and c-columns worsen the spectral fits. Forsterite condensation and partial evaporation experiments demonstrate that environmental temperature and grain shape are connected [18-20]. Thus, grain shape is a potential probe for protoplanetary disk temperatures where the cometary crystalline forsterite formed. The forsterite crystal shapes (equant, b-platelets, c-platelets, b-columns - excluding a- and c-columns) derived from our modeling [17] of comet Hale- Bopp, compared to laboratory synthesis experiments [18], suggests that these crystals are high temperature condensates. By observing and modeling the crystalline features in comet ISON, we may constrain forsterite crystal shape(s) and link to their formation temperature(s) and environment(s).

Gold Nanocages: Synthesis, Properties, and Applications

PubMed Central

SKRABALAK, SARA E.; CHEN, JINGYI; SUN, YUGANG; LU, XIANMAO; AU, LESLIE; COBLEY, LAIRE M.; XIA, YOUNAN

2008-01-01

Conspectus Noble-metal nanocages represent a novel class of nanostructures with hollow interiors and porous walls. They are prepared using the remarkably simple galvanic replacement reaction between solutions containing metal precursor salts and Ag nanostructures prepared by polyol reduction. The electrochemical potential difference between the two species drives the reaction, with the reduced metal depositing on the surface of the Ag nanostructure. In our most studied example involving HAuCl4 as the metal precursor, the resultant Au epitaxially deposits on the surface of the Ag nanocubes, adopting their cubic structure. Concurrent with this deposition, the interior Ag is oxidized and removed, together with alloying and dealloying, to produce hollow and eventually porous structures that we commonly refer to as Au nanocages. This approach has proven versatile, with a wide range of morphologies – including nanorings, prism-shaped nanoboxes, nanotubes, and multiple-walled nanoshells or nanotubes – being produced by changing the shape of the initial Ag template. Besides Au-based structures, Pt- and Pd-containing hollow nanostructures have been prepared by switching the metal salt precursors to Na2PtCl4 or Na2PdCl4, respectively. Additionally, we have found it easy to tune both the composition and localized surface plasmon resonance (LSPR) of the metal nanocages by simply changing the amount of metal precursor added to the suspension of Ag nanocubes. In this way, we are developing these structures for biomedical and catalytic applications. As the Au nanocages are predicted by discrete dipole approximations (DDA) to have large absorption cross-sections and their LSPR can be tuned into the near-infrared where the attenuation of light by blood and soft tissue is greatly reduced, they are attractive for biomedical applications in which the selective absorption of light at great depths is desirable. For example, we have explored their use as contrast enhancement agents for both optical coherence tomography (OCT) and photoacoustic tomography (PAT), with improvements being observed in each case. As the Au nanocages have large absorption cross-sections, they are also effective photothermal transducers, which when targeted to cancer cells could provide a therapeutic effect by selectively killing them by hyperthermia. Our in vitro work illustrates the feasibility of this technique as a less invasive form of cancer treatment. PMID:18570442

Approximated maximum likelihood estimation in multifractal random walks

NASA Astrophysics Data System (ADS)

Løvsletten, O.; Rypdal, M.

2012-04-01

We present an approximated maximum likelihood method for the multifractal random walk processes of [E. Bacry , Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.64.026103 64, 026103 (2001)]. The likelihood is computed using a Laplace approximation and a truncation in the dependency structure for the latent volatility. The procedure is implemented as a package in the r computer language. Its performance is tested on synthetic data and compared to an inference approach based on the generalized method of moments. The method is applied to estimate parameters for various financial stock indices.

Subtraction method in the Second Random Phase Approximation

NASA Astrophysics Data System (ADS)

Gambacurta, Danilo

2018-02-01

We discuss the subtraction method applied to the Second Random Phase Approximation (SRPA). This method has been proposed to overcome double counting and stability issues appearing in beyond mean-field calculations. We show that the subtraction procedure leads to a considerable reduction of the SRPA downwards shift with respect to the random phase approximation (RPA) spectra and to results that are weakly cutoff dependent. Applications to the isoscalar monopole and quadrupole response in 16O and to the low-lying dipole response in 48Ca are shown and discussed.

Identification of stochastic interactions in nonlinear models of structural mechanics

NASA Astrophysics Data System (ADS)

Kala, Zdeněk

2017-07-01

In the paper, the polynomial approximation is presented by which the Sobol sensitivity analysis can be evaluated with all sensitivity indices. The nonlinear FEM model is approximated. The input area is mapped using simulations runs of Latin Hypercube Sampling method. The domain of the approximation polynomial is chosen so that it were possible to apply large number of simulation runs of Latin Hypercube Sampling method. The method presented also makes possible to evaluate higher-order sensitivity indices, which could not be identified in case of nonlinear FEM.

Methods of using adsorption media for separating or removing constituents

DOEpatents

Tranter, Troy J [Idaho Falls, ID; Herbst, R Scott [Idaho Falls, ID; Mann, Nicholas R [Blackfoot, ID; Todd, Terry A [Aberdeen, ID

2011-10-25

Methods of using an adsorption medium to remove at least one constituent from a feed stream. The method comprises contacting an adsorption medium with a feed stream comprising at least one constituent and removing the at least one constituent from the feed stream. The adsorption medium comprises a polyacrylonitrile (PAN) matrix and at least one metal hydroxide homogenously dispersed therein. The adsorption medium may comprise from approximately 15 wt % to approximately 90 wt % of the PAN and from approximately 10 wt % to approximately 85 wt % of the at least one metal hydroxide. The at least one metal hydroxide may be selected from the group consisting of ferric hydroxide, zirconium hydroxide, lanthanum hydroxide, cerium hydroxide, titanium hydroxide, copper hydroxide, antimony hydroxide, and molybdenum hydroxide.

Improved Linear Algebra Methods for Redshift Computation from Limited Spectrum Data - II

NASA Technical Reports Server (NTRS)

Foster, Leslie; Waagen, Alex; Aijaz, Nabella; Hurley, Michael; Luis, Apolo; Rinsky, Joel; Satyavolu, Chandrika; Gazis, Paul; Srivastava, Ashok; Way, Michael

2008-01-01

Given photometric broadband measurements of a galaxy, Gaussian processes may be used with a training set to solve the regression problem of approximating the redshift of this galaxy. However, in practice solving the traditional Gaussian processes equation is too slow and requires too much memory. We employed several methods to avoid this difficulty using algebraic manipulation and low-rank approximation, and were able to quickly approximate the redshifts in our testing data within 17 percent of the known true values using limited computational resources. The accuracy of one method, the V Formulation, is comparable to the accuracy of the best methods currently used for this problem.

An efficient computational method for the approximate solution of nonlinear Lane-Emden type equations arising in astrophysics

NASA Astrophysics Data System (ADS)

Singh, Harendra

2018-04-01

The key purpose of this article is to introduce an efficient computational method for the approximate solution of the homogeneous as well as non-homogeneous nonlinear Lane-Emden type equations. Using proposed computational method given nonlinear equation is converted into a set of nonlinear algebraic equations whose solution gives the approximate solution to the Lane-Emden type equation. Various nonlinear cases of Lane-Emden type equations like standard Lane-Emden equation, the isothermal gas spheres equation and white-dwarf equation are discussed. Results are compared with some well-known numerical methods and it is observed that our results are more accurate.

Rectal temperature-based death time estimation in infants.

PubMed

Igari, Yui; Hosokai, Yoshiyuki; Funayama, Masato

2016-03-01

In determining the time of death in infants based on rectal temperature, the same methods used in adults are generally used. However, whether the methods for adults are suitable for infants is unclear. In this study, we examined the following 3 methods in 20 infant death cases: computer simulation of rectal temperature based on the infinite cylinder model (Ohno's method), computer-based double exponential approximation based on Marshall and Hoare's double exponential model with Henssge's parameter determination (Henssge's method), and computer-based collinear approximation based on extrapolation of the rectal temperature curve (collinear approximation). The interval between the last time the infant was seen alive and the time that he/she was found dead was defined as the death time interval and compared with the estimated time of death. In Ohno's method, 7 cases were within the death time interval, and the average deviation in the other 12 cases was approximately 80 min. The results of both Henssge's method and collinear approximation were apparently inferior to the results of Ohno's method. The corrective factor was set within the range of 0.7-1.3 in Henssge's method, and a modified program was newly developed to make it possible to change the corrective factors. Modification A, in which the upper limit of the corrective factor range was set as the maximum value in each body weight, produced the best results: 8 cases were within the death time interval, and the average deviation in the other 12 cases was approximately 80min. There was a possibility that the influence of thermal isolation on the actual infants was stronger than that previously shown by Henssge. We conclude that Ohno's method and Modification A are useful for death time estimation in infants. However, it is important to accept the estimated time of death with certain latitude considering other circumstances. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Exact Solution of Gas Dynamics Equations Through Reduced Differential Transform and Sumudu Transform Linked with Pades Approximants

NASA Astrophysics Data System (ADS)

Rao, T. R. Ramesh

2018-04-01

In this paper, we study the analytical method based on reduced differential transform method coupled with sumudu transform through Pades approximants. The proposed method may be considered as alternative approach for finding exact solution of Gas dynamics equation in an effective manner. This method does not require any discretization, linearization and perturbation.

Lognormal Approximations of Fault Tree Uncertainty Distributions.

PubMed

El-Shanawany, Ashraf Ben; Ardron, Keith H; Walker, Simon P

2018-01-26

Fault trees are used in reliability modeling to create logical models of fault combinations that can lead to undesirable events. The output of a fault tree analysis (the top event probability) is expressed in terms of the failure probabilities of basic events that are input to the model. Typically, the basic event probabilities are not known exactly, but are modeled as probability distributions: therefore, the top event probability is also represented as an uncertainty distribution. Monte Carlo methods are generally used for evaluating the uncertainty distribution, but such calculations are computationally intensive and do not readily reveal the dominant contributors to the uncertainty. In this article, a closed-form approximation for the fault tree top event uncertainty distribution is developed, which is applicable when the uncertainties in the basic events of the model are lognormally distributed. The results of the approximate method are compared with results from two sampling-based methods: namely, the Monte Carlo method and the Wilks method based on order statistics. It is shown that the closed-form expression can provide a reasonable approximation to results obtained by Monte Carlo sampling, without incurring the computational expense. The Wilks method is found to be a useful means of providing an upper bound for the percentiles of the uncertainty distribution while being computationally inexpensive compared with full Monte Carlo sampling. The lognormal approximation method and Wilks's method appear attractive, practical alternatives for the evaluation of uncertainty in the output of fault trees and similar multilinear models. © 2018 Society for Risk Analysis.

Momentum-space cluster dual-fermion method

NASA Astrophysics Data System (ADS)

Iskakov, Sergei; Terletska, Hanna; Gull, Emanuel

2018-03-01

Recent years have seen the development of two types of nonlocal extensions to the single-site dynamical mean field theory. On one hand, cluster approximations, such as the dynamical cluster approximation, recover short-range momentum-dependent correlations nonperturbatively. On the other hand, diagrammatic extensions, such as the dual-fermion theory, recover long-ranged corrections perturbatively. The correct treatment of both strong short-ranged and weak long-ranged correlations within the same framework is therefore expected to lead to a quick convergence of results, and offers the potential of obtaining smooth self-energies in nonperturbative regimes of phase space. In this paper, we present an exact cluster dual-fermion method based on an expansion around the dynamical cluster approximation. Unlike previous formulations, our method does not employ a coarse-graining approximation to the interaction, which we show to be the leading source of error at high temperature, and converges to the exact result independently of the size of the underlying cluster. We illustrate the power of the method with results for the second-order cluster dual-fermion approximation to the single-particle self-energies and double occupancies.

Combined adaptive multiple subtraction based on optimized event tracing and extended wiener filtering

NASA Astrophysics Data System (ADS)

Tan, Jun; Song, Peng; Li, Jinshan; Wang, Lei; Zhong, Mengxuan; Zhang, Xiaobo

2017-06-01

The surface-related multiple elimination (SRME) method is based on feedback formulation and has become one of the most preferred multiple suppression methods used. However, some differences are apparent between the predicted multiples and those in the source seismic records, which may result in conventional adaptive multiple subtraction methods being barely able to effectively suppress multiples in actual production. This paper introduces a combined adaptive multiple attenuation method based on the optimized event tracing technique and extended Wiener filtering. The method firstly uses multiple records predicted by SRME to generate a multiple velocity spectrum, then separates the original record to an approximate primary record and an approximate multiple record by applying the optimized event tracing method and short-time window FK filtering method. After applying the extended Wiener filtering method, residual multiples in the approximate primary record can then be eliminated and the damaged primary can be restored from the approximate multiple record. This method combines the advantages of multiple elimination based on the optimized event tracing method and the extended Wiener filtering technique. It is an ideal method for suppressing typical hyperbolic and other types of multiples, with the advantage of minimizing damage of the primary. Synthetic and field data tests show that this method produces better multiple elimination results than the traditional multi-channel Wiener filter method and is more suitable for multiple elimination in complicated geological areas.

