Cloverleaf microgyroscope with electrostatic alignment and tuning

NASA Technical Reports Server (NTRS)

Challoner, A. Dorian (Inventor); Gutierrez, Roman C. (Inventor); Tang, Tony K. (Inventor)

2007-01-01

A micro-gyroscope (10) having closed loop output operation by a control voltage (V.sub.ty), that is demodulated by a drive axis (x-axis) signal V.sub.thx of the sense electrodes (S1, S2), providing Coriolis torque rebalance to prevent displacement of the micro-gyroscope (10) on the output axis (y-axis) V.sub.thy.about.0. Closed loop drive axis torque, V.sub.tx maintains a constant drive axis amplitude signal, V.sub.thx. The present invention provides independent alignment and tuning of the micro-gyroscope by using separate electrodes and electrostatic bias voltages to adjust alignment and tuning. A quadrature amplitude signal, or cross-axis transfer function peak amplitude is used to detect misalignment that is corrected to zero by an electrostatic bias voltage adjustment. The cross-axis transfer function is either V.sub.thy/V.sub.ty or V.sub.tnx/V.sub.tx. A quadrature signal noise level, or difference in natural frequencies estimated from measurements of the transfer functions is used to detect residual mistuning, that is corrected to zero by a second electrostatic bias voltage adjustment.

Photorefractive keratectomy at 193 nm using an erodible mask

NASA Astrophysics Data System (ADS)

Gordon, Michael; Brint, Stephen F.; Durrie, Daniel S.; Seiler, Theo; Friedman, Marc D.; Johnsson, N. M. F.; King, Michael C.; Muller, David F.

1992-08-01

Clinical experience with more than ten thousand sighted eyes has demonstrated great promise for correcting myopia with photorefractive keratectomy (PRK). Previously reported techniques have incorporated computer-controlled irises, diaphragms, and apertures to regulate the desired distribution of 193 nm radiation onto the eye. This paper reports on an entirely new approach for performing PRK which utilizes an erodible mask to control the shape transfer process. Compared to the more traditional techniques, the erodible mask offers promise of correcting a broad range of refractive errors. In this paper the erodible mask and associated hardware are described in detail. We describe the shape transfer experiments used to predict the functional relationship between the desired refractive correction and the mask shape. We report on early clinical results from five patients with myopic astigmatism. We conclude that the early shape transfer experiments overestimated the spherical component of the correction by 1.25 diopters and underestimated the cylindrical component by approximately 0.85 diopters. The data suggest there may be biological effects which evoke different healing responses when myopic PRK corrections are performed with and without astigmatism. Clinical trials are proceeding with the mask shapes adjusted for these observations.

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

PubMed

Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

2016-02-04

A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

Total Transfer Capability Assessment Incorporating Corrective Controls for Transient Stability using TSCOPF

NASA Astrophysics Data System (ADS)

Hakim, Lukmanul; Kubokawa, Junji; Yorino, Naoto; Zoka, Yoshifumi; Sasaki, Yutaka

Advancements have been made towards inclusion of both static and dynamic security into transfer capability calculation. However, to the authors' knowledge, work on considering corrective controls into the calculation has not been reported yet. Therefore, we propose a Total Transfer Capability (TTC) assessment considering transient stability corrective controls. The method is based on the Newton interior point method for nonlinear programming and transfer capability is approached as a maximization of power transfer with both static and transient stability constraints are incorporated into our Transient Stability Constrained Optimal Power Flow (TSCOPF) formulation. An interconnected power system is simulated to be subjected to a severe unbalanced 3-phase 4-line to ground fault and following the fault, generator and load are shed in a pre-defined sequence to mimic actual corrective controls. In a deregulated electricity market, both generator companies and large load customers are encouraged to actively participate in maintaining power system stability as corrective controls upon agreement of compensation for being shed following a disturbance. Implementation of this proposal on the actual power system operation should be carried out through combining it with the existing transient stabilization controller system. Utilization of these corrective controls results in increasing TTC as suggested in our numerical simulation. As Lagrange multipliers can also describe sensitivity of both inequality and equality constraints to the objective function, then selection of which generator or load to be shed can be carried out on the basis of values of Lagrange multipliers of its respective generator's rotor angle stability and active power balance equation. Hence, the proposal in this paper can be utilized by system operator to assess the maximum TTC for specific loads and network conditions.

Effect of aberrations in human eye on contrast sensitivity function

NASA Astrophysics Data System (ADS)

Quan, Wei; Wang, Feng-lin; Wang, Zhao-qi

2011-06-01

The quantitative analysis of the effect of aberrations in human eye on vision has important clinical value in the correction of aberrations. The wave-front aberrations of human eyes were measured with the Hartmann-Shack wave-front sensor and modulation transfer function (MTF) was computed from the wave-front aberrations. Contrast sensitivity function (CSF) was obtained from MTF and the retinal aerial image modulation (AIM). It is shown that the 2nd, 3rd, 4th, 5th, 6th Zernike aberrations deteriorate contrast sensitivity function. When the 2nd, 3rd, 4th, 5th, 6th Zernike aberrations are corrected high contrast sensitivity function can be obtained.

Van der Waals corrected DFT study of adsorption of groups VA and VIA hydrides on graphene monoxide

NASA Astrophysics Data System (ADS)

Notash, M. Yaghoobi; Ebrahimzadeh, A. Rastkar

2016-06-01

Adsorption properties of H2O, H2S, NH3 and PH3 on graphene monoxide (GMO) nano flack are investigated using density functional theory (DFT). Calculations were carried out by van der Waals correction and general gradient approximation. The adsorption energies and charge transfer between species are obtained and discussed for the considered positions of adsorbate molecules. Charge transfer analysis show that the gas molecules act as an electron acceptor in all cases. The analysis of the adsorption energies suggest GMO can be a good candidate for the adsorption of these molecules.

Correcting the vertical component of ocean bottom seismometers for the effects of tilt and compliance

NASA Astrophysics Data System (ADS)

Bell, S. W.; Forsyth, D. W.

2013-12-01

Typically there are very high noise levels at long periods on the horizontal components of ocean bottom seismographs due to the turbulent interaction of bottom currents with the seismometer package on the seafloor. When there is a slight tilt of the instrument, some of the horizontal displacement caused by bottom currents leaks onto the vertical component record, which can severely increase the apparent vertical noise. Another major type of noise, compliance noise, is created when pressure variations associated with water (gravity) waves deform the seabed. Compliance noise increases with decreasing water depth, and at water depths of less than a few hundred meters, compliance noise typically obscures most earthquake signals. Following Crawford and Webb (2000), we have developed a methodology for reducing these noise sources by 1-2 orders of magnitude, revealing many events that could not be distinguished before noise reduction. Our methodology relies on transfer functions between different channels. We calculate the compliance noise in the vertical displacement record by applying a transfer function to the differential pressure gauge record. Similarly, we calculate the tilt-induced bottom current noise in the vertical displacement record by applying a transfer function to the horizontal displacement records. Using data from the Cascadia experiment and other experiments, we calculate these transfer functions at a range of stations with varying tilts and water depths. The compliance noise transfer function depends strongly on water depth, and we provide a theoretical and empirical description of this dependence. Tilt noise appears to be very highly correlated with instrument design, with negligible tilt noise observed for the 'abalone' instruments from the Scripps Institute of Oceanography and significant tilt observed for the Woods Hole Oceanographic Institution instruments in the first year deployment of the Cascadia experiment. Tilt orientation appears relatively constant, but we observe significant day-to-day variation in tilt angle, requiring the calculation of a tilt transfer function for each individual day for optimum removal of bottom current noise. In removing the compliance noise, there is some distortion of the signal. We show how to correct for this distortion using theoretical and empirical transfer functions between pressure and displacement records for seismic signals.