An approximate method for calculating three-dimensional inviscid hypersonic flow fields

NASA Technical Reports Server (NTRS)

Riley, Christopher J.; Dejarnette, Fred R.

1990-01-01

An approximate solution technique was developed for 3-D inviscid, hypersonic flows. The method employs Maslen's explicit pressure equation in addition to the assumption of approximate stream surfaces in the shock layer. This approximation represents a simplification to Maslen's asymmetric method. The present method presents a tractable procedure for computing the inviscid flow over 3-D surfaces at angle of attack. The solution procedure involves iteratively changing the shock shape in the subsonic-transonic region until the correct body shape is obtained. Beyond this region, the shock surface is determined using a marching procedure. Results are presented for a spherically blunted cone, paraboloid, and elliptic cone at angle of attack. The calculated surface pressures are compared with experimental data and finite difference solutions of the Euler equations. Shock shapes and profiles of pressure are also examined. Comparisons indicate the method adequately predicts shock layer properties on blunt bodies in hypersonic flow. The speed of the calculations makes the procedure attractive for engineering design applications.

3DHZETRN: Inhomogeneous Geometry Issues

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.

2017-01-01

Historical methods for assessing radiation exposure inside complicated geometries for space applications were limited by computational constraints and lack of knowledge associated with nuclear processes occurring over a broad range of particles and energies. Various methods were developed and utilized to simplify geometric representations and enable coupling with simplified but efficient particle transport codes. Recent transport code development efforts, leading to 3DHZETRN, now enable such approximate methods to be carefully assessed to determine if past exposure analyses and validation efforts based on those approximate methods need to be revisited. In this work, historical methods of representing inhomogeneous spacecraft geometry for radiation protection analysis are first reviewed. Two inhomogeneous geometry cases, previously studied with 3DHZETRN and Monte Carlo codes, are considered with various levels of geometric approximation. Fluence, dose, and dose equivalent values are computed in all cases and compared. It is found that although these historical geometry approximations can induce large errors in neutron fluences up to 100 MeV, errors on dose and dose equivalent are modest (<10%) for the cases studied here.

Approximate likelihood calculation on a phylogeny for Bayesian estimation of divergence times.

PubMed

dos Reis, Mario; Yang, Ziheng

2011-07-01

The molecular clock provides a powerful way to estimate species divergence times. If information on some species divergence times is available from the fossil or geological record, it can be used to calibrate a phylogeny and estimate divergence times for all nodes in the tree. The Bayesian method provides a natural framework to incorporate different sources of information concerning divergence times, such as information in the fossil and molecular data. Current models of sequence evolution are intractable in a Bayesian setting, and Markov chain Monte Carlo (MCMC) is used to generate the posterior distribution of divergence times and evolutionary rates. This method is computationally expensive, as it involves the repeated calculation of the likelihood function. Here, we explore the use of Taylor expansion to approximate the likelihood during MCMC iteration. The approximation is much faster than conventional likelihood calculation. However, the approximation is expected to be poor when the proposed parameters are far from the likelihood peak. We explore the use of parameter transforms (square root, logarithm, and arcsine) to improve the approximation to the likelihood curve. We found that the new methods, particularly the arcsine-based transform, provided very good approximations under relaxed clock models and also under the global clock model when the global clock is not seriously violated. The approximation is poorer for analysis under the global clock when the global clock is seriously wrong and should thus not be used. The results suggest that the approximate method may be useful for Bayesian dating analysis using large data sets.

Robust Optimization Design for Turbine Blade-Tip Radial Running Clearance using Hierarchically Response Surface Method

NASA Astrophysics Data System (ADS)

Zhiying, Chen; Ping, Zhou

2017-11-01

Considering the robust optimization computational precision and efficiency for complex mechanical assembly relationship like turbine blade-tip radial running clearance, a hierarchically response surface robust optimization algorithm is proposed. The distribute collaborative response surface method is used to generate assembly system level approximation model of overall parameters and blade-tip clearance, and then a set samples of design parameters and objective response mean and/or standard deviation is generated by using system approximation model and design of experiment method. Finally, a new response surface approximation model is constructed by using those samples, and this approximation model is used for robust optimization process. The analyses results demonstrate the proposed method can dramatic reduce the computational cost and ensure the computational precision. The presented research offers an effective way for the robust optimization design of turbine blade-tip radial running clearance.

Regularization of the double period method for experimental data processing

NASA Astrophysics Data System (ADS)

Belov, A. A.; Kalitkin, N. N.

2017-11-01

In physical and technical applications, an important task is to process experimental curves measured with large errors. Such problems are solved by applying regularization methods, in which success depends on the mathematician's intuition. We propose an approximation based on the double period method developed for smooth nonperiodic functions. Tikhonov's stabilizer with a squared second derivative is used for regularization. As a result, the spurious oscillations are suppressed and the shape of an experimental curve is accurately represented. This approach offers a universal strategy for solving a broad class of problems. The method is illustrated by approximating cross sections of nuclear reactions important for controlled thermonuclear fusion. Tables recommended as reference data are obtained. These results are used to calculate the reaction rates, which are approximated in a way convenient for gasdynamic codes. These approximations are superior to previously known formulas in the covered temperature range and accuracy.

Numerical Approximation of Elasticity Tensor Associated With Green-Naghdi Rate.

PubMed

Liu, Haofei; Sun, Wei

2017-08-01

Objective stress rates are often used in commercial finite element (FE) programs. However, deriving a consistent tangent modulus tensor (also known as elasticity tensor or material Jacobian) associated with the objective stress rates is challenging when complex material models are utilized. In this paper, an approximation method for the tangent modulus tensor associated with the Green-Naghdi rate of the Kirchhoff stress is employed to simplify the evaluation process. The effectiveness of the approach is demonstrated through the implementation of two user-defined fiber-reinforced hyperelastic material models. Comparisons between the approximation method and the closed-form analytical method demonstrate that the former can simplify the material Jacobian evaluation with satisfactory accuracy while retaining its computational efficiency. Moreover, since the approximation method is independent of material models, it can facilitate the implementation of complex material models in FE analysis using shell/membrane elements in abaqus.

ACCESS 3. Approximation concepts code for efficient structural synthesis: User's guide

NASA Technical Reports Server (NTRS)

Fleury, C.; Schmit, L. A., Jr.

1980-01-01

A user's guide is presented for ACCESS-3, a research oriented program which combines dual methods and a collection of approximation concepts to achieve excellent efficiency in structural synthesis. The finite element method is used for structural analysis and dual algorithms of mathematical programming are applied in the design optimization procedure. This program retains all of the ACCESS-2 capabilities and the data preparation formats are fully compatible. Four distinct optimizer options were added: interior point penalty function method (NEWSUMT); second order primal projection method (PRIMAL2); second order Newton-type dual method (DUAL2); and first order gradient projection-type dual method (DUAL1). A pure discrete and mixed continuous-discrete design variable capability, and zero order approximation of the stress constraints are also included.

Spectral methods for time dependent problems

NASA Technical Reports Server (NTRS)

Tadmor, Eitan

1990-01-01

Spectral approximations are reviewed for time dependent problems. Some basic ingredients from the spectral Fourier and Chebyshev approximations theory are discussed. A brief survey was made of hyperbolic and parabolic time dependent problems which are dealt with by both the energy method and the related Fourier analysis. The ideas presented above are combined in the study of accuracy stability and convergence of the spectral Fourier approximation to time dependent problems.

Course 4: Density Functional Theory, Methods, Techniques, and Applications

NASA Astrophysics Data System (ADS)

Chrétien, S.; Salahub, D. R.

Contents 1 Introduction 2 Density functional theory 2.1 Hohenberg and Kohn theorems 2.2 Levy's constrained search 2.3 Kohn-Sham method 3 Density matrices and pair correlation functions 4 Adiabatic connection or coupling strength integration 5 Comparing and constrasting KS-DFT and HF-CI 6 Preparing new functionals 7 Approximate exchange and correlation functionals 7.1 The Local Spin Density Approximation (LSDA) 7.2 Gradient Expansion Approximation (GEA) 7.3 Generalized Gradient Approximation (GGA) 7.4 meta-Generalized Gradient Approximation (meta-GGA) 7.5 Hybrid functionals 7.6 The Optimized Effective Potential method (OEP) 7.7 Comparison between various approximate functionals 8 LAP correlation functional 9 Solving the Kohn-Sham equations 9.1 The Kohn-Sham orbitals 9.2 Coulomb potential 9.3 Exchange-correlation potential 9.4 Core potential 9.5 Other choices and sources of error 9.6 Functionality 10 Applications 10.1 Ab initio molecular dynamics for an alanine dipeptide model 10.2 Transition metal clusters: The ecstasy, and the agony... 10.3 The conversion of acetylene to benzene on Fe clusters 11 Conclusions

Capillary pressure-saturation relationships for porous granular materials: Pore morphology method vs. pore unit assembly method

NASA Astrophysics Data System (ADS)

Sweijen, Thomas; Aslannejad, Hamed; Hassanizadeh, S. Majid

2017-09-01

In studies of two-phase flow in complex porous media it is often desirable to have an estimation of the capillary pressure-saturation curve prior to measurements. Therefore, we compare in this research the capability of three pore-scale approaches in reproducing experimentally measured capillary pressure-saturation curves. To do so, we have generated 12 packings of spheres that are representative of four different glass-bead packings and eight different sand packings, for which we have found experimental data on the capillary pressure-saturation curve in the literature. In generating the packings, we matched the particle size distributions and porosity values of the granular materials. We have used three different pore-scale approaches for generating the capillary pressure-saturation curves of each packing: i) the Pore Unit Assembly (PUA) method in combination with the Mayer and Stowe-Princen (MS-P) approximation for estimating the entry pressures of pore throats, ii) the PUA method in combination with the hemisphere approximation, and iii) the Pore Morphology Method (PMM) in combination with the hemisphere approximation. The three approaches were also used to produce capillary pressure-saturation curves for the coating layer of paper, used in inkjet printing. Curves for such layers are extremely difficult to determine experimentally, due to their very small thickness and the presence of extremely small pores (less than one micrometer in size). Results indicate that the PMM and PUA-hemisphere method give similar capillary pressure-saturation curves, because both methods rely on a hemisphere to represent the air-water interface. The ability of the hemisphere approximation and the MS-P approximation to reproduce correct capillary pressure seems to depend on the type of particle size distribution, with the hemisphere approximation working well for narrowly distributed granular materials.

Quasi-three-dimensional particle imaging with digital holography.

PubMed

Kemppinen, Osku; Heinson, Yuli; Berg, Matthew

2017-05-01

In this work, approximate three-dimensional structures of microparticles are generated with digital holography using an automated focus method. This is done by stacking a collection of silhouette-like images of a particle reconstructed from a single in-line hologram. The method enables estimation of the particle size in the longitudinal and transverse dimensions. Using the discrete dipole approximation, the method is tested computationally by simulating holograms for a variety of particles and attempting to reconstruct the known three-dimensional structure. It is found that poor longitudinal resolution strongly perturbs the reconstructed structure, yet the method does provide an approximate sense for the structure's longitudinal dimension. The method is then applied to laboratory measurements of holograms of single microparticles and their scattering patterns.

A new method of imposing boundary conditions for hyperbolic equations

NASA Technical Reports Server (NTRS)

Funaro, D.; ative.

1987-01-01

A new method to impose boundary conditions for pseudospectral approximations to hyperbolic equations is suggested. This method involves the collocation of the equation at the boundary nodes as well as satisfying boundary conditions. Stability and convergence results are proven for the Chebyshev approximation of linear scalar hyperbolic equations. The eigenvalues of this method applied to parabolic equations are shown to be real and negative.

Heats of Segregation of BCC Binaries from Ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2003-01-01

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Influence of scattering processes on electron quantum states in nanowires

PubMed Central

Galenchik, Vadim; Borzdov, Andrei; Borzdov, Vladimir; Komarov, Fadei

2007-01-01

In the framework of quantum perturbation theory the self-consistent method of calculation of electron scattering rates in nanowires with the one-dimensional electron gas in the quantum limit is worked out. The developed method allows both the collisional broadening and the quantum correlations between scattering events to be taken into account. It is an alternativeper seto the Fock approximation for the self-energy approach based on Green’s function formalism. However this approach is free of mathematical difficulties typical to the Fock approximation. Moreover, the developed method is simpler than the Fock approximation from the computational point of view. Using the approximation of stable one-particle quantum states it is proved that the electron scattering processes determine the dependence of electron energy versus its wave vector.

Highly Accurate Analytical Approximate Solution to a Nonlinear Pseudo-Oscillator

NASA Astrophysics Data System (ADS)

Wu, Baisheng; Liu, Weijia; Lim, C. W.

2017-07-01

A second-order Newton method is presented to construct analytical approximate solutions to a nonlinear pseudo-oscillator in which the restoring force is inversely proportional to the dependent variable. The nonlinear equation is first expressed in a specific form, and it is then solved in two steps, a predictor and a corrector step. In each step, the harmonic balance method is used in an appropriate manner to obtain a set of linear algebraic equations. With only one simple second-order Newton iteration step, a short, explicit, and highly accurate analytical approximate solution can be derived. The approximate solutions are valid for all amplitudes of the pseudo-oscillator. Furthermore, the method incorporates second-order Taylor expansion in a natural way, and it is of significant faster convergence rate.

A Jacobi collocation approximation for nonlinear coupled viscous Burgers' equation

NASA Astrophysics Data System (ADS)

Doha, Eid H.; Bhrawy, Ali H.; Abdelkawy, Mohamed A.; Hafez, Ramy M.

2014-02-01

This article presents a numerical approximation of the initial-boundary nonlinear coupled viscous Burgers' equation based on spectral methods. A Jacobi-Gauss-Lobatto collocation (J-GL-C) scheme in combination with the implicit Runge-Kutta-Nyström (IRKN) scheme are employed to obtain highly accurate approximations to the mentioned problem. This J-GL-C method, based on Jacobi polynomials and Gauss-Lobatto quadrature integration, reduces solving the nonlinear coupled viscous Burgers' equation to a system of nonlinear ordinary differential equation which is far easier to solve. The given examples show, by selecting relatively few J-GL-C points, the accuracy of the approximations and the utility of the approach over other analytical or numerical methods. The illustrative examples demonstrate the accuracy, efficiency, and versatility of the proposed algorithm.

Forward multiple scattering corrections as function of detector field of view

NASA Astrophysics Data System (ADS)

Zardecki, A.; Deepak, A.

1983-06-01

The theoretical formulations are given for an approximate method based on the solution of the radiative transfer equation in the small angle approximation. The method is approximate in the sense that an approximation is made in addition to the small angle approximation. Numerical results were obtained for multiple scattering effects as functions of the detector field of view, as well as the size of the detector's aperture for three different values of the optical depth tau (=1.0, 4.0 and 10.0). Three cases of aperture size were considered--namely, equal to or smaller or larger than the laser beam diameter. The contrast between the on-axis intensity and the received power for the last three cases is clearly evident.

Analytical approximation schemes for solving exact renormalization group equations in the local potential approximation

NASA Astrophysics Data System (ADS)

Bervillier, C.; Boisseau, B.; Giacomini, H.

2008-02-01

The relation between the Wilson-Polchinski and the Litim optimized ERGEs in the local potential approximation is studied with high accuracy using two different analytical approaches based on a field expansion: a recently proposed genuine analytical approximation scheme to two-point boundary value problems of ordinary differential equations, and a new one based on approximating the solution by generalized hypergeometric functions. A comparison with the numerical results obtained with the shooting method is made. A similar accuracy is reached in each case. Both two methods appear to be more efficient than the usual field expansions frequently used in the current studies of ERGEs (in particular for the Wilson-Polchinski case in the study of which they fail).

Approximate Solutions for Flow with a Stretching Boundary due to Partial Slip

PubMed Central

Filobello-Nino, U.; Vazquez-Leal, H.; Sarmiento-Reyes, A.; Benhammouda, B.; Jimenez-Fernandez, V. M.; Pereyra-Diaz, D.; Perez-Sesma, A.; Cervantes-Perez, J.; Huerta-Chua, J.; Sanchez-Orea, J.; Contreras-Hernandez, A. D.

2014-01-01

The homotopy perturbation method (HPM) is coupled with versions of Laplace-Padé and Padé methods to provide an approximate solution to the nonlinear differential equation that describes the behaviour of a flow with a stretching flat boundary due to partial slip. Comparing results between approximate and numerical solutions, we concluded that our results are capable of providing an accurate solution and are extremely efficient. PMID:27433526

Approximate Solution of Time-Fractional Advection-Dispersion Equation via Fractional Variational Iteration Method

PubMed Central

İbiş, Birol

2014-01-01

This paper aims to obtain the approximate solution of time-fractional advection-dispersion equation (FADE) involving Jumarie's modification of Riemann-Liouville derivative by the fractional variational iteration method (FVIM). FVIM provides an analytical approximate solution in the form of a convergent series. Some examples are given and the results indicate that the FVIM is of high accuracy, more efficient, and more convenient for solving time FADEs. PMID:24578662

The closure approximation in the hierarchy equations.

NASA Technical Reports Server (NTRS)

Adomian, G.

1971-01-01

The expectation of the solution process in a stochastic operator equation can be obtained from averaged equations only under very special circumstances. Conditions for validity are given and the significance and validity of the approximation in widely used hierarchy methods and the ?self-consistent field' approximation in nonequilibrium statistical mechanics are clarified. The error at any level of the hierarchy can be given and can be avoided by the use of the iterative method.

Ion mobility spectrometry: A personal view of its development at UCSB

DTIC Science & Technology

2014-09-15

molecules. As we progressed we realized that new, more accurate algorithms were needed to augment our early projection approximation (PA) for determining...required. The goal was to maintain some of the speed of the projection approximation and retain the accuracy of the trajectory method. Christian...Bleiholder, while a postdoc in my group, did just that by development of the projection superposition approximation (PSA) [31–35]. This new method is 100

Spline-based Rayleigh-Ritz methods for the approximation of the natural modes of vibration for flexible beams with tip bodies

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1985-01-01

Rayleigh-Ritz methods for the approximation of the natural modes for a class of vibration problems involving flexible beams with tip bodies using subspaces of piecewise polynomial spline functions are developed. An abstract operator theoretic formulation of the eigenvalue problem is derived and spectral properties investigated. The existing theory for spline-based Rayleigh-Ritz methods applied to elliptic differential operators and the approximation properties of interpolatory splines are useed to argue convergence and establish rates of convergence. An example and numerical results are discussed.

Error Estimates for Approximate Solutions of the Riccati Equation with Real or Complex Potentials

NASA Astrophysics Data System (ADS)

Finster, Felix; Smoller, Joel

2010-09-01

A method is presented for obtaining rigorous error estimates for approximate solutions of the Riccati equation, with real or complex potentials. Our main tool is to derive invariant region estimates for complex solutions of the Riccati equation. We explain the general strategy for applying these estimates and illustrate the method in typical examples, where the approximate solutions are obtained by gluing together WKB and Airy solutions of corresponding one-dimensional Schrödinger equations. Our method is motivated by, and has applications to, the analysis of linear wave equations in the geometry of a rotating black hole.

Determination of the rotational diffusion tensor of macromolecules in solution from nmr relaxation data with a combination of exact and approximate methods--application to the determination of interdomain orientation in multidomain proteins.

PubMed

Ghose, R; Fushman, D; Cowburn, D

2001-04-01

In this paper we present a method for determining the rotational diffusion tensor from NMR relaxation data using a combination of approximate and exact methods. The approximate method, which is computationally less intensive, computes values of the principal components of the diffusion tensor and estimates the Euler angles, which relate the principal axis frame of the diffusion tensor to the molecular frame. The approximate values of the principal components are then used as starting points for an exact calculation by a downhill simplex search for the principal components of the tensor over a grid of the space of Euler angles relating the diffusion tensor frame to the molecular frame. The search space of Euler angles is restricted using the tensor orientations calculated using the approximate method. The utility of this approach is demonstrated using both simulated and experimental relaxation data. A quality factor that determines the extent of the agreement between the measured and predicted relaxation data is provided. This approach is then used to estimate the relative orientation of SH3 and SH2 domains in the SH(32) dual-domain construct of Abelson kinase complexed with a consolidated ligand. Copyright 2001 Academic Press.

Methods of producing continuous boron carbide fibers

DOEpatents

Garnier, John E.; Griffith, George W.

2015-12-01

Methods of producing continuous boron carbide fibers. The method comprises reacting a continuous carbon fiber material and a boron oxide gas within a temperature range of from approximately 1400.degree. C. to approximately 2200.degree. C. Continuous boron carbide fibers, continuous fibers comprising boron carbide, and articles including at least a boron carbide coating are also disclosed.

A Review of Spectral Methods for Variable Amplitude Fatigue Prediction and New Results

NASA Technical Reports Server (NTRS)

Larsen, Curtis E.; Irvine, Tom

2013-01-01

A comprehensive review of the available methods for estimating fatigue damage from variable amplitude loading is presented. The dependence of fatigue damage accumulation on power spectral density (psd) is investigated for random processes relevant to real structures such as in offshore or aerospace applications. Beginning with the Rayleigh (or narrow band) approximation, attempts at improved approximations or corrections to the Rayleigh approximation are examined by comparison to rainflow analysis of time histories simulated from psd functions representative of simple theoretical and real world applications. Spectral methods investigated include corrections by Wirsching and Light, Ortiz and Chen, the Dirlik formula, and the Single-Moment method, among other more recent proposed methods. Good agreement is obtained between the spectral methods and the time-domain rainflow identification for most cases, with some limitations. Guidelines are given for using the several spectral methods to increase confidence in the damage estimate.

The use of fractional orders in the determination of birefringence of highly dispersive materials by the channelled spectrum method

NASA Astrophysics Data System (ADS)

Nagarajan, K.; Shashidharan Nair, C. K.

2007-07-01

The channelled spectrum employing polarized light interference is a very convenient method for the study of dispersion of birefringence. However, while using this method, the absolute order of the polarized light interference fringes cannot be determined easily. Approximate methods are therefore used to estimate the order. One of the approximations is that the dispersion of birefringence across neighbouring integer order fringes is negligible. In this paper, we show how this approximation can cause errors. A modification is reported whereby the error in the determination of absolute fringe order can be reduced using fractional orders instead of integer orders. The theoretical background for this method supported with computer simulation is presented. An experimental arrangement implementing these modifications is described. This method uses a Constant Deviation Spectrometer (CDS) and a Soleil Babinet Compensator (SBC).

Application of Approximate Unsteady Aerodynamics for Flutter Analysis

NASA Technical Reports Server (NTRS)

Pak, Chan-gi; Li, Wesley W.

2010-01-01

A technique for approximating the modal aerodynamic influence coefficient (AIC) matrices by using basis functions has been developed. A process for using the resulting approximated modal AIC matrix in aeroelastic analysis has also been developed. The method requires the unsteady aerodynamics in frequency domain, and this methodology can be applied to the unsteady subsonic, transonic, and supersonic aerodynamics. The flutter solution can be found by the classic methods, such as rational function approximation, k, p-k, p, root locus et cetera. The unsteady aeroelastic analysis using unsteady subsonic aerodynamic approximation is demonstrated herein. The technique presented is shown to offer consistent flutter speed prediction on an aerostructures test wing (ATW) 2 and a hybrid wing body (HWB) type of vehicle configuration with negligible loss in precision. This method computes AICs that are functions of the changing parameters being studied and are generated within minutes of CPU time instead of hours. These results may have practical application in parametric flutter analyses as well as more efficient multidisciplinary design and optimization studies.

A simple low-computation-intensity model for approximating the distribution function of a sum of non-identical lognormals for financial applications

NASA Astrophysics Data System (ADS)

Messica, A.

2016-10-01

The probability distribution function of a weighted sum of non-identical lognormal random variables is required in various fields of science and engineering and specifically in finance for portfolio management as well as exotic options valuation. Unfortunately, it has no known closed form and therefore has to be approximated. Most of the approximations presented to date are complex as well as complicated for implementation. This paper presents a simple, and easy to implement, approximation method via modified moments matching and a polynomial asymptotic series expansion correction for a central limit theorem of a finite sum. The method results in an intuitively-appealing and computation-efficient approximation for a finite sum of lognormals of at least ten summands and naturally improves as the number of summands increases. The accuracy of the method is tested against the results of Monte Carlo simulationsand also compared against the standard central limit theorem andthe commonly practiced Markowitz' portfolio equations.

Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2005-02-01

The regular approximation to the normalized elimination of the small component (NESC) in the modified Dirac equation has been developed and presented in matrix form. The matrix form of the infinite-order regular approximation (IORA) expressions, obtained in [Filatov and Cremer, J. Chem. Phys. 118, 6741 (2003)] using the resolution of the identity, is the exact matrix representation and corresponds to the zeroth-order regular approximation to NESC (NESC-ZORA). Because IORA (=NESC-ZORA) is a variationally stable method, it was used as a suitable starting point for the development of the second-order regular approximation to NESC (NESC-SORA). As shown for hydrogenlike ions, NESC-SORA energies are closer to the exact Dirac energies than the energies from the fifth-order Douglas-Kroll approximation, which is much more computationally demanding than NESC-SORA. For the application of IORA (=NESC-ZORA) and NESC-SORA to many-electron systems, the number of the two-electron integrals that need to be evaluated (identical to the number of the two-electron integrals of a full Dirac-Hartree-Fock calculation) was drastically reduced by using the resolution of the identity technique. An approximation was derived, which requires only the two-electron integrals of a nonrelativistic calculation. The accuracy of this approach was demonstrated for heliumlike ions. The total energy based on the approximate integrals deviates from the energy calculated with the exact integrals by less than 5×10-9hartree units. NESC-ZORA and NESC-SORA can easily be implemented in any nonrelativistic quantum chemical program. Their application is comparable in cost with that of nonrelativistic methods. The methods can be run with density functional theory and any wave function method. NESC-SORA has the advantage that it does not imply a picture change.