Correcting bulk in-plane motion artifacts in MRI using the point spread function.

PubMed

Lin, Wei; Wehrli, Felix W; Song, Hee Kwon

2005-09-01

A technique is proposed for correcting both translational and rotational motion artifacts in magnetic resonance imaging without the need to collect additional navigator data or to perform intensive postprocessing. The method is based on measuring the point spread function (PSF) by attaching one or two point-sized markers to the main imaging object. Following the isolation of a PSF marker from the acquired image, translational motion could be corrected directly from the modulation transfer function, without the need to determine the object's positions during the scan, although the shifts could be extracted if desired. Rotation is detected by analyzing the relative displacements of two such markers. The technique was evaluated with simulations, phantom and in vivo experiments.

Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration.

PubMed

Soniat, Marielle; Rogers, David M; Rempe, Susan B

2015-07-14

A challenge in density functional theory is developing functionals that simultaneously describe intermolecular electron correlation and electron delocalization. Recent exchange-correlation functionals address those two issues by adding corrections important at long ranges: an atom-centered pairwise dispersion term to account for correlation and a modified long-range component of the electron exchange term to correct for delocalization. Here we investigate how those corrections influence the accuracy of binding free energy predictions for sodium-water clusters. We find that the dual-corrected ωB97X-D functional gives cluster binding energies closest to high-level ab initio methods (CCSD(T)). Binding energy decomposition shows that the ωB97X-D functional predicts the smallest ion-water (pairwise) interaction energy and larger multibody contributions for a four-water cluster than most other functionals - a trend consistent with CCSD(T) results. Also, ωB97X-D produces the smallest amounts of charge transfer and the least polarizable waters of the density functionals studied, which mimics the lower polarizability of CCSD. When compared with experimental binding free energies, however, the exchange-corrected CAM-B3LYP functional performs best (error <1 kcal/mol), possibly because of its parametrization to experimental formation enthalpies. For clusters containing more than four waters, "split-shell" coordination must be considered to obtain accurate free energies in comparison with experiment.

Valence and charge-transfer optical properties for some SinCm (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy

NASA Astrophysics Data System (ADS)

Lutz, Jesse J.; Duan, Xiaofeng F.; Ranasinghe, Duminda S.; Jin, Yifan; Margraf, Johannes T.; Perera, Ajith; Burggraf, Larry W.; Bartlett, Rodney J.

2018-05-01

Accurate optical characterization of the closo-Si12C12 molecule is important to guide experimental efforts toward the synthesis of nano-wires, cyclic nano-arrays, and related array structures, which are anticipated to be robust and efficient exciton materials for opto-electronic devices. Working toward calibrated methods for the description of closo-Si12C12 oligomers, various electronic structure approaches are evaluated for their ability to reproduce measured optical transitions of the SiC2, Si2Cn (n = 1-3), and Si3Cn (n = 1, 2) clusters reported earlier by Steglich and Maier [Astrophys. J. 801, 119 (2015)]. Complete-basis-limit equation-of-motion coupled-cluster (EOMCC) results are presented and a comparison is made between perturbative and renormalized non-iterative triples corrections. The effect of adding a renormalized correction for quadruples is also tested. Benchmark test sets derived from both measurement and high-level EOMCC calculations are then used to evaluate the performance of a variety of density functionals within the time-dependent density functional theory (TD-DFT) framework. The best-performing functionals are subsequently applied to predict valence TD-DFT excitation energies for the lowest-energy isomers of SinC and Sin-1C7-n (n = 4-6). TD-DFT approaches are then applied to the SinCn (n = 4-12) clusters and unique spectroscopic signatures of closo-Si12C12 are discussed. Finally, various long-range corrected density functionals, including those from the CAM-QTP family, are applied to a charge-transfer excitation in a cyclic (Si4C4)4 oligomer. Approaches for gauging the extent of charge-transfer character are also tested and EOMCC results are used to benchmark functionals and make recommendations.

Variationally consistent approximation scheme for charge transfer

NASA Technical Reports Server (NTRS)

Halpern, A. M.

1978-01-01

The author has developed a technique for testing various charge-transfer approximation schemes for consistency with the requirements of the Kohn variational principle for the amplitude to guarantee that the amplitude is correct to second order in the scattering wave functions. Applied to Born-type approximations for charge transfer it allows the selection of particular groups of first-, second-, and higher-Born-type terms that obey the consistency requirement, and hence yield more reliable approximation to the amplitude.

Coarse-grained modeling of polyethylene melts: Effect on dynamics

DOE PAGES

Peters, Brandon L.; Salerno, K. Michael; Agrawal, Anupriya; ...

2017-05-23

The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with three to six methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully atomistic melt simulations and the transferability of CG potentials across temperatures. While IBI produces nonbonded pair potentials thatmore » give excellent agreement between the atomistic and CG pair correlation functions, the resulting pressure for the CG models is large compared with the pressure of the atomistic system. We find that correcting the potential to match the reference pressure leads to nonbonded interactions with much deeper minima and slightly smaller effective bead diameter. However, simulations with potentials generated by IBI and pressure-corrected IBI result in similar mean-square displacements (MSDs) and stress autocorrelation functions G( t) for PE melts. While the time rescaling factor required to match CG and atomistic models is the same for pressure- and non-pressure-corrected CG models, it strongly depends on temperature. Furthermore, transferability was investigated by comparing the MSDs and stress autocorrelation functions for potentials developed at different temperatures.« less

Coarse-grained modeling of polyethylene melts: Effect on dynamics

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

Peters, Brandon L.; Salerno, K. Michael; Agrawal, Anupriya

The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with three to six methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully atomistic melt simulations and the transferability of CG potentials across temperatures. While IBI produces nonbonded pair potentials thatmore » give excellent agreement between the atomistic and CG pair correlation functions, the resulting pressure for the CG models is large compared with the pressure of the atomistic system. We find that correcting the potential to match the reference pressure leads to nonbonded interactions with much deeper minima and slightly smaller effective bead diameter. However, simulations with potentials generated by IBI and pressure-corrected IBI result in similar mean-square displacements (MSDs) and stress autocorrelation functions G( t) for PE melts. While the time rescaling factor required to match CG and atomistic models is the same for pressure- and non-pressure-corrected CG models, it strongly depends on temperature. Furthermore, transferability was investigated by comparing the MSDs and stress autocorrelation functions for potentials developed at different temperatures.« less

Rational functional representation of flap noise spectra including correction for reflection effects

NASA Technical Reports Server (NTRS)

Miles, J. H.