Fast Approximations of the Rotational Diffusion Tensor and their Application to Structural Assembly of Molecular Complexes

PubMed Central

Berlin, Konstantin; O’Leary, Dianne P.; Fushman, David

2011-01-01

We present and evaluate a rigid-body, deterministic, molecular docking method, called ELMDOCK, that relies solely on the three-dimensional structure of the individual components and the overall rotational diffusion tensor of the complex, obtained from nuclear spin-relaxation measurements. We also introduce a docking method, called ELMPATIDOCK, derived from ELMDOCK and based on the new concept of combining the shape-related restraints from rotational diffusion with those from residual dipolar couplings, along with ambiguous contact/interface-related restraints obtained from chemical shift perturbations. ELMDOCK and ELMPATIDOCK use two novel approximations of the molecular rotational diffusion tensor that allow computationally efficient docking. We show that these approximations are accurate enough to properly dock the two components of a complex without the need to recompute the diffusion tensor at each iteration step. We analyze the accuracy, robustness, and efficiency of these methods using synthetic relaxation data for a large variety of protein-protein complexes. We also test our method on three protein systems for which the structure of the complex and experimental relaxation data are available, and analyze the effect of flexible unstructured tails on the outcome of docking. Additionally, we describe a method for integrating the new approximation methods into the existing docking approaches that use the rotational diffusion tensor as a restraint. The results show that the proposed docking method is robust against experimental errors in the relaxation data or structural rearrangements upon complex formation and is computationally more efficient than current methods. The developed approximations are accurate enough to be used in structure refinement protocols. PMID:21604302

Fast approximations of the rotational diffusion tensor and their application to structural assembly of molecular complexes.

PubMed

Berlin, Konstantin; O'Leary, Dianne P; Fushman, David

2011-07-01

We present and evaluate a rigid-body, deterministic, molecular docking method, called ELMDOCK, that relies solely on the three-dimensional structure of the individual components and the overall rotational diffusion tensor of the complex, obtained from nuclear spin-relaxation measurements. We also introduce a docking method, called ELMPATIDOCK, derived from ELMDOCK and based on the new concept of combining the shape-related restraints from rotational diffusion with those from residual dipolar couplings, along with ambiguous contact/interface-related restraints obtained from chemical shift perturbations. ELMDOCK and ELMPATIDOCK use two novel approximations of the molecular rotational diffusion tensor that allow computationally efficient docking. We show that these approximations are accurate enough to properly dock the two components of a complex without the need to recompute the diffusion tensor at each iteration step. We analyze the accuracy, robustness, and efficiency of these methods using synthetic relaxation data for a large variety of protein-protein complexes. We also test our method on three protein systems for which the structure of the complex and experimental relaxation data are available, and analyze the effect of flexible unstructured tails on the outcome of docking. Additionally, we describe a method for integrating the new approximation methods into the existing docking approaches that use the rotational diffusion tensor as a restraint. The results show that the proposed docking method is robust against experimental errors in the relaxation data or structural rearrangements upon complex formation and is computationally more efficient than current methods. The developed approximations are accurate enough to be used in structure refinement protocols. Copyright © 2011 Wiley-Liss, Inc.

ASP: Automated symbolic computation of approximate symmetries of differential equations

NASA Astrophysics Data System (ADS)

Jefferson, G. F.; Carminati, J.

2013-03-01

A recent paper (Pakdemirli et al. (2004) [12]) compared three methods of determining approximate symmetries of differential equations. Two of these methods are well known and involve either a perturbation of the classical Lie symmetry generator of the differential system (Baikov, Gazizov and Ibragimov (1988) [7], Ibragimov (1996) [6]) or a perturbation of the dependent variable/s and subsequent determination of the classical Lie point symmetries of the resulting coupled system (Fushchych and Shtelen (1989) [11]), both up to a specified order in the perturbation parameter. The third method, proposed by Pakdemirli, Yürüsoy and Dolapçi (2004) [12], simplifies the calculations required by Fushchych and Shtelen's method through the assignment of arbitrary functions to the non-linear components prior to computing symmetries. All three methods have been implemented in the new MAPLE package ASP (Automated Symmetry Package) which is an add-on to the MAPLE symmetry package DESOLVII (Vu, Jefferson and Carminati (2012) [25]). To our knowledge, this is the first computer package to automate all three methods of determining approximate symmetries for differential systems. Extensions to the theory have also been suggested for the third method and which generalise the first method to systems of differential equations. Finally, a number of approximate symmetries and corresponding solutions are compared with results in the literature.

Comparison of νμ->νe Oscillation calculations with matter effects

NASA Astrophysics Data System (ADS)

Gordon, Michael; Toki, Walter

2013-04-01

An introduction to neutrino oscillations in vacuum is presented, followed by a survey of various techniques for obtaining either exact or approximate expressions for νμ->νe oscillations in matter. The method devised by Mann, Kafka, Schneps, and Altinok produces an exact expression for the oscillation by determining explicitely the evolution operator. The method used by Freund yields an approximate oscillation probability by diagonalizing the Hamiltonian, finding the eigenvalues and eigenvectors, and then using those to find modified mixing angles with the matter effect taken into account. The method developed by Arafune, Koike, and Sato uses an alternate method to find an approximation of the evolution operator. These methods are compared to each other using parameters from both the T2K and LBNE experiments.

Coherent Anomaly Method Calculation on the Cluster Variation Method. II.

NASA Astrophysics Data System (ADS)

Wada, Koh; Watanabe, Naotosi; Uchida, Tetsuya

The critical exponents of the bond percolation model are calculated in the D(= 2,3,…)-dimensional simple cubic lattice on the basis of Suzuki's coherent anomaly method (CAM) by making use of a series of the pair, the square-cactus and the square approximations of the cluster variation method (CVM) in the s-state Potts model. These simple approximations give reasonable values of critical exponents α, β, γ and ν in comparison with ones estimated by other methods. It is also shown that the results of the pair and the square-cactus approximations can be derived as exact results of the bond percolation model on the Bethe and the square-cactus lattice, respectively, in the presence of ghost field without recourse to the s→1 limit of the s-state Potts model.

Three-dimensional inversion of multisource array electromagnetic data

NASA Astrophysics Data System (ADS)

Tartaras, Efthimios

Three-dimensional (3-D) inversion is increasingly important for the correct interpretation of geophysical data sets in complex environments. To this effect, several approximate solutions have been developed that allow the construction of relatively fast inversion schemes. One such method that is fast and provides satisfactory accuracy is the quasi-linear (QL) approximation. It has, however, the drawback that it is source-dependent and, therefore, impractical in situations where multiple transmitters in different positions are employed. I have, therefore, developed a localized form of the QL approximation that is source-independent. This so-called localized quasi-linear (LQL) approximation can have a scalar, a diagonal, or a full tensor form. Numerical examples of its comparison with the full integral equation solution, the Born approximation, and the original QL approximation are given. The objective behind developing this approximation is to use it in a fast 3-D inversion scheme appropriate for multisource array data such as those collected in airborne surveys, cross-well logging, and other similar geophysical applications. I have developed such an inversion scheme using the scalar and diagonal LQL approximation. It reduces the original nonlinear inverse electromagnetic (EM) problem to three linear inverse problems. The first of these problems is solved using a weighted regularized linear conjugate gradient method, whereas the last two are solved in the least squares sense. The algorithm I developed provides the option of obtaining either smooth or focused inversion images. I have applied the 3-D LQL inversion to synthetic 3-D EM data that simulate a helicopter-borne survey over different earth models. The results demonstrate the stability and efficiency of the method and show that the LQL approximation can be a practical solution to the problem of 3-D inversion of multisource array frequency-domain EM data. I have also applied the method to helicopter-borne EM data collected by INCO Exploration over the Voisey's Bay area in Labrador, Canada. The results of the 3-D inversion successfully delineate the shallow massive sulfides and show that the method can produce reasonable results even in areas of complex geology and large resistivity contrasts.

Identification of approximately duplicate material records in ERP systems

NASA Astrophysics Data System (ADS)

Zong, Wei; Wu, Feng; Chu, Lap-Keung; Sculli, Domenic

2017-03-01

The quality of master data is crucial for the accurate functioning of the various modules of an enterprise resource planning (ERP) system. This study addresses specific data problems arising from the generation of approximately duplicate material records in ERP databases. Such problems are mainly due to the firm's lack of unique and global identifiers for the material records, and to the arbitrary assignment of alternative names for the same material by various users. Traditional duplicate detection methods are ineffective in identifying such approximately duplicate material records because these methods typically rely on string comparisons of each field. To address this problem, a machine learning-based framework is developed to recognise semantic similarity between strings and to further identify and reunify approximately duplicate material records - a process referred to as de-duplication in this article. First, the keywords of the material records are extracted to form vectors of discriminating words. Second, a machine learning method using a probabilistic neural network is applied to determine the semantic similarity between these material records. The approach was evaluated using data from a real case study. The test results indicate that the proposed method outperforms traditional algorithms in identifying approximately duplicate material records.

The functional equation truncation method for approximating slow invariant manifolds: a rapid method for computing intrinsic low-dimensional manifolds.

PubMed

Roussel, Marc R; Tang, Terry

2006-12-07

A slow manifold is a low-dimensional invariant manifold to which trajectories nearby are rapidly attracted on the way to the equilibrium point. The exact computation of the slow manifold simplifies the model without sacrificing accuracy on the slow time scales of the system. The Maas-Pope intrinsic low-dimensional manifold (ILDM) [Combust. Flame 88, 239 (1992)] is frequently used as an approximation to the slow manifold. This approximation is based on a linearized analysis of the differential equations and thus neglects curvature. We present here an efficient way to calculate an approximation equivalent to the ILDM. Our method, called functional equation truncation (FET), first develops a hierarchy of functional equations involving higher derivatives which can then be truncated at second-derivative terms to explicitly neglect the curvature. We prove that the ILDM and FET-approximated (FETA) manifolds are identical for the one-dimensional slow manifold of any planar system. In higher-dimensional spaces, the ILDM and FETA manifolds agree to numerical accuracy almost everywhere. Solution of the FET equations is, however, expected to generally be faster than the ILDM method.

A dynamic-solver-consistent minimum action method: With an application to 2D Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Wan, Xiaoliang; Yu, Haijun

2017-02-01

This paper discusses the necessity and strategy to unify the development of a dynamic solver and a minimum action method (MAM) for a spatially extended system when employing the large deviation principle (LDP) to study the effects of small random perturbations. A dynamic solver is used to approximate the unperturbed system, and a minimum action method is used to approximate the LDP, which corresponds to solving an Euler-Lagrange equation related to but more complicated than the unperturbed system. We will clarify possible inconsistencies induced by independent numerical approximations of the unperturbed system and the LDP, based on which we propose to define both the dynamic solver and the MAM on the same approximation space for spatial discretization. The semi-discrete LDP can then be regarded as the exact LDP of the semi-discrete unperturbed system, which is a finite-dimensional ODE system. We achieve this methodology for the two-dimensional Navier-Stokes equations using a divergence-free approximation space. The method developed can be used to study the nonlinear instability of wall-bounded parallel shear flows, and be generalized straightforwardly to three-dimensional cases. Numerical experiments are presented.

Piecewise-homotopy analysis method (P-HAM) for first order nonlinear ODE

NASA Astrophysics Data System (ADS)

Chin, F. Y.; Lem, K. H.; Chong, F. S.

2013-09-01

In homotopy analysis method (HAM), the determination for the value of the auxiliary parameter h is based on the valid region of the h-curve in which the horizontal segment of the h-curve will decide the valid h-region. All h-value taken from the valid region, provided that the order of deformation is large enough, will in principle yield an approximation series that converges to the exact solution. However it is found out that the h-value chosen within this valid region does not always promise a good approximation under finite order. This paper suggests an improved method called Piecewise-HAM (P-HAM). In stead of a single h-value, this method suggests using many h-values. Each of the h-values comes from an individual h-curve while each h-curve is plotted by fixing the time t at a different value. Each h-value is claimed to produce a good approximation only about a neighborhood centered at the corresponding t which the h-curve is based on. Each segment of these good approximations is then joined to form the approximation curve. By this, the convergence region is enhanced further. The P-HAM is illustrated and supported by examples.

A general moment expansion method for stochastic kinetic models

NASA Astrophysics Data System (ADS)

Ale, Angelique; Kirk, Paul; Stumpf, Michael P. H.

2013-05-01

Moment approximation methods are gaining increasing attention for their use in the approximation of the stochastic kinetics of chemical reaction systems. In this paper we derive a general moment expansion method for any type of propensities and which allows expansion up to any number of moments. For some chemical reaction systems, more than two moments are necessary to describe the dynamic properties of the system, which the linear noise approximation is unable to provide. Moreover, also for systems for which the mean does not have a strong dependence on higher order moments, moment approximation methods give information about higher order moments of the underlying probability distribution. We demonstrate the method using a dimerisation reaction, Michaelis-Menten kinetics and a model of an oscillating p53 system. We show that for the dimerisation reaction and Michaelis-Menten enzyme kinetics system higher order moments have limited influence on the estimation of the mean, while for the p53 system, the solution for the mean can require several moments to converge to the average obtained from many stochastic simulations. We also find that agreement between lower order moments does not guarantee that higher moments will agree. Compared to stochastic simulations, our approach is numerically highly efficient at capturing the behaviour of stochastic systems in terms of the average and higher moments, and we provide expressions for the computational cost for different system sizes and orders of approximation. We show how the moment expansion method can be employed to efficiently quantify parameter sensitivity. Finally we investigate the effects of using too few moments on parameter estimation, and provide guidance on how to estimate if the distribution can be accurately approximated using only a few moments.