1974-01-01

A rational function is presented for the acoustic spectra generated by deflection of engine exhaust jets for under-the-wing and over-the-wing versions of externally blown flaps. The functional representation is intended to provide a means for compact storage of data and for data analysis. The expressions are based on Fourier transform functions for the Strouhal normalized pressure spectral density, and on a correction for reflection effects based on Thomas' (1969) N-independent-source model extended by use of a reflected ray transfer function. Curve fit comparisons are presented for blown-flap data taken from turbofan engine tests and from large-scale cold-flow model tests. Application of the rational function to scrubbing noise theory is also indicated.

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

PubMed

Tam, W G; Zardecki, A

1982-07-01

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

[Lesser toe deformities. Definition, pathogenesis, and options for surgical correction].

PubMed

Arnold, H

2005-08-01

Whereas in the past resection arthroplasty was - in analogy to hallux valgus surgery - the preferred therapy to correct lesser toe deformities, the point of view has undergone a change. Much interest is directed toward functional aspects that require reconstructive management. Whenever possible the integrity of joint play should be saved. Above all the metatarsophalangeal joint of the lesser toes is worth being preserved to prevent a severe disturbance of the biomechanics of the foot. Tendon transfers and subtle corrective osteotomies such as the Weil procedure allow restricting resection procedures to contraction deformities.

A cumulant functional for static and dynamic correlation

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

Hollett, Joshua W., E-mail: j.hollett@uwinnipeg.ca; Department of Chemistry, University of Manitoba, Winnipeg, Manitoba R3T 2N2; Hosseini, Hessam

A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H{sub 2}, LiH, and N{sub 2} with equilibrium bond lengths and dissociationmore » energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F{sub 2}, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional.« less

A quantitative structure–function relationship for the Photosystem II reaction center: Supermolecular behavior in natural photosynthesis

PubMed Central

Barter, Laura M. C.; Durrant, James R.; Klug, David R.

2003-01-01

Light-induced charge separation is the primary photochemical event of photosynthesis. Efficient charge separation in photosynthetic reaction centers requires the balancing of electron and excitation energy transfer processes, and in Photosystem II (PSII), these processes are particularly closely entangled. Calculations that treat the cofactors of the PSII reaction center as a supermolecular complex allow energy and electron transfer reactions to be described in a unified way. This calculational approach is shown to be in good agreement with experimentally observed energy and electron transfer dynamics. This supermolecular view also correctly predicts the effect of changing the redox potentials of cofactors by site-directed mutagenesis, thus providing a unified and quantitative structure–function relationship for the PSII reaction center. PMID:12538865

Theory of lidar method for measurement of the modulation transfer function of water layers.

PubMed

Dolin, Lev S

2013-01-10

We develop a method to evaluate the modulation transfer function (MTF) of a water layer from the characteristics of lidar signal backscattered by water volume. We propose several designs of a lidar system for remote measurement of the MTF and the procedure to determine optical properties of water using the measured MTF. We discuss a laser system for sea-bottom imaging that accounts for the influence of water slab on the image structure and allows for correction of image distortions caused by light scattering in water. © 2013 Optical Society of America

Valence and charge-transfer optical properties for some SinCm (m, n ≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy.

PubMed

Lutz, Jesse J; Duan, Xiaofeng F; Ranasinghe, Duminda S; Jin, Yifan; Margraf, Johannes T; Perera, Ajith; Burggraf, Larry W; Bartlett, Rodney J

2018-05-07

Accurate optical characterization of the closo-Si 12 C 12 molecule is important to guide experimental efforts toward the synthesis of nano-wires, cyclic nano-arrays, and related array structures, which are anticipated to be robust and efficient exciton materials for opto-electronic devices. Working toward calibrated methods for the description of closo-Si 12 C 12 oligomers, various electronic structure approaches are evaluated for their ability to reproduce measured optical transitions of the SiC 2 , Si 2 C n (n = 1-3), and Si 3 C n (n = 1, 2) clusters reported earlier by Steglich and Maier [Astrophys. J. 801, 119 (2015)]. Complete-basis-limit equation-of-motion coupled-cluster (EOMCC) results are presented and a comparison is made between perturbative and renormalized non-iterative triples corrections. The effect of adding a renormalized correction for quadruples is also tested. Benchmark test sets derived from both measurement and high-level EOMCC calculations are then used to evaluate the performance of a variety of density functionals within the time-dependent density functional theory (TD-DFT) framework. The best-performing functionals are subsequently applied to predict valence TD-DFT excitation energies for the lowest-energy isomers of Si n C and Si n-1 C 7-n (n = 4-6). TD-DFT approaches are then applied to the Si n C n (n = 4-12) clusters and unique spectroscopic signatures of closo-Si 12 C 12 are discussed. Finally, various long-range corrected density functionals, including those from the CAM-QTP family, are applied to a charge-transfer excitation in a cyclic (Si 4 C 4 ) 4 oligomer. Approaches for gauging the extent of charge-transfer character are also tested and EOMCC results are used to benchmark functionals and make recommendations.

Immature visual neural system in children reflected by contrast sensitivity with adaptive optics correction

PubMed Central

Liu, Rong; Zhou, Jiawei; Zhao, Haoxin; Dai, Yun; Zhang, Yudong; Tang, Yong; Zhou, Yifeng

2014-01-01

This study aimed to explore the neural development status of the visual system of children (around 8 years old) using contrast sensitivity. We achieved this by eliminating the influence of higher order aberrations (HOAs) with adaptive optics correction. We measured HOAs, modulation transfer functions (MTFs) and contrast sensitivity functions (CSFs) of six children and five adults with both corrected and uncorrected HOAs. We found that when HOAs were corrected, children and adults both showed improvements in MTF and CSF. However, the CSF of children was still lower than the adult level, indicating the difference in contrast sensitivity between groups cannot be explained by differences in optical factors. Further study showed that the difference between the groups also could not be explained by differences in non-visual factors. With these results we concluded that the neural systems underlying vision in children of around 8 years old are still immature in contrast sensitivity. PMID:24732728

Comparison of the electromagnetic responses of C 12 obtained from the Green's function Monte Carlo and spectral function approaches

DOE PAGES

Rocco, Noemi; Lovato, Alessandro; Benhar, Omar

2016-12-23

Here, the electromagnetic responses of carbon obtained from the Green's function Monte Carlo and spectral function approaches using the same dynamical input are compared in the kinematical region corresponding to momentum transfer in the range 300–570 MeV. The results of our analysis, aimed at pinning down the limits of applicability of the approximations involved in the two schemes, indicate that the factorization ansatz underlying the spectral function formalism provides remarkably accurate results down to momentum transfer as low as 300 MeV. On the other hand, it appears that at 570 MeV relativistic corrections to the electromagnetic current not included inmore » the Monte Carlo calculations may play a significant role in the transverse channel.« less

Comparison of the electromagnetic responses of C 12 obtained from the Green's function Monte Carlo and spectral function approaches

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

Rocco, Noemi; Lovato, Alessandro; Benhar, Omar

Here, the electromagnetic responses of carbon obtained from the Green's function Monte Carlo and spectral function approaches using the same dynamical input are compared in the kinematical region corresponding to momentum transfer in the range 300–570 MeV. The results of our analysis, aimed at pinning down the limits of applicability of the approximations involved in the two schemes, indicate that the factorization ansatz underlying the spectral function formalism provides remarkably accurate results down to momentum transfer as low as 300 MeV. On the other hand, it appears that at 570 MeV relativistic corrections to the electromagnetic current not included inmore » the Monte Carlo calculations may play a significant role in the transverse channel.« less

Power cepstrum technique with application to model helicopter acoustic data

NASA Technical Reports Server (NTRS)

Martin, R. M.; Burley, C. L.