[Cost accounting for gastrectomy under critical path--the usefulness of direct accounting of personnel expenses and a guide to shortening hospital stay].

PubMed

Nozue, M; Maruyama, T; Imamura, F; Fukue, M

2000-08-01

In this study, cost accounting was made for a surgical case of gastrectomy according to critical path (path) and the economic contribution of the path was determined. In addition, changes in the cost percentage with changes in number of hospital days were simulated. Basically, cost accounting was done by means of cost accounting by departments, which meets the concept of direct cost accounting of administered accounts. Personnel expenses were calculated by means of both direct and indirect calculations. In the direct method, the total hours personnel participated were recorded for calculation. In the indirect method, personnel expenses were calculated from the ratio of the income of the surgical department to that of other departments. Purchase prices for all materials and drugs used were recorded to check buying costs. According to the direct calculating method, the personnel expenses came to approximately 300,000 yen, total cost was approximately 700,000 yen, and the cost percentage was 59%. According to the indirect method, the personnel expenses were approximately 540,000 yen and the total cost was approximately 940,000 yen, the cost percentage being 80%. A simulation study of changes in the cost with changes in hospital days revealed that the cost percentages were assessed to be approximately 53% in 19 hospital days and approximately 45% in 12 hospital days.

Ranking Support Vector Machine with Kernel Approximation

PubMed Central

Dou, Yong

2017-01-01

Learning to rank algorithm has become important in recent years due to its successful application in information retrieval, recommender system, and computational biology, and so forth. Ranking support vector machine (RankSVM) is one of the state-of-art ranking models and has been favorably used. Nonlinear RankSVM (RankSVM with nonlinear kernels) can give higher accuracy than linear RankSVM (RankSVM with a linear kernel) for complex nonlinear ranking problem. However, the learning methods for nonlinear RankSVM are still time-consuming because of the calculation of kernel matrix. In this paper, we propose a fast ranking algorithm based on kernel approximation to avoid computing the kernel matrix. We explore two types of kernel approximation methods, namely, the Nyström method and random Fourier features. Primal truncated Newton method is used to optimize the pairwise L2-loss (squared Hinge-loss) objective function of the ranking model after the nonlinear kernel approximation. Experimental results demonstrate that our proposed method gets a much faster training speed than kernel RankSVM and achieves comparable or better performance over state-of-the-art ranking algorithms. PMID:28293256

Ranking Support Vector Machine with Kernel Approximation.

PubMed

Chen, Kai; Li, Rongchun; Dou, Yong; Liang, Zhengfa; Lv, Qi

2017-01-01

Learning to rank algorithm has become important in recent years due to its successful application in information retrieval, recommender system, and computational biology, and so forth. Ranking support vector machine (RankSVM) is one of the state-of-art ranking models and has been favorably used. Nonlinear RankSVM (RankSVM with nonlinear kernels) can give higher accuracy than linear RankSVM (RankSVM with a linear kernel) for complex nonlinear ranking problem. However, the learning methods for nonlinear RankSVM are still time-consuming because of the calculation of kernel matrix. In this paper, we propose a fast ranking algorithm based on kernel approximation to avoid computing the kernel matrix. We explore two types of kernel approximation methods, namely, the Nyström method and random Fourier features. Primal truncated Newton method is used to optimize the pairwise L2-loss (squared Hinge-loss) objective function of the ranking model after the nonlinear kernel approximation. Experimental results demonstrate that our proposed method gets a much faster training speed than kernel RankSVM and achieves comparable or better performance over state-of-the-art ranking algorithms.

On conforming mixed finite element methods for incompressible viscous flow problems

NASA Technical Reports Server (NTRS)

Gunzburger, M. D; Nicolaides, R. A.; Peterson, J. S.

1982-01-01

The application of conforming mixed finite element methods to obtain approximate solutions of linearized Navier-Stokes equations is examined. Attention is given to the convergence rates of various finite element approximations of the pressure and the velocity field. The optimality of the convergence rates are addressed in terms of comparisons of the approximation convergence to a smooth solution in relation to the best approximation available for the finite element space used. Consideration is also devoted to techniques for efficient use of a Gaussian elimination algorithm to obtain a solution to a system of linear algebraic equations derived by finite element discretizations of linear partial differential equations.

Method of making thermally removable epoxies

DOEpatents

Loy, Douglas A.; Wheeler, David R.; Russick, Edward M.; McElhanon, James R.; Saunders, Randall S.

2002-01-01

A method of making a thermally-removable epoxy by mixing a bis(maleimide) compound to a monomeric furan compound containing an oxirane group to form a di-epoxy mixture and then adding a curing agent at temperatures from approximately room temperature to less than approximately 90.degree. C. to form a thermally-removable epoxy. The thermally-removable epoxy can be easily removed within approximately an hour by heating to temperatures greater than approximately 90.degree. C. in a polar solvent. The epoxy material can be used in protecting electronic components that may require subsequent removal of the solid material for component repair, modification or quality control.

Validation of space-based polarization measurements by use of a single-scattering approximation, with application to the global ozone monitoring experiment.

PubMed

Aben, Ilse; Tanzi, Cristina P; Hartmann, Wouter; Stam, Daphne M; Stammes, Piet

2003-06-20

A method is presented for in-flight validation of space-based polarization measurements based on approximation of the direction of polarization of scattered sunlight by the Rayleigh single-scattering value. This approximation is verified by simulations of radiative transfer calculations for various atmospheric conditions. The simulations show locations along an orbit where the scattering geometries are such that the intensities of the parallel and orthogonal polarization components of the light are equal, regardless of the observed atmosphere and surface. The method can be applied to any space-based instrument that measures the polarization of reflected solar light. We successfully applied the method to validate the Global Ozone Monitoring Experiment (GOME) polarization measurements. The error in the GOME's three broadband polarization measurements appears to be approximately 1%.

On the connection between multigrid and cyclic reduction

NASA Technical Reports Server (NTRS)

Merriam, M. L.

1984-01-01

A technique is shown whereby it is possible to relate a particular multigrid process to cyclic reduction using purely mathematical arguments. This technique suggest methods for solving Poisson's equation in 1-, 2-, or 3-dimensions with Dirichlet or Neumann boundary conditions. In one dimension the method is exact and, in fact, reduces to cyclic reduction. This provides a valuable reference point for understanding multigrid techniques. The particular multigrid process analyzed is referred to here as Approximate Cyclic Reduction (ACR) and is one of a class known as Multigrid Reduction methods in the literature. It involves one approximation with a known error term. It is possible to relate the error term in this approximation with certain eigenvector components of the error. These are sharply reduced in amplitude by classical relaxation techniques. The approximation can thus be made a very good one.

NONLINEAR MULTIGRID SOLVER EXPLOITING AMGe COARSE SPACES WITH APPROXIMATION PROPERTIES

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

Christensen, Max La Cour; Villa, Umberto E.; Engsig-Karup, Allan P.

The paper introduces a nonlinear multigrid solver for mixed nite element discretizations based on the Full Approximation Scheme (FAS) and element-based Algebraic Multigrid (AMGe). The main motivation to use FAS for unstruc- tured problems is the guaranteed approximation property of the AMGe coarse spaces that were developed recently at Lawrence Livermore National Laboratory. These give the ability to derive stable and accurate coarse nonlinear discretization problems. The previous attempts (including ones with the original AMGe method, [5, 11]), were less successful due to lack of such good approximation properties of the coarse spaces. With coarse spaces with approximation properties, ourmore » FAS approach on un- structured meshes should be as powerful/successful as FAS on geometrically re ned meshes. For comparison, Newton's method and Picard iterations with an inner state-of-the-art linear solver is compared to FAS on a nonlinear saddle point problem with applications to porous media ow. It is demonstrated that FAS is faster than Newton's method and Picard iterations for the experiments considered here. Due to the guaranteed approximation properties of our AMGe, the coarse spaces are very accurate, providing a solver with the potential for mesh-independent convergence on general unstructured meshes.« less

Characterizing the D2 statistic: word matches in biological sequences.

PubMed

Forêt, Sylvain; Wilson, Susan R; Burden, Conrad J

2009-01-01

Word matches are often used in sequence comparison methods, either as a measure of sequence similarity or in the first search steps of algorithms such as BLAST or BLAT. The D2 statistic is the number of matches of words of k letters between two sequences. Recent advances have been made in the characterization of this statistic and in the approximation of its distribution. Here, these results are extended to the case of approximate word matches. We compute the exact value of the variance of the D2 statistic for the case of a uniform letter distribution, and introduce a method to provide accurate approximations of the variance in the remaining cases. This enables the distribution of D2 to be approximated for typical situations arising in biological research. We apply these results to the identification of cis-regulatory modules, and show that this method detects such sequences with a high accuracy. The ability to approximate the distribution of D2 for both exact and approximate word matches will enable the use of this statistic in a more precise manner for sequence comparison, database searches, and identification of transcription factor binding sites.

Approximation of reliabilities for multiple-trait model with maternal effects.

PubMed

Strabel, T; Misztal, I; Bertrand, J K

2001-04-01

Reliabilities for a multiple-trait maternal model were obtained by combining reliabilities obtained from single-trait models. Single-trait reliabilities were obtained using an approximation that supported models with additive and permanent environmental effects. For the direct effect, the maternal and permanent environmental variances were assigned to the residual. For the maternal effect, variance of the direct effect was assigned to the residual. Data included 10,550 birth weight, 11,819 weaning weight, and 3,617 postweaning gain records of Senepol cattle. Reliabilities were obtained by generalized inversion and by using single-trait and multiple-trait approximation methods. Some reliabilities obtained by inversion were negative because inbreeding was ignored in calculating the inverse of the relationship matrix. The multiple-trait approximation method reduced the bias of approximation when compared with the single-trait method. The correlations between reliabilities obtained by inversion and by multiple-trait procedures for the direct effect were 0.85 for birth weight, 0.94 for weaning weight, and 0.96 for postweaning gain. Correlations for maternal effects for birth weight and weaning weight were 0.96 to 0.98 for both approximations. Further improvements can be achieved by refining the single-trait procedures.

Numerical solution of 2D-vector tomography problem using the method of approximate inverse

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

Svetov, Ivan; Maltseva, Svetlana; Polyakova, Anna

2016-08-10

We propose a numerical solution of reconstruction problem of a two-dimensional vector field in a unit disk from the known values of the longitudinal and transverse ray transforms. The algorithm is based on the method of approximate inverse. Numerical simulations confirm that the proposed method yields good results of reconstruction of vector fields.

A Subsonic Aircraft Design Optimization With Neural Network and Regression Approximators

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Coroneos, Rula M.; Guptill, James D.; Hopkins, Dale A.; Haller, William J.

2004-01-01

The Flight-Optimization-System (FLOPS) code encountered difficulty in analyzing a subsonic aircraft. The limitation made the design optimization problematic. The deficiencies have been alleviated through use of neural network and regression approximations. The insight gained from using the approximators is discussed in this paper. The FLOPS code is reviewed. Analysis models are developed and validated for each approximator. The regression method appears to hug the data points, while the neural network approximation follows a mean path. For an analysis cycle, the approximate model required milliseconds of central processing unit (CPU) time versus seconds by the FLOPS code. Performance of the approximators was satisfactory for aircraft analysis. A design optimization capability has been created by coupling the derived analyzers to the optimization test bed CometBoards. The approximators were efficient reanalysis tools in the aircraft design optimization. Instability encountered in the FLOPS analyzer was eliminated. The convergence characteristics were improved for the design optimization. The CPU time required to calculate the optimum solution, measured in hours with the FLOPS code was reduced to minutes with the neural network approximation and to seconds with the regression method. Generation of the approximators required the manipulation of a very large quantity of data. Design sensitivity with respect to the bounds of aircraft constraints is easily generated.

ELECTRONIC DIGITAL COMPUTER

DOEpatents

Stone, J.J. Jr.; Bettis, E.S.; Mann, E.R.

1957-10-01

The electronic digital computer is designed to solve systems involving a plurality of simultaneous linear equations. The computer can solve a system which converges rather rapidly when using Von Seidel's method of approximation and performs the summations required for solving for the unknown terms by a method of successive approximations.

Approximate analysis for repeated eigenvalue problems with applications to controls-structure integrated design

NASA Technical Reports Server (NTRS)

Kenny, Sean P.; Hou, Gene J. W.

1994-01-01

A method for eigenvalue and eigenvector approximate analysis for the case of repeated eigenvalues with distinct first derivatives is presented. The approximate analysis method developed involves a reparameterization of the multivariable structural eigenvalue problem in terms of a single positive-valued parameter. The resulting equations yield first-order approximations to changes in the eigenvalues and the eigenvectors associated with the repeated eigenvalue problem. This work also presents a numerical technique that facilitates the definition of an eigenvector derivative for the case of repeated eigenvalues with repeated eigenvalue derivatives (of all orders). Examples are given which demonstrate the application of such equations for sensitivity and approximate analysis. Emphasis is placed on the application of sensitivity analysis to large-scale structural and controls-structures optimization problems.

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Method for calculation of electrical and optical properties of laser active media

NASA Astrophysics Data System (ADS)

Aleksandrov, D. G.; Filipov, F. I.

1988-11-01

A method is proposed for calculation of the electron band structure of multicomponent semiconductor solid solutions. Use is made of virtual atomic orbitals formed from real orbitals. The method represents essentially an approximation of a multicomponent solid solution by a binary one. The matrix elements of the Hamiltonian are obtained in the methods of linear combinations of atomic and bound orbitals. Some approximations used in these methods are described.

Multi-fidelity stochastic collocation method for computation of statistical moments

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

Zhu, Xueyu, E-mail: xueyu-zhu@uiowa.edu; Linebarger, Erin M., E-mail: aerinline@sci.utah.edu; Xiu, Dongbin, E-mail: xiu.16@osu.edu

We present an efficient numerical algorithm to approximate the statistical moments of stochastic problems, in the presence of models with different fidelities. The method extends the multi-fidelity approximation method developed in . By combining the efficiency of low-fidelity models and the accuracy of high-fidelity models, our method exhibits fast convergence with a limited number of high-fidelity simulations. We establish an error bound of the method and present several numerical examples to demonstrate the efficiency and applicability of the multi-fidelity algorithm.

A Lyapunov and Sacker–Sell spectral stability theory for one-step methods

DOE PAGES

Steyer, Andrew J.; Van Vleck, Erik S.

2018-04-13

Approximation theory for Lyapunov and Sacker–Sell spectra based upon QR techniques is used to analyze the stability of a one-step method solving a time-dependent (nonautonomous) linear ordinary differential equation (ODE) initial value problem in terms of the local error. Integral separation is used to characterize the conditioning of stability spectra calculations. The stability of the numerical solution by a one-step method of a nonautonomous linear ODE using real-valued, scalar, nonautonomous linear test equations is justified. This analysis is used to approximate exponential growth/decay rates on finite and infinite time intervals and establish global error bounds for one-step methods approximating uniformly,more » exponentially stable trajectories of nonautonomous and nonlinear ODEs. A time-dependent stiffness indicator and a one-step method that switches between explicit and implicit Runge–Kutta methods based upon time-dependent stiffness are developed based upon the theoretical results.« less

The arbitrary order mixed mimetic finite difference method for the diffusion equation

DOE PAGES

Gyrya, Vitaliy; Lipnikov, Konstantin; Manzini, Gianmarco

2016-05-01

Here, we propose an arbitrary-order accurate mimetic finite difference (MFD) method for the approximation of diffusion problems in mixed form on unstructured polygonal and polyhedral meshes. As usual in the mimetic numerical technology, the method satisfies local consistency and stability conditions, which determines the accuracy and the well-posedness of the resulting approximation. The method also requires the definition of a high-order discrete divergence operator that is the discrete analog of the divergence operator and is acting on the degrees of freedom. The new family of mimetic methods is proved theoretically to be convergent and optimal error estimates for flux andmore » scalar variable are derived from the convergence analysis. A numerical experiment confirms the high-order accuracy of the method in solving diffusion problems with variable diffusion tensor. It is worth mentioning that the approximation of the scalar variable presents a superconvergence effect.« less

A Lyapunov and Sacker–Sell spectral stability theory for one-step methods

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

Steyer, Andrew J.; Van Vleck, Erik S.

Approximation theory for Lyapunov and Sacker–Sell spectra based upon QR techniques is used to analyze the stability of a one-step method solving a time-dependent (nonautonomous) linear ordinary differential equation (ODE) initial value problem in terms of the local error. Integral separation is used to characterize the conditioning of stability spectra calculations. The stability of the numerical solution by a one-step method of a nonautonomous linear ODE using real-valued, scalar, nonautonomous linear test equations is justified. This analysis is used to approximate exponential growth/decay rates on finite and infinite time intervals and establish global error bounds for one-step methods approximating uniformly,more » exponentially stable trajectories of nonautonomous and nonlinear ODEs. A time-dependent stiffness indicator and a one-step method that switches between explicit and implicit Runge–Kutta methods based upon time-dependent stiffness are developed based upon the theoretical results.« less

Fourth-order numerical solutions of diffusion equation by using SOR method with Crank-Nicolson approach

NASA Astrophysics Data System (ADS)

Muhiddin, F. A.; Sulaiman, J.

2017-09-01

The aim of this paper is to investigate the effectiveness of the Successive Over-Relaxation (SOR) iterative method by using the fourth-order Crank-Nicolson (CN) discretization scheme to derive a five-point Crank-Nicolson approximation equation in order to solve diffusion equation. From this approximation equation, clearly, it can be shown that corresponding system of five-point approximation equations can be generated and then solved iteratively. In order to access the performance results of the proposed iterative method with the fourth-order CN scheme, another point iterative method which is Gauss-Seidel (GS), also presented as a reference method. Finally the numerical results obtained from the use of the fourth-order CN discretization scheme, it can be pointed out that the SOR iterative method is superior in terms of number of iterations, execution time, and maximum absolute error.

Gradients estimation from random points with volumetric tensor in turbulence

NASA Astrophysics Data System (ADS)

Watanabe, Tomoaki; Nagata, Koji

2017-12-01

We present an estimation method of fully-resolved/coarse-grained gradients from randomly distributed points in turbulence. The method is based on a linear approximation of spatial gradients expressed with the volumetric tensor, which is a 3 × 3 matrix determined by a geometric distribution of the points. The coarse grained gradient can be considered as a low pass filtered gradient, whose cutoff is estimated with the eigenvalues of the volumetric tensor. The present method, the volumetric tensor approximation, is tested for velocity and passive scalar gradients in incompressible planar jet and mixing layer. Comparison with a finite difference approximation on a Cartesian grid shows that the volumetric tensor approximation computes the coarse grained gradients fairly well at a moderate computational cost under various conditions of spatial distributions of points. We also show that imposing the solenoidal condition improves the accuracy of the present method for solenoidal vectors, such as a velocity vector in incompressible flows, especially when the number of the points is not large. The volumetric tensor approximation with 4 points poorly estimates the gradient because of anisotropic distribution of the points. Increasing the number of points from 4 significantly improves the accuracy. Although the coarse grained gradient changes with the cutoff length, the volumetric tensor approximation yields the coarse grained gradient whose magnitude is close to the one obtained by the finite difference. We also show that the velocity gradient estimated with the present method well captures the turbulence characteristics such as local flow topology, amplification of enstrophy and strain, and energy transfer across scales.

Global optimization method based on ray tracing to achieve optimum figure error compensation

NASA Astrophysics Data System (ADS)

Liu, Xiaolin; Guo, Xuejia; Tang, Tianjin

2017-02-01

Figure error would degrade the performance of optical system. When predicting the performance and performing system assembly, compensation by clocking of optical components around the optical axis is a conventional but user-dependent method. Commercial optical software cannot optimize this clocking. Meanwhile existing automatic figure-error balancing methods can introduce approximate calculation error and the build process of optimization model is complex and time-consuming. To overcome these limitations, an accurate and automatic global optimization method of figure error balancing is proposed. This method is based on precise ray tracing to calculate the wavefront error, not approximate calculation, under a given elements' rotation angles combination. The composite wavefront error root-mean-square (RMS) acts as the cost function. Simulated annealing algorithm is used to seek the optimal combination of rotation angles of each optical element. This method can be applied to all rotational symmetric optics. Optimization results show that this method is 49% better than previous approximate analytical method.

Laplace transform homotopy perturbation method for the approximation of variational problems.

PubMed

Filobello-Nino, U; Vazquez-Leal, H; Rashidi, M M; Sedighi, H M; Perez-Sesma, A; Sandoval-Hernandez, M; Sarmiento-Reyes, A; Contreras-Hernandez, A D; Pereyra-Diaz, D; Hoyos-Reyes, C; Jimenez-Fernandez, V M; Huerta-Chua, J; Castro-Gonzalez, F; Laguna-Camacho, J R

2016-01-01

This article proposes the application of Laplace Transform-Homotopy Perturbation Method and some of its modifications in order to find analytical approximate solutions for the linear and nonlinear differential equations which arise from some variational problems. As case study we will solve four ordinary differential equations, and we will show that the proposed solutions have good accuracy, even we will obtain an exact solution. In the sequel, we will see that the square residual error for the approximate solutions, belongs to the interval [0.001918936920, 0.06334882582], which confirms the accuracy of the proposed methods, taking into account the complexity and difficulty of variational problems.

A sequential method for spline approximation with variable knots. [recursive piecewise polynomial signal processing

NASA Technical Reports Server (NTRS)

Mier Muth, A. M.; Willsky, A. S.

1978-01-01

In this paper we describe a method for approximating a waveform by a spline. The method is quite efficient, as the data are processed sequentially. The basis of the approach is to view the approximation problem as a question of estimation of a polynomial in noise, with the possibility of abrupt changes in the highest derivative. This allows us to bring several powerful statistical signal processing tools into play. We also present some initial results on the application of our technique to the processing of electrocardiograms, where the knot locations themselves may be some of the most important pieces of diagnostic information.

Approximation methods for control of acoustic/structure models with piezoceramic actuators

NASA Technical Reports Server (NTRS)

Banks, H. T.; Fang, W.; Silcox, R. J.; Smith, R. C.

1991-01-01

The active control of acoustic pressure in a 2-D cavity with a flexible boundary (a beam) is considered. Specifically, this control is implemented via piezoceramic patches on the beam which produces pure bending moments. The incorporation of the feedback control in this manner leads to a system with an unbounded input term. Approximation methods in this manner leads to a system with an unbounded input term. Approximation methods in the context of linear quadratic regulator (LQR) state space control formulation are discussed and numerical results demonstrating the effectiveness of this approach in computing feedback controls for noise reduction are presented.

Similarity-transformed equation-of-motion vibrational coupled-cluster theory.

PubMed

Faucheaux, Jacob A; Nooijen, Marcel; Hirata, So

2018-02-07

A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

Similarity-transformed equation-of-motion vibrational coupled-cluster theory

NASA Astrophysics Data System (ADS)

Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So

2018-02-01

A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

Approximate convective heating equations for hypersonic flows

NASA Technical Reports Server (NTRS)

Zoby, E. V.; Moss, J. N.; Sutton, K.

1979-01-01

Laminar and turbulent heating-rate equations appropriate for engineering predictions of the convective heating rates about blunt reentry spacecraft at hypersonic conditions are developed. The approximate methods are applicable to both nonreacting and reacting gas mixtures for either constant or variable-entropy edge conditions. A procedure which accounts for variable-entropy effects and is not based on mass balancing is presented. Results of the approximate heating methods are in good agreement with existing experimental results as well as boundary-layer and viscous-shock-layer solutions.

Silicon carbide fibers and articles including same

DOEpatents

Garnier, John E; Griffith, George W

2015-01-27

Methods of producing silicon carbide fibers. The method comprises reacting a continuous carbon fiber material and a silicon-containing gas in a reaction chamber at a temperature ranging from approximately 1500.degree. C. to approximately 2000.degree. C. A partial pressure of oxygen in the reaction chamber is maintained at less than approximately 1.01.times.10.sup.2 Pascal to produce continuous alpha silicon carbide fibers. Continuous alpha silicon carbide fibers and articles formed from the continuous alpha silicon carbide fibers are also disclosed.

Approximation of reliability of direct genomic breeding values

USDA-ARS?s Scientific Manuscript database

Two methods to efficiently approximate theoretical genomic reliabilities are presented. The first method is based on the direct inverse of the left hand side (LHS) of mixed model equations. It uses the genomic relationship matrix for a small subset of individuals with the highest genomic relationshi...

Methods to approximate reliabilities in single-step genomic evaluation

USDA-ARS?s Scientific Manuscript database

Reliability of predictions from single-step genomic BLUP (ssGBLUP) can be calculated by inversion, but that is not feasible for large data sets. Two methods of approximating reliability were developed based on decomposition of a function of reliability into contributions from records, pedigrees, and...

Coherent Anomaly Method Calculation on the Cluster Variation Method. II. Critical Exponents of Bond Percolation Model

NASA Astrophysics Data System (ADS)

Wada, Koh; Watanabe, Naotosi; Uchida, Tetsuya

1991-10-01

The critical exponents of the bond percolation model are calculated in the D(=2, 3, \\cdots)-dimensional simple cubic lattice on the basis of Suzuki’s coherent anomaly method (CAM) by making use of a series of the pair, the square-cactus and the square approximations of the cluster variation method (CVM) in the s-state Potts model. These simple approximations give reasonable values of critical exponents α, β, γ and ν in comparison with ones estimated by other methods. It is also shown that the results of the pair and the square-cactus approximations can be derived as exact results of the bond percolation model on the Bethe and the square-cactus lattice, respectively, in the presence of ghost field without recourse to the s→1 limit of the s-state Potts model.