1986-01-01

The application of the power cepstrum to measured helicopter-rotor acoustic data is investigated. A previously applied correction to the reconstructed spectrum is shown to be incorrect. For an exact echoed signal, the amplitude of the cepstrum echo spike at the delay time is linearly related to the echo relative amplitude in the time domain. If the measured spectrum is not entirely from the source signal, the cepstrum will not yield the desired echo characteristics and a cepstral aliasing may occur because of the effective sample rate in the frequency domain. The spectral analysis bandwidth must be less than one-half the echo ripple frequency or cepstral aliasing can occur. The power cepstrum editing technique is a useful tool for removing some of the contamination because of acoustic reflections from measured rotor acoustic spectra. The cepstrum editing yields an improved estimate of the free field spectrum, but the correction process is limited by the lack of accurate knowledge of the echo transfer function. An alternate procedure, which does not require cepstral editing, is proposed which allows the complete correction of a contaminated spectrum through use of both the transfer function and delay time of the echo process.

Rational function representation of flap noise spectra including correction for reflection effects. [acoustic properties of engine exhaust jets deflected for externally blown flaps

NASA Technical Reports Server (NTRS)

Miles, J. H.

1974-01-01

A rational function is presented for the acoustic spectra generated by deflection of engine exhaust jets for under-the-wing and over-the-wing versions of externally blown flaps. The functional representation is intended to provide a means for compact storage of data and for data analysis. The expressions are based on Fourier transform functions for the Strouhal normalized pressure spectral density, and on a correction for reflection effects based on the N-independent-source model of P. Thomas extended by use of a reflected ray transfer function. Curve fit comparisons are presented for blown flap data taken from turbofan engine tests and from large scale cold-flow model tests. Application of the rational function to scrubbing noise theory is also indicated.

Study on the key alignment technology of the catadioptric optical system

NASA Astrophysics Data System (ADS)

Song, Chong; Fu, Xing; Fu, Xi-hong; Kang, Xiao-peng; Liu, Kai

2017-02-01

Optical system alignment has a great influence on the whole system accuracy. In this paper, the processing of optical system alignment was mainly studied, the processing method of optics on the primary and secondary mirrors, front correction lens group and behind correction lens group with high precision centering lathe and internal focusing telescope. Then using the height indicator complete the system alignment of the primary mirror, secondary mirror, front correction group and behind correction group. Finally, based on the zygo interferometer detect the wavefront information. Using this alignment program for catadioptric optical system, the wavefront aberration of optical system, focal length, modulation transfer function (MTF) and other technical indicators have reached the requirements.

How Toddlers Acquire and Transfer Tool Knowledge: Developmental Changes and the Role of Executive Functions.

PubMed

Pauen, Sabina; Bechtel-Kuehne, Sabrina

2016-07-01

This report investigates tool learning and its relations to executive functions (EFs) in toddlers. In Study 1 (N = 93), 18-, 20-, 22-, and 24-month-old children learned equally well to choose a correct tool from observation, whereas performance based on feedback improved with age. Knowledge transfer showed significant progress after 22 months of age: Older children ignored irrelevant features more easily and adjusted their behavior more flexibly. Study 2 (N = 62) revealed that spontaneous transfer in 22- to 24-month-olds was related to set-shifting skills and response inhibition. Flexible adaptation to feedback correlated with working-memory capacity. These findings suggest that toddlerhood is a highly dynamic phase of tool learning and that EFs are related to transfer performance at this age. © 2016 The Authors. Child Development © 2016 Society for Research in Child Development, Inc.

A Proposed Time Transfer Experiment Between the USA and the South Pacific

DTIC Science & Technology

1991-12-01

1 nanosecond, The corrected position will be traris~nitted by both the time transfer modem and the existing TV line sync dissemination process...communications satellite (AUSSAT K1) (Figure 5), With after-the- fact ephemeris correction , this is useful to the 20 nanosecond level. The second...spheric corrections will ultimately reduce ephemeris related time transfer errors to the 1 nanosecond level. The corrected position will be transmitted

Artificial Neural Network and application in calibration transfer of AOTF-based NIR spectrometer

NASA Astrophysics Data System (ADS)

Wang, Wenbo; Jiang, Chengzhi; Xu, Kexin; Wang, Bin

2002-09-01

Chemometrics is widely applied to develop models for quantitative prediction of unknown samples in Near-infrared (NIR) spectroscopy. However, calibrated models generally fail when new instruments are introduced or replacement of the instrument parts occurs. Therefore, calibration transfer becomes necessary to avoid the costly, time-consuming recalibration of models. Piecewise Direct Standardization (PDS) has been proven to be a reference method for standardization. In this paper, Artificial Neural Network (ANN) is employed as an alternative to transfer spectra between instruments. Two Acousto-optic Tunable Filter NIR spectrometers are employed in the experiment. Spectra of glucose solution are collected on the spectrometers through transflectance mode. A Back propagation Network with two layers is employed to simulate the function between instruments piecewisely. Standardization subset is selected by Kennard and Stone (K-S) algorithm in the first two score space of Principal Component Analysis (PCA) of spectra matrix. In current experiment, it is noted that obvious nonlinearity exists between instruments and attempts are made to correct such nonlinear effect. Prediction results before and after successful calibration transfer are compared. Successful transfer can be achieved by adapting window size and training parameters. Final results reveal that ANN is effective in correcting the nonlinear instrumental difference and a only 1.5~2 times larger prediction error is expected after successful transfer.

Modeling the archetype cysteine protease reaction using dispersion corrected density functional methods in ONIOM-type hybrid QM/MM calculations; the proteolytic reaction of papain.