Semi-discrete approximations to nonlinear systems of conservation laws; consistency and L(infinity)-stability imply convergence

NASA Technical Reports Server (NTRS)

Tadmor, Eitan

1988-01-01

A convergence theory for semi-discrete approximations to nonlinear systems of conservation laws is developed. It is shown, by a series of scalar counter-examples, that consistency with the conservation law alone does not guarantee convergence. Instead, a notion of consistency which takes into account both the conservation law and its augmenting entropy condition is introduced. In this context it is concluded that consistency and L(infinity)-stability guarantee for a relevant class of admissible entropy functions, that their entropy production rate belongs to a compact subset of H(loc)sup -1 (x,t). One can now use compensated compactness arguments in order to turn this conclusion into a convergence proof. The current state of the art for these arguments includes the scalar and a wide class of 2 x 2 systems of conservation laws. The general framework of the vanishing viscosity method is studied as an effective way to meet the consistency and L(infinity)-stability requirements. How this method is utilized to enforce consistency and stability for scalar conservation laws is shown. In this context we prove, under the appropriate assumptions, the convergence of finite difference approximations (e.g., the high resolution TVD and UNO methods), finite element approximations (e.g., the Streamline-Diffusion methods) and spectral and pseudospectral approximations (e.g., the Spectral Viscosity methods).

Semi-discrete approximations to nonlinear systems of conservation laws; consistency and L(infinity)-stability imply convergence. Final report

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

Tadmor, E.

1988-07-01

A convergence theory for semi-discrete approximations to nonlinear systems of conservation laws is developed. It is shown, by a series of scalar counter-examples, that consistency with the conservation law alone does not guarantee convergence. Instead, a notion of consistency which takes into account both the conservation law and its augmenting entropy condition is introduced. In this context it is concluded that consistency and L(infinity)-stability guarantee for a relevant class of admissible entropy functions, that their entropy production rate belongs to a compact subset of H(loc)sup -1 (x,t). One can now use compensated compactness arguments in order to turn this conclusionmore » into a convergence proof. The current state of the art for these arguments includes the scalar and a wide class of 2 x 2 systems of conservation laws. The general framework of the vanishing viscosity method is studied as an effective way to meet the consistency and L(infinity)-stability requirements. How this method is utilized to enforce consistency and stability for scalar conservation laws is shown. In this context we prove, under the appropriate assumptions, the convergence of finite difference approximations (e.g., the high resolution TVD and UNO methods), finite element approximations (e.g., the Streamline-Diffusion methods) and spectral and pseudospectral approximations (e.g., the Spectral Viscosity methods).« less

Energy conservation - A test for scattering approximations

NASA Technical Reports Server (NTRS)

Acquista, C.; Holland, A. C.

1980-01-01

The roles of the extinction theorem and energy conservation in obtaining the scattering and absorption cross sections for several light scattering approximations are explored. It is shown that the Rayleigh, Rayleigh-Gans, anomalous diffraction, geometrical optics, and Shifrin approximations all lead to reasonable values of the cross sections, while the modified Mie approximation does not. Further examination of the modified Mie approximation for the ensembles of nonspherical particles reveals additional problems with that method.

Hybridized Multiscale Discontinuous Galerkin Methods for Multiphysics

DTIC Science & Technology

2015-09-14

discontinuous Galerkin method for the numerical solution of the Helmholtz equation , J. Comp. Phys., 290, 318–335, 2015. [14] N.C. NGUYEN, J. PERAIRE...approximations of the Helmholtz equation for a very wide range of wave frequencies. Our approach combines the hybridizable discontinuous Galerkin methodology...local approximation spaces of the hybridizable discontinuous Galerkin methods with precomputed phases which are solutions of the eikonal equation in

Reliability of the Parabola Approximation Method in Heart Rate Variability Analysis Using Low-Sampling-Rate Photoplethysmography.

PubMed

Baek, Hyun Jae; Shin, JaeWook; Jin, Gunwoo; Cho, Jaegeol

2017-10-24

Photoplethysmographic signals are useful for heart rate variability analysis in practical ambulatory applications. While reducing the sampling rate of signals is an important consideration for modern wearable devices that enable 24/7 continuous monitoring, there have not been many studies that have investigated how to compensate the low timing resolution of low-sampling-rate signals for accurate heart rate variability analysis. In this study, we utilized the parabola approximation method and measured it against the conventional cubic spline interpolation method for the time, frequency, and nonlinear domain variables of heart rate variability. For each parameter, the intra-class correlation, standard error of measurement, Bland-Altman 95% limits of agreement and root mean squared relative error were presented. Also, elapsed time taken to compute each interpolation algorithm was investigated. The results indicated that parabola approximation is a simple, fast, and accurate algorithm-based method for compensating the low timing resolution of pulse beat intervals. In addition, the method showed comparable performance with the conventional cubic spline interpolation method. Even though the absolute value of the heart rate variability variables calculated using a signal sampled at 20 Hz were not exactly matched with those calculated using a reference signal sampled at 250 Hz, the parabola approximation method remains a good interpolation method for assessing trends in HRV measurements for low-power wearable applications.

A study on Marangoni convection by the variational iteration method

NASA Astrophysics Data System (ADS)

Karaoǧlu, Onur; Oturanç, Galip

2012-09-01

In this paper, we will consider the use of the variational iteration method and Padé approximant for finding approximate solutions for a Marangoni convection induced flow over a free surface due to an imposed temperature gradient. The solutions are compared with the numerical (fourth-order Runge Kutta) solutions.

Using the Pearson Distribution for Synthesis of the Suboptimal Algorithms for Filtering Multi-Dimensional Markov Processes

NASA Astrophysics Data System (ADS)

Mit'kin, A. S.; Pogorelov, V. A.; Chub, E. G.

2015-08-01

We consider the method of constructing the suboptimal filter on the basis of approximating the a posteriori probability density of the multidimensional Markov process by the Pearson distributions. The proposed method can efficiently be used for approximating asymmetric, excessive, and finite densities.

Representation of the exact relativistic electronic Hamiltonian within the regular approximation

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2003-12-01

The exact relativistic Hamiltonian for electronic states is expanded in terms of energy-independent linear operators within the regular approximation. An effective relativistic Hamiltonian has been obtained, which yields in lowest order directly the infinite-order regular approximation (IORA) rather than the zeroth-order regular approximation method. Further perturbational expansion of the exact relativistic electronic energy utilizing the effective Hamiltonian leads to new methods based on ordinary (IORAn) or double [IORAn(2)] perturbation theory (n: order of expansion), which provide improved energies in atomic calculations. Energies calculated with IORA4 and IORA3(2) are accurate up to c-20. Furthermore, IORA is improved by using the IORA wave function to calculate the Rayleigh quotient, which, if minimized, leads to the exact relativistic energy. The outstanding performance of this new IORA method coined scaled IORA is documented in atomic and molecular calculations.

Comparison of two methods of numerical tracking of the soil contamination dynamics during a leak from a pipeline

NASA Astrophysics Data System (ADS)

Kosterina, E. A.

2018-01-01

The situation of leakage of a polluting liquid from a longitudinal crack of the pipeline lying on the ground surface is considered. The two-dimensional nonstationary mathematical model is based on the mass balance equation in terms of pressure, which is satisfied in a domain with an unknown moving boundary. This area corresponds to the area of contaminated zone. A function characterizing the region of action of the equation is introduced, which makes it possible to obtain the formulation of the problem in a fixed domain. Two types of finite-difference approximation of the problem statement are proposed. They differ by approximation of the convective term. Counter-current approximation and approximation along characteristics are used. The results of computational experiments, which are in favor of using the method of characteristics, are presented. The methods application is illustrated by an example of spread of oil pollution.

Global collocation methods for approximation and the solution of partial differential equations

NASA Technical Reports Server (NTRS)

Solomonoff, A.; Turkel, E.

1986-01-01

Polynomial interpolation methods are applied both to the approximation of functions and to the numerical solutions of hyperbolic and elliptic partial differential equations. The derivative matrix for a general sequence of the collocation points is constructed. The approximate derivative is then found by a matrix times vector multiply. The effects of several factors on the performance of these methods including the effect of different collocation points are then explored. The resolution of the schemes for both smooth functions and functions with steep gradients or discontinuities in some derivative are also studied. The accuracy when the gradients occur both near the center of the region and in the vicinity of the boundary is investigated. The importance of the aliasing limit on the resolution of the approximation is investigated in detail. Also examined is the effect of boundary treatment on the stability and accuracy of the scheme.

Computation of Relative Magnetic Helicity in Spherical Coordinates

NASA Astrophysics Data System (ADS)

Moraitis, Kostas; Pariat, Étienne; Savcheva, Antonia; Valori, Gherardo

2018-06-01

Magnetic helicity is a quantity of great importance in solar studies because it is conserved in ideal magnetohydrodynamics. While many methods for computing magnetic helicity in Cartesian finite volumes exist, in spherical coordinates, the natural coordinate system for solar applications, helicity is only treated approximately. We present here a method for properly computing the relative magnetic helicity in spherical geometry. The volumes considered are finite, of shell or wedge shape, and the three-dimensional magnetic field is considered to be fully known throughout the studied domain. Testing of the method with well-known, semi-analytic, force-free magnetic-field models reveals that it has excellent accuracy. Further application to a set of nonlinear force-free reconstructions of the magnetic field of solar active regions and comparison with an approximate method used in the past indicates that the proposed method can be significantly more accurate, thus making our method a promising tool in helicity studies that employ spherical geometry. Additionally, we determine and discuss the applicability range of the approximate method.

The NonConforming Virtual Element Method for the Stokes Equations

DOE PAGES

Cangiani, Andrea; Gyrya, Vitaliy; Manzini, Gianmarco

2016-01-01

In this paper, we present the nonconforming virtual element method (VEM) for the numerical approximation of velocity and pressure in the steady Stokes problem. The pressure is approximated using discontinuous piecewise polynomials, while each component of the velocity is approximated using the nonconforming virtual element space. On each mesh element the local virtual space contains the space of polynomials of up to a given degree, plus suitable nonpolynomial functions. The virtual element functions are implicitly defined as the solution of local Poisson problems with polynomial Neumann boundary conditions. As typical in VEM approaches, the explicit evaluation of the non-polynomial functionsmore » is not required. This approach makes it possible to construct nonconforming (virtual) spaces for any polynomial degree regardless of the parity, for two- and three-dimensional problems, and for meshes with very general polygonal and polyhedral elements. We show that the nonconforming VEM is inf-sup stable and establish optimal a priori error estimates for the velocity and pressure approximations. Finally, numerical examples confirm the convergence analysis and the effectiveness of the method in providing high-order accurate approximations.« less

A Comparison of Approximation Modeling Techniques: Polynomial Versus Interpolating Models

NASA Technical Reports Server (NTRS)

Giunta, Anthony A.; Watson, Layne T.

1998-01-01

Two methods of creating approximation models are compared through the calculation of the modeling accuracy on test problems involving one, five, and ten independent variables. Here, the test problems are representative of the modeling challenges typically encountered in realistic engineering optimization problems. The first approximation model is a quadratic polynomial created using the method of least squares. This type of polynomial model has seen considerable use in recent engineering optimization studies due to its computational simplicity and ease of use. However, quadratic polynomial models may be of limited accuracy when the response data to be modeled have multiple local extrema. The second approximation model employs an interpolation scheme known as kriging developed in the fields of spatial statistics and geostatistics. This class of interpolating model has the flexibility to model response data with multiple local extrema. However, this flexibility is obtained at an increase in computational expense and a decrease in ease of use. The intent of this study is to provide an initial exploration of the accuracy and modeling capabilities of these two approximation methods.

Approximation concepts for efficient structural synthesis

NASA Technical Reports Server (NTRS)

Schmit, L. A., Jr.; Miura, H.

1976-01-01

It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

Integral approximations to classical diffusion and smoothed particle hydrodynamics

DOE PAGES

Du, Qiang; Lehoucq, R. B.; Tartakovsky, A. M.

2014-12-31

The contribution of the paper is the approximation of a classical diffusion operator by an integral equation with a volume constraint. A particular focus is on classical diffusion problems associated with Neumann boundary conditions. By exploiting this approximation, we can also approximate other quantities such as the flux out of a domain. Our analysis of the model equation on the continuum level is closely related to the recent work on nonlocal diffusion and peridynamic mechanics. In particular, we elucidate the role of a volumetric constraint as an approximation to a classical Neumann boundary condition in the presence of physical boundary.more » The volume-constrained integral equation then provides the basis for accurate and robust discretization methods. As a result, an immediate application is to the understanding and improvement of the Smoothed Particle Hydrodynamics (SPH) method.« less

Approximation methods in gravitational-radiation theory

NASA Technical Reports Server (NTRS)

Will, C. M.

1986-01-01

The observation of gravitational-radiation damping in the binary pulsar PSR 1913 + 16 and the ongoing experimental search for gravitational waves of extraterrestrial origin have made the theory of gravitational radiation an active branch of classical general relativity. In calculations of gravitational radiation, approximation methods play a crucial role. Recent developments are summarized in two areas in which approximations are important: (a) the quadrupole approxiamtion, which determines the energy flux and the radiation reaction forces in weak-field, slow-motion, source-within-the-near-zone systems such as the binary pulsar; and (b) the normal modes of oscillation of black holes, where the Wentzel-Kramers-Brillouin approximation gives accurate estimates of the complex frequencies of the modes.

Heats of Segregation of BCC Binaries from ab Initio and Quantum Approximate Calculations

NASA Technical Reports Server (NTRS)

Good, Brian S.

2004-01-01

We compare dilute-limit heats of segregation for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent LMTO-based parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation, while the ab initio calculations are performed without relaxation. Results are discussed within the context of a segregation model driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Automatic Aircraft Collision Avoidance System and Method

NASA Technical Reports Server (NTRS)

Skoog, Mark (Inventor); Hook, Loyd (Inventor); McWherter, Shaun (Inventor); Willhite, Jaimie (Inventor)

2014-01-01

The invention is a system and method of compressing a DTM to be used in an Auto-GCAS system using a semi-regular geometric compression algorithm. In general, the invention operates by first selecting the boundaries of the three dimensional map to be compressed and dividing the three dimensional map data into regular areas. Next, a type of free-edged, flat geometric surface is selected which will be used to approximate terrain data of the three dimensional map data. The flat geometric surface is used to approximate terrain data for each regular area. The approximations are checked to determine if they fall within selected tolerances. If the approximation for a specific regular area is within specified tolerance, the data is saved for that specific regular area. If the approximation for a specific area falls outside the specified tolerances, the regular area is divided and a flat geometric surface approximation is made for each of the divided areas. This process is recursively repeated until all of the regular areas are approximated by flat geometric surfaces. Finally, the compressed three dimensional map data is provided to the automatic ground collision system for an aircraft.

From free energy to expected energy: Improving energy-based value function approximation in reinforcement learning.

PubMed

Elfwing, Stefan; Uchibe, Eiji; Doya, Kenji

2016-12-01

Free-energy based reinforcement learning (FERL) was proposed for learning in high-dimensional state and action spaces. However, the FERL method does only really work well with binary, or close to binary, state input, where the number of active states is fewer than the number of non-active states. In the FERL method, the value function is approximated by the negative free energy of a restricted Boltzmann machine (RBM). In our earlier study, we demonstrated that the performance and the robustness of the FERL method can be improved by scaling the free energy by a constant that is related to the size of network. In this study, we propose that RBM function approximation can be further improved by approximating the value function by the negative expected energy (EERL), instead of the negative free energy, as well as being able to handle continuous state input. We validate our proposed method by demonstrating that EERL: (1) outperforms FERL, as well as standard neural network and linear function approximation, for three versions of a gridworld task with high-dimensional image state input; (2) achieves new state-of-the-art results in stochastic SZ-Tetris in both model-free and model-based learning settings; and (3) significantly outperforms FERL and standard neural network function approximation for a robot navigation task with raw and noisy RGB images as state input and a large number of actions. Copyright © 2016 The Author(s). Published by Elsevier Ltd.. All rights reserved.

A fast algorithm for determining bounds and accurate approximate p-values of the rank product statistic for replicate experiments.

PubMed

Heskes, Tom; Eisinga, Rob; Breitling, Rainer

2014-11-21

The rank product method is a powerful statistical technique for identifying differentially expressed molecules in replicated experiments. A critical issue in molecule selection is accurate calculation of the p-value of the rank product statistic to adequately address multiple testing. Both exact calculation and permutation and gamma approximations have been proposed to determine molecule-level significance. These current approaches have serious drawbacks as they are either computationally burdensome or provide inaccurate estimates in the tail of the p-value distribution. We derive strict lower and upper bounds to the exact p-value along with an accurate approximation that can be used to assess the significance of the rank product statistic in a computationally fast manner. The bounds and the proposed approximation are shown to provide far better accuracy over existing approximate methods in determining tail probabilities, with the slightly conservative upper bound protecting against false positives. We illustrate the proposed method in the context of a recently published analysis on transcriptomic profiling performed in blood. We provide a method to determine upper bounds and accurate approximate p-values of the rank product statistic. The proposed algorithm provides an order of magnitude increase in throughput as compared with current approaches and offers the opportunity to explore new application domains with even larger multiple testing issue. The R code is published in one of the Additional files and is available at http://www.ru.nl/publish/pages/726696/rankprodbounds.zip .

Theoretical investigation of resonant frequencies of unstrapped magnetron with arbitrary side resonators

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

Yue, Song, E-mail: yuessd@163.com; University of Chinese Academy of Sciences, Beijing 100049; Zhang, Zhao-chuan

In this paper, a sector steps approximation method is proposed to investigate the resonant frequencies of magnetrons with arbitrary side resonators. The arbitrary side resonator is substituted with a series of sector steps, in which the spatial harmonics of electromagnetic field are also considered. By using the method of admittance matching between adjacent steps, as well as field continuity conditions between side resonators and interaction regions, the dispersion equation of magnetron with arbitrary side resonators is derived. Resonant frequencies of magnetrons with five common kinds of side resonators are calculated with sector steps approximation method and computer simulation softwares, inmore » which the results have a good agreement. The relative error is less than 2%, which verifies the validity of sector steps approximation method.« less

Digital Radiography Using Digital Detector Arrays Fulfills Critical Applications for Offshore Pipelines

NASA Astrophysics Data System (ADS)

Moreira, EdsonVasques; Barbosa Rabello, JoséMaurício; Pereira, MarcelodosSantos; Lopes, RicardoTadeu; Zscherpel, Uwe

2010-12-01

Digital radiography in the inspection of welded pipes to be installed under deep water offshore gas and oil pipelines, like a presalt in Brazil, in the paper has been investigated. The aim is to use digital radiography for nondestructive testing of welds as it is already in use in the medical, aerospace, security, automotive, and petrochemical sectors. Among the current options, the DDA (Digital Detector Array) is considered as one of the best solutions to replace industrial films, as well as to increase the sensitivity to reduce the inspection cycle time. This paper shows the results of this new technique, comparing it to radiography with industrial films systems. In this paper, 20 test specimens of longitudinal welded pipe joints, specially prepared with artificial defects like cracks, lack of fusion, lack of penetration, and porosities and slag inclusions with varying dimensions and in 06 different base metal wall thicknesses, were tested and a comparison of the techniques was made. These experiments verified the purposed rules for parameter definitions and selections to control the required digital radiographic image quality as described in the draft international standard ISO/DIS 10893-7. This draft is first standard establishing the parameters for digital radiography on weld seam of welded steel pipes for pressure purposes to be used on gas and oil pipelines.

Using reporter gene assays to identify cis regulatory differences between humans and chimpanzees.

PubMed

Chabot, Adrien; Shrit, Ralla A; Blekhman, Ran; Gilad, Yoav

2007-08-01

Most phenotypic differences between human and chimpanzee are likely to result from differences in gene regulation, rather than changes to protein-coding regions. To date, however, only a handful of human-chimpanzee nucleotide differences leading to changes in gene regulation have been identified. To hone in on differences in regulatory elements between human and chimpanzee, we focused on 10 genes that were previously found to be differentially expressed between the two species. We then designed reporter gene assays for the putative human and chimpanzee promoters of the 10 genes. Of seven promoters that we found to be active in human liver cell lines, human and chimpanzee promoters had significantly different activity in four cases, three of which recapitulated the gene expression difference seen in the microarray experiment. For these three genes, we were therefore able to demonstrate that a change in cis influences expression differences between humans and chimpanzees. Moreover, using site-directed mutagenesis on one construct, the promoter for the DDA3 gene, we were able to identify three nucleotides that together lead to a cis regulatory difference between the species. High-throughput application of this approach can provide a map of regulatory element differences between humans and our close evolutionary relatives.

Sequence-Selective Formation of Synthetic H-Bonded Duplexes

PubMed Central

2017-01-01

Oligomers equipped with a sequence of phenol and pyridine N-oxide groups form duplexes via H-bonding interactions between these recognition units. Reductive amination chemistry was used to synthesize all possible 3-mer sequences: AAA, AAD, ADA, DAA, ADD, DAD, DDA, and DDD. Pairwise interactions between the oligomers were investigated using NMR titration and dilution experiments in toluene. The measured association constants vary by 3 orders of magnitude (102 to 105 M–1). Antiparallel sequence-complementary oligomers generally form more stable complexes than mismatched duplexes. Mismatched duplexes that have an excess of H-bond donors are stabilized by the interaction of two phenol donors with one pyridine N-oxide acceptor. Oligomers that have a H-bond donor and acceptor on the ends of the chain can fold to form intramolecular H-bonds in the free state. The 1,3-folding equilibrium competes with duplex formation and lowers the stability of duplexes involving these sequences. As a result, some of the mismatch duplexes are more stable than some of the sequence-complementary duplexes. However, the most stable mismatch duplexes contain DDD and compete with the most stable sequence-complementary duplex, AAA·DDD, so in mixtures that contain all eight sequences, sequence-complementary duplexes dominate. Even higher fidelity sequence selectivity can be achieved if alternating donor–acceptor sequences are avoided. PMID:28857551

Fundamental frequency perturbation indicates perceived health and age in male and female speakers

NASA Astrophysics Data System (ADS)

Feinberg, David R.

2004-05-01

There is strong support for the idea that healthy vocal chords are able to produce fundamental frequencies (F0) with minimal perturbation. Measures of F0 perturbation have been shown to discriminate pathological versus healthy populations. In addition to measuring vocal chord health, F0 perturbation is a correlate of real and perceived age. Here, the role of jitter (periodic variation in F0) and shimmer (periodic variation in amplitude of F0) in perceived health and age in a young adult (males aged 18-33, females aged 18-26), nondysphonic population was investigated. Voices were assessed for health and age by peer aged, opposite-sex raters. Jitter and shimmer were measured with Praat software (www.praat.org) using various algorithms (jitter: DDP, local, local absolute, PPQ5, and RAP; shimmer: DDA, local, local absolute, APQ3, APQ5, APQ11) to reduce measurement error, and to ascertain the robustness of the findings. Male and female voices were analyzed separately. In both sexes, ratings of health and age were significantly correlated. Measures of jitter and shimmer correlated negatively with perceived health, and positively with perceived age. Further analysis revealed that these effects were independent in male voices. Implications of this finding are that attributions of vocal health and age may reflect actual underlying condition.

Antibacterial properties of chitosan-based coatings are affected by spacer-length and molecular weight

NASA Astrophysics Data System (ADS)

Vaz, Juliana M.; Taketa, Thiago B.; Hernandez-Montelongo, Jacobo; Chevallier, Pascale; Cotta, Monica A.; Mantovani, Diego; Beppu, Marisa M.

2018-07-01

Chitosan is a biopolymer with antibacterial properties, which are dependent on its molecular weight (Mw) and its degree of deacetylation (DDA). When grafted on surfaces as a coating, chitosan antibacterial efficiency is also dependent on the polymer chain conformation on the surface, as the amine groups, responsible of the antibacterial effect, should be available for contact with bacteria. To investigate this behavior, chitosans with different Mw were grafted onto plasma aminated surfaces through three different spacers: glutaric anhydride (GA), poly(ethylene-glycol) bis(carboxymethyl) ether (PEGb), and poly(ethylene-alt-maleic anhydride) (PA). The grafting efficiency was evaluated by X-ray Photoelectron Spectroscopy (XPS), contact angle and Rose Bengal test, while morphological features were assessed by profilometry analyses. Results evidenced a clear influence of the anchor arm length and of the Mw of chitosan both on the grafting efficiency and on the antibacterial behavior. PA CHIMW surface exhibited a better antibacterial response compared to GA and PEGb, which could be correlated to a denser coating coverage as seen by XPS and profilometry results. Further, PA CHIMW coating displayed a higher amine density, thus promoting the interaction with the bacteria cell wall. Based on these results, chitosan-based coatings can then be extended to a wide range of antibacterial applications.

Precision of Sensitivity in the Design Optimization of Indeterminate Structures

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Pai, Shantaram S.; Hopkins, Dale A.

2006-01-01

Design sensitivity is central to most optimization methods. The analytical sensitivity expression for an indeterminate structural design optimization problem can be factored into a simple determinate term and a complicated indeterminate component. Sensitivity can be approximated by retaining only the determinate term and setting the indeterminate factor to zero. The optimum solution is reached with the approximate sensitivity. The central processing unit (CPU) time to solution is substantially reduced. The benefit that accrues from using the approximate sensitivity is quantified by solving a set of problems in a controlled environment. Each problem is solved twice: first using the closed-form sensitivity expression, then using the approximation. The problem solutions use the CometBoards testbed as the optimization tool with the integrated force method as the analyzer. The modification that may be required, to use the stiffener method as the analysis tool in optimization, is discussed. The design optimization problem of an indeterminate structure contains many dependent constraints because of the implicit relationship between stresses, as well as the relationship between the stresses and displacements. The design optimization process can become problematic because the implicit relationship reduces the rank of the sensitivity matrix. The proposed approximation restores the full rank and enhances the robustness of the design optimization method.