PubMed

Fekete, Attila; Komáromi, István

2016-12-07

A proteolytic reaction of papain with a simple peptide model substrate N-methylacetamide has been studied. Our aim was twofold: (i) we proposed a plausible reaction mechanism with the aid of potential energy surface scans and second geometrical derivatives calculated at the stationary points, and (ii) we investigated the applicability of the dispersion corrected density functional methods in comparison with the popular hybrid generalized gradient approximations (GGA) method (B3LYP) without such a correction in the QM/MM calculations for this particular problem. In the resting state of papain the ion pair and neutral forms of the Cys-His catalytic dyad have approximately the same energy and they are separated by only a small barrier. Zero point vibrational energy correction shifted this equilibrium slightly to the neutral form. On the other hand, the electrostatic solvation free energy corrections, calculated using the Poisson-Boltzmann method for the structures sampled from molecular dynamics simulation trajectories, resulted in a more stable ion-pair form. All methods we applied predicted at least a two elementary step acylation process via a zwitterionic tetrahedral intermediate. Using dispersion corrected DFT methods the thioester S-C bond formation and the proton transfer from histidine occur in the same elementary step, although not synchronously. The proton transfer lags behind (or at least does not precede) the S-C bond formation. The predicted transition state corresponds mainly to the S-C bond formation while the proton is still on the histidine Nδ atom. In contrast, the B3LYP method using larger basis sets predicts a transition state in which the S-C bond is almost fully formed and the transition state can be mainly featured by the Nδ(histidine) to N(amid) proton transfer. Considerably lower activation energy was predicted (especially by the B3LYP method) for the next amide bond breaking elementary step of acyl-enzyme formation. Deacylation appeared to be a single elementary step process in all the methods we applied.

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.

PubMed

Rohrdanz, Mary A; Martins, Katie M; Herbert, John M

2009-02-07

We introduce a hybrid density functional that asymptotically incorporates full Hartree-Fock exchange, based on the long-range-corrected exchange-hole model of Henderson et al. [J. Chem. Phys. 128, 194105 (2008)]. The performance of this functional, for ground-state properties and for vertical excitation energies within time-dependent density functional theory, is systematically evaluated, and optimal values are determined for the range-separation parameter, omega, and for the fraction of short-range Hartree-Fock exchange. We denote the new functional as LRC-omegaPBEh, since it reduces to the standard PBEh hybrid functional (also known as PBE0 or PBE1PBE) for a certain choice of its two parameters. Upon optimization of these parameters against a set of ground- and excited-state benchmarks, the LRC-omegaPBEh functional fulfills three important requirements: (i) It outperforms the PBEh hybrid functional for ground-state atomization energies and reaction barrier heights; (ii) it yields statistical errors comparable to PBEh for valence excitation energies in both small and medium-sized molecules; and (iii) its performance for charge-transfer excitations is comparable to its performance for valence excitations. LRC-omegaPBEh, with the parameters determined herein, is the first density functional that satisfies all three criteria. Notably, short-range Hartree-Fock exchange appears to be necessary in order to obtain accurate ground-state properties and vertical excitation energies using the same value of omega.

Multivariate quantile mapping bias correction: an N-dimensional probability density function transform for climate model simulations of multiple variables

NASA Astrophysics Data System (ADS)

Cannon, Alex J.

2018-01-01

Most bias correction algorithms used in climatology, for example quantile mapping, are applied to univariate time series. They neglect the dependence between different variables. Those that are multivariate often correct only limited measures of joint dependence, such as Pearson or Spearman rank correlation. Here, an image processing technique designed to transfer colour information from one image to another—the N-dimensional probability density function transform—is adapted for use as a multivariate bias correction algorithm (MBCn) for climate model projections/predictions of multiple climate variables. MBCn is a multivariate generalization of quantile mapping that transfers all aspects of an observed continuous multivariate distribution to the corresponding multivariate distribution of variables from a climate model. When applied to climate model projections, changes in quantiles of each variable between the historical and projection period are also preserved. The MBCn algorithm is demonstrated on three case studies. First, the method is applied to an image processing example with characteristics that mimic a climate projection problem. Second, MBCn is used to correct a suite of 3-hourly surface meteorological variables from the Canadian Centre for Climate Modelling and Analysis Regional Climate Model (CanRCM4) across a North American domain. Components of the Canadian Forest Fire Weather Index (FWI) System, a complicated set of multivariate indices that characterizes the risk of wildfire, are then calculated and verified against observed values. Third, MBCn is used to correct biases in the spatial dependence structure of CanRCM4 precipitation fields. Results are compared against a univariate quantile mapping algorithm, which neglects the dependence between variables, and two multivariate bias correction algorithms, each of which corrects a different form of inter-variable correlation structure. MBCn outperforms these alternatives, often by a large margin, particularly for annual maxima of the FWI distribution and spatiotemporal autocorrelation of precipitation fields.

The recalibration of the IUE scientific instrument

NASA Technical Reports Server (NTRS)

Imhoff, Catherine L.; Oliversen, Nancy A.; Nichols-Bohlin, Joy; Casatella, Angelo; Lloyd, Christopher

1988-01-01

The IUE instrument was recalibrated because of long time-scale changes in the scientific instrument, a better understanding of the performance of the instrument, improved sets of calibration data, and improved analysis techniques. Calibrations completed or planned include intensity transfer functions (ITF), low-dispersion absolute calibrations, high-dispersion ripple corrections and absolute calibrations, improved geometric mapping of the ITFs to spectral images, studies to improve the signal-to-noise, enhanced absolute calibrations employing corrections for time, temperature, and aperture dependence, and photometric and geometric calibrations for the FES.

Nominal SARAL Transfer Function

NASA Technical Reports Server (NTRS)

Arnold, David A.; Lemoine, Frank (Editor)

2015-01-01

This paper gives a calculation of the range correction and cross section of the SARAL (Satellite with Argos and ALtiKa) Indian/French ocean radar satellite retroreflector array assuming the cube corners are coated and have a dihedral angle offset of about 1.5 arcseconds to account for velocity aberration. The cubes are assumed to all have the same orientation within the mounting. The derived range correction may be applied in precise orbit determination analyses that use Satellite Laser Ranging (SLR) data to SARAL.

Exchange-Hole Dipole Dispersion Model for Accurate Energy Ranking in Molecular Crystal Structure Prediction.

PubMed

Whittleton, Sarah R; Otero-de-la-Roza, A; Johnson, Erin R

2017-02-14

Accurate energy ranking is a key facet to the problem of first-principles crystal-structure prediction (CSP) of molecular crystals. This work presents a systematic assessment of B86bPBE-XDM, a semilocal density functional combined with the exchange-hole dipole moment (XDM) dispersion model, for energy ranking using 14 compounds from the first five CSP blind tests. Specifically, the set of crystals studied comprises 11 rigid, planar compounds and 3 co-crystals. The experimental structure was correctly identified as the lowest in lattice energy for 12 of the 14 total crystals. One of the exceptions is 4-hydroxythiophene-2-carbonitrile, for which the experimental structure was correctly identified once a quasi-harmonic estimate of the vibrational free-energy contribution was included, evidencing the occasional importance of thermal corrections for accurate energy ranking. The other exception is an organic salt, where charge-transfer error (also called delocalization error) is expected to cause the base density functional to be unreliable. Provided the choice of base density functional is appropriate and an estimate of temperature effects is used, XDM-corrected density-functional theory is highly reliable for the energetic ranking of competing crystal structures.

The effect of intrinsic attenuation correction methods on the stationarity of the 3-D modulation transfer function of SPECT.

PubMed

Glick, S J; Hawkins, W G; King, M A; Penney, B C; Soares, E J; Byrne, C L

1992-01-01

The application of stationary restoration techniques to SPECT images assumes that the modulation transfer function (MTF) of the imaging system is shift invariant. It was hypothesized that using intrinsic attenuation correction (i.e., methods which explicitly invert the exponential radon transform) would yield a three-dimensional (3-D) MTF which varies less with position within the transverse slices than the combined conjugate view two-dimensional (2-D) MTF varies with depth. Thus the assumption of shift invariance would become less of an approximation for 3-D post- than for 2-D pre-reconstruction restoration filtering. SPECT acquisitions were obtained from point sources located at various positions in three differently shaped, water-filled phantoms. The data were reconstructed with intrinsic attenuation correction, and 3-D MTFs were calculated. Four different intrinsic attenuation correction methods were compared: (1) exponentially weighted backprojection, (2) a modified exponentially weighted backprojection as described by Tanaka et al. [Phys. Med. Biol. 29, 1489-1500 (1984)], (3) a Fourier domain technique as described by Bellini et al. [IEEE Trans. ASSP 27, 213-218 (1979)], and (4) the circular harmonic transform (CHT) method as described by Hawkins et al. [IEEE Trans. Med. Imag. 7, 135-148 (1988)]. The dependence of the 3-D MTF obtained with these methods, on point source location within an attenuator, and on shape of the attenuator, was studied. These 3-D MTFs were compared to: (1) those MTFs obtained with no attenuation correction, and (2) the depth dependence of the arithmetic mean combined conjugate view 2-D MTFs.(ABSTRACT TRUNCATED AT 250 WORDS)

[Microsurgical 2nd toe transfer for catastrophic hand reconstruction].

PubMed

Placer, A; Lozano, Ja

2007-01-01

The correct reconstruction of the catastrophic hand requires complex surgical techniques. The microsurgical transference of a toe is indicated when all other reconstructive options are shown to be useless for the reconstruction of the required clamp function. In this clinical note we set out the case of a 32 year old man, who came to our accident and emergency department after suffering a traffic accident. After exploration the diagnosis was that of catastrophic left hand, among other policontusions. Urgent surgery was carried out, saving the maximum possible viable structures. The immediate result of this surgery was a hand with 1st, 4th and 5th functional fingers. As the essential clamp function between the 1st and 4th or 5th fingers was not totally satisfactory, we decided to reconstruct the 3rd finger of his hand with his ipsilateral 2nd toe. All pertinent studies to determine vascularisation of the flap were carried out in planning the surgery, and the microsurgical transfer was then realized, which was successful. Today, after a suitable rehabilitation, the patient has recovered a satisfactory function of heavy and fine clamp in the operated hand. Toe to hand transfer is a good option for finger reconstruction and its function. Rehabilitation is the key to functional recovery.

Non-Gaussianity in a quasiclassical electronic circuit

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi J.; Hayakawa, Hisao

2017-05-01

We study the non-Gaussian dynamics of a quasiclassical electronic circuit coupled to a mesoscopic conductor. Non-Gaussian noise accompanying the nonequilibrium transport through the conductor significantly modifies the stationary probability density function (PDF) of the flux in the dissipative circuit. We incorporate weak quantum fluctuation of the dissipative LC circuit with a stochastic method and evaluate the quantum correction of the stationary PDF. Furthermore, an inverse formula to infer the statistical properties of the non-Gaussian noise from the stationary PDF is derived in the classical-quantum crossover regime. The quantum correction is indispensable to correctly estimate the microscopic transfer events in the QPC with the quasiclassical inverse formula.

Volterra Transfer Functions from Pulse Tests for Mildly Nonlinear Channels.

DTIC Science & Technology

1983-07-01

printing(1215) = 0 minimal printing = 1 maximum printing IFIX noise correction option = 0 no correction S1 do noise correction IPLI and IPL2 plot options...TITLE READ(5,1)N1,tI,ISKIP,IREM,IBIAS,IO)LY,DELTA, +OSAV,VAR,DFAC READ(5,1021)TITLE READ(5,I001)IPR, IFIX,IPL1, IPL2 IF(II.EQ.10000)GO To 4320...1)VIRITE (6,1004) IF(IPLT.EQ.1.OR. IPLT.EQ.3) +CALL PLOTIT(DATA2,2,11I~l,,rP,ISEIP,NIAXPL,1,1.0) IFCIPLT. EQ.1.OR. IPL2 .EQ. 0)GO TO 6544 C LABEL(18

77 FR 40459 - Electronic Fund Transfers (Regulation E); Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-10

... Electronic Fund Transfers (Regulation E); Correction AGENCY: Bureau of Consumer Financial Protection. ACTION... published the Final Rule (77 FR 6194), which implements the Electronic Fund Transfer Act, and the official... Sec. 1005.3(a) in the interim final rule, Electronic Fund Transfers (Regulation E), published on...

Communication: Correct charge transfer in CT complexes from the Becke'05 density functional

NASA Astrophysics Data System (ADS)

Becke, Axel D.; Dale, Stephen G.; Johnson, Erin R.

2018-06-01

It has been known for over twenty years that density functionals of the generalized-gradient approximation (GGA) type and exact-exchange-GGA hybrids with low exact-exchange mixing fraction yield enormous errors in the properties of charge-transfer (CT) complexes. Manifestations of this error have also plagued computations of CT excitation energies. GGAs transfer far too much charge in CT complexes. This error has therefore come to be called "delocalization" error. It remains, to this day, a vexing unsolved problem in density-functional theory (DFT). Here we report that a 100% exact-exchange-based density functional known as Becke'05 or "B05" [A. D. Becke, J. Chem. Phys. 119, 2972 (2003); 122, 064101 (2005)] predicts excellent charge transfers in classic CT complexes involving the electron donors NH3, C2H4, HCN, and C2H2 and electron acceptors F2 and Cl2. Our approach is variational, as in our recent "B05min" dipole moments paper [Dale et al., J. Chem. Phys. 147, 154103 (2017)]. Therefore B05 is not only an accurate DFT for thermochemistry but is promising as a solution to the delocalization problem as well.

Testing the Perey effect

DOE PAGES

Titus, L. J.; Nunes, Filomena M.

2014-03-12

Here, the effects of non-local potentials have historically been approximately included by applying a correction factor to the solution of the corresponding equation for the local equivalent interaction. This is usually referred to as the Perey correction factor. In this work we investigate the validity of the Perey correction factor for single-channel bound and scattering states, as well as in transfer (p, d) cross sections. Method: We solve the scattering and bound state equations for non-local interactions of the Perey-Buck type, through an iterative method. Using the distorted wave Born approximation, we construct the T-matrix for (p,d) on 17O, 41Ca,more » 49Ca, 127Sn, 133Sn, and 209Pb at 20 and 50 MeV. As a result, we found that for bound states, the Perey corrected wave function resulting from the local equation agreed well with that from the non-local equation in the interior region, but discrepancies were found in the surface and peripheral regions. Overall, the Perey correction factor was adequate for scattering states, with the exception of a few partial waves corresponding to the grazing impact parameters. These differences proved to be important for transfer reactions. In conclusion, the Perey correction factor does offer an improvement over taking a direct local equivalent solution. However, if the desired accuracy is to be better than 10%, the exact solution of the non-local equation should be pursued.« less

[Carbon monoxide tests in a steady state. Uptake and transfer capacity, normal values and lower limits].

PubMed

Ramonatxo, M; Préfaut, C; Guerrero, H; Moutou, H; Bansard, X; Chardon, G

1982-01-01

The aim of this study was to establish data which would best demonstrate the variations of different tests using Carbon Monoxide as a tracer gas (total and partial functional uptake coefficient and transfer capacity) to establish mean values and lower limits of normal of these tests. Multivariate statistical analysis was used; in the first stage a connection was sought between the fractional uptake coefficient (partial and total) to other parameters, comparing subjects and data. In the second stage the comparison was refined by eliminating the least useful data, trying, despite a small loss of material, to reveal the most important connections, linear or otherwise. The fractional uptake coefficients varied according to sex, also the variation of the partial alveolar-expired fractional uptake equivalent (DuACO) was largely a function of respiratory rate and tidal volume. The alveolar-arterial partial fractional uptake equivalent (DuaCO) depended more on respiratory frequency and age. Finally the total fractional uptake coefficient (DuCO) and the transfer capacity corrected per liter of ventilation (TLCO/V) were functions of these parameters. The last stage of this work, after taking account of the statistical observations consistent with the facts of these physiological hypotheses led to a search for a better way of approaching the laws linking the collected data to the fractional uptake coefficient. The lower limits of normal were arbitrarily defined, separating those 5% of subjects deviating most strongly from the mean. As a result, the relationship between the lower limit of normal and the theoretical mean value was 90% for the partial and total fractional uptake coefficient and 70% for the transfer capacity corrected per liter of ventilation.

Local field effects in the energy transfer between a chromophore and a carbon nanotube: a single-nanocompound investigation.

PubMed

Roquelet, Cyrielle; Vialla, Fabien; Diederichs, Carole; Roussignol, Philippe; Delalande, Claude; Deleporte, Emmanuelle; Lauret, Jean-Sébastien; Voisin, Christophe

2012-10-23

Energy transfer in noncovalently bound porphyrin/carbon nanotube compounds is investigated at the single-nanocompound scale. Excitation spectroscopy of the luminescence of the nanotube shows two resonances arising from intrinsic excitation of the nanotube and from energy transfer from the porphyrin. Polarization diagrams show that both resonances are highly anisotropic, with a preferred direction along the tube axis. The energy transfer is thus strongly anisotropic despite the almost isotropic absorption of porphyrins. We account for this result by local field effects induced by the large optical polarizability of nanotubes. We show that the local field correction extends over several nanometers outside the nanotubes and drives the overall optical response of functionalized nanotubes.

3D filling simulation of micro- and nanostructures in comparison to iso- and variothermal injection moulding trials

NASA Astrophysics Data System (ADS)

Rytka, C.; Lungershausen, J.; Kristiansen, P. M.; Neyer, A.

2016-06-01

Flow simulations can cut down both costs and time for the development of injection moulded polymer parts with functional surfaces used in life science and optical applications. We simulated the polymer melt flow into 3D micro- and nanostructures with Moldflow and Comsol and compared the results to real iso- and variothermal injection moulding trials below, at and above the transition temperature of the polymer. By adjusting the heat transfer coefficient and the transition temperature in the simulation it was possible to achieve good correlation with experimental findings at different processing conditions (mould temperature, injection velocity) for two polymers, namely polymethylmethacrylate and amorphous polyamide. The macroscopic model can be scaled down in volume and number of elements to save computational time for microstructure simulation and to enable first and foremost the nanostructure simulation, as long as local boundary conditions such as flow front speed are transferred correctly. The heat transfer boundary condition used in Moldflow was further evaluated in Comsol. Results showed that the heat transfer coefficient needs to be increased compared to macroscopic moulding in order to represent interfacial polymer/mould effects correctly. The transition temperature is most important in the packing phase for variothermal injection moulding.

Functional relevance of interindividual differences in temporal lobe callosal pathways: a DTI tractography study.

PubMed

Westerhausen, René; Grüner, Renate; Specht, Karsten; Hugdahl, Kenneth

2009-06-01

The midsagittal corpus callosum is topographically organized, that is, with regard to their cortical origin several subtracts can be distinguished within the corpus callosum that belong to specific functional brain networks. Recent diffusion tensor tractography studies have also revealed remarkable interindividual differences in the size and exact localization of these tracts. To examine the functional relevance of interindividual variability in callosal tracts, 17 right-handed male participants underwent structural and diffusion tensor magnetic resonance imaging. Probabilistic tractography was carried out to identify the callosal subregions that interconnect left and right temporal lobe auditory processing areas, and the midsagittal size of this tract was seen as indicator of the (anatomical) strength of this connection. Auditory information transfer was assessed applying an auditory speech perception task with dichotic presentations of consonant-vowel syllables (e.g., /ba-ga/). The frequency of correct left ear reports in this task served as a functional measure of interhemispheric transfer. Statistical analysis showed that a stronger anatomical connection between the superior temporal lobe areas supports a better information transfer. This specific structure-function association in the auditory modality supports the general notion that interindividual differences in callosal topography possess functional relevance.

Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

PubMed

Basire, Marie; Borgis, Daniel; Vuilleumier, Rodolphe

2013-08-14

Langevin dynamics coupled to a quantum thermal bath (QTB) allows for the inclusion of vibrational quantum effects in molecular dynamics simulations at virtually no additional computer cost. We investigate here the ability of the QTB method to reproduce the quantum Wigner distribution of a variety of model potentials, designed to assess the performances and limits of the method. We further compute the infrared spectrum of a multidimensional model of proton transfer in the gas phase and in solution, using classical trajectories sampled initially from the Wigner distribution. It is shown that for this type of system involving large anharmonicities and strong nonlinear coupling to the environment, the quantum thermal bath is able to sample the Wigner distribution satisfactorily and to account for both zero point energy and tunneling effects. It leads to quantum time correlation functions having the correct short-time behavior, and the correct associated spectral frequencies, but that are slightly too overdamped. This is attributed to the classical propagation approximation rather than the generation of the quantized initial conditions themselves.

A neural network model for transference and repetition compulsion based on pattern completion.

PubMed

Javanbakht, Arash; Ragan, Charles L

2008-01-01

In recent years because of the fascinating growth of the body of neuroscientific knowledge, psychoanalytic scientists have worked on models for the neurological substrates of key psychoanalytic concepts. Transference is an important example. In this article, the psychological process of transference is described, employing the neurological function of pattern completion in hippocampal and thalamo-cortical pathways. Similarly, repetition compulsion is seen as another type of such neurological function; however, it is understood as an attempt for mastery of the unknown, rather than simply for mastery of past experiences and perceptions. Based on this suggested model of neurological function, the myth of the psychoanalyst as blank screen is seen as impossible and ineffective, based on neurofunctional understandings of neuropsychological process. The mutative effect of psychoanalytic therapy, correcting patterns of pathological relatedness, is described briefly from conscious and unconscious perspectives. While cognitive understanding (insight) helps to modify transferentially restored, maladaptive patterns of relatedness, the development of more adaptive patterns is also contingent upon an affective experience (working through), which alters the neurological substrates of unconscious, pathological affective patterns and their neurological functional correlates.

Intramolecular Charge Transfer States in the Condensed Phase

NASA Astrophysics Data System (ADS)

Williams, C. F.; Herbert, J. M.

2009-06-01

Time-Dependent Density Functional Theory (TDDFT) with long range corrected functionals can give accurate results for the energies of electronically excited states involving Intramolecular Charge Transfer (ICT) in large molecules. If this is combined with a Molecular Mechanics (MM) representation of the surrounding solvent this technique can be used to interpret the results of condensed phase UV-Vis Spectroscopy. Often the MM region is represented by a set of point charges, however this means that the solvent cannot repolarize to adapt to the new charge distribution as a result of ICT and so the excitation energies to ICT states are overestimated. To solve this problem an algorithm that interfaces TDDFT with the polarizable force-field AMOEBA is presented; the effect of solvation on charge transfer in species such as 4,4'dimethylaminobenzonitrile (DMABN) is discussed. M.A. Rohrdanz, K.M. Martins, and J.M. Herbert, J. Chem. Phys. 130 034107 (2008).

Influence of speckle image reconstruction on photometric precision for large solar telescopes

NASA Astrophysics Data System (ADS)

Peck, C. L.; Wöger, F.; Marino, J.

2017-11-01

Context. High-resolution observations from large solar telescopes require adaptive optics (AO) systems to overcome image degradation caused by Earth's turbulent atmosphere. AO corrections are, however, only partial. Achieving near-diffraction limited resolution over a large field of view typically requires post-facto image reconstruction techniques to reconstruct the source image. Aims: This study aims to examine the expected photometric precision of amplitude reconstructed solar images calibrated using models for the on-axis speckle transfer functions and input parameters derived from AO control data. We perform a sensitivity analysis of the photometric precision under variations in the model input parameters for high-resolution solar images consistent with four-meter class solar telescopes. Methods: Using simulations of both atmospheric turbulence and partial compensation by an AO system, we computed the speckle transfer function under variations in the input parameters. We then convolved high-resolution numerical simulations of the solar photosphere with the simulated atmospheric transfer function, and subsequently deconvolved them with the model speckle transfer function to obtain a reconstructed image. To compute the resulting photometric precision, we compared the intensity of the original image with the reconstructed image. Results: The analysis demonstrates that high photometric precision can be obtained for speckle amplitude reconstruction using speckle transfer function models combined with AO-derived input parameters. Additionally, it shows that the reconstruction is most sensitive to the input parameter that characterizes the atmospheric distortion, and sub-2% photometric precision is readily obtained when it is well estimated.

75 FR 69521 - Evidence for Transfer of Entitlement of Education Benefits; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-12

... DEPARTMENT OF VETERANS AFFAIRS [OMB Control No. 2900-0708] Evidence for Transfer of Entitlement of Education Benefits; Correction AGENCY: Veterans Benefits Administration, Department of Veterans Affairs. ACTION: Notice; correction. SUMMARY: The Department of Veterans Affairs (VA) published a collection of...

Transfer RNA: a dancer between charging and mis-charging for protein biosynthesis.

PubMed

Zhou, Xiaolong; Wang, Enduo

2013-10-01

Transfer RNA plays a fundamental role in the protein biosynthesis as an adaptor molecule by functioning as a biological link between the genetic nucleotide sequence in the mRNA and the amino acid sequence in the protein. To perform its role in protein biosynthesis, it has to be accurately recognized by aminoacyl-tRNA synthetases (aaRSs) to generate aminoacyl-tRNAs (aa-tRNAs). The correct pairing between an amino acid with its cognate tRNA is crucial for translational quality control. Production and utilization of mis-charged tRNAs are usually detrimental for all the species, resulting in cellular dysfunctions. Correct aa-tRNAs formation is collectively controlled by aaRSs with distinct mechanisms and/or other trans-factors. However, in very limited instances, mis-charged tRNAs are intermediate for specific pathways or essential components for the translational machinery. Here, from the point of accuracy in tRNA charging, we review our understanding about the mechanism ensuring correct aa-tRNA generation. In addition, some unique mis-charged tRNA species necessary for the organism are also briefly described.

Comparison of B0 versus B0 and B1 field inhomogeneity correction for glycosaminoglycan chemical exchange saturation transfer imaging.

PubMed

Müller-Lutz, Anja; Ljimani, Alexandra; Stabinska, Julia; Zaiss, Moritz; Boos, Johannes; Wittsack, Hans-Jörg; Schleich, Christoph

2018-05-14

The study compares glycosaminoglycan chemical exchange saturation transfer (gagCEST) imaging of intervertebral discs corrected for solely B 0 inhomogeneities or both B 0 and B 1 inhomogeneities. Lumbar intervertebral discs of 20 volunteers were examined with T 2 -weighted and gagCEST imaging. Field inhomogeneity correction was performed with B 0 correction only and with correction of both B 0 and B 1 . GagCEST effects measured by the asymmetric magnetization transfer ratio (MTR asym ) and signal-to-noise ratio (SNR) were compared between both methods. Significant higher MTR asym and SNR values were obtained in the nucleus pulposus using B 0 and B 1 correction compared with B 0 -corrected gagCEST. The GagCEST effect was significantly different in the nucleus pulposus compared with the annulus fibrosus for both methods. The B 0 and B 1 field inhomogeneity correction method leads to an improved quality of gagCEST imaging in IVDs compared with only B 0 correction.

Thermal form factor approach to the ground-state correlation functions of the XXZ chain in the antiferromagnetic massive regime

NASA Astrophysics Data System (ADS)

Dugave, Maxime; Göhmann, Frank; Kozlowski, Karol K.; Suzuki, Junji

2016-09-01

We use the form factors of the quantum transfer matrix in the zero-temperature limit in order to study the two-point ground-state correlation functions of the XXZ chain in the antiferromagnetic massive regime. We obtain novel form factor series representations of the correlation functions which differ from those derived either from the q-vertex-operator approach or from the algebraic Bethe Ansatz approach to the usual transfer matrix. We advocate that our novel representations are numerically more efficient and allow for a straightforward calculation of the large-distance asymptotic behaviour of the two-point functions. Keeping control over the temperature corrections to the two-point functions we see that these are of order {T}∞ in the whole antiferromagnetic massive regime. The isotropic limit of our result yields a novel form factor series representation for the two-point correlation functions of the XXX chain at zero magnetic field. Dedicated to the memory of Petr Petrovich Kulish.

75 FR 33681 - Electronic Fund Transfers

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-15

... FEDERAL RESERVE SYSTEM 12 CFR Part 205 [Regulation E; Docket No. R-1343] Electronic Fund Transfers June 4, 2010. AGENCY: Board of Governors of the Federal Reserve System. ACTION: Final rule; correction..., published on June 4, 2010 (75 FR 31665) make the following correction: PART 205--ELECTRONIC FUND TRANSFERS...

Exact first order scattering correction for vector radiative transfer in coupled atmosphere and ocean systems

NASA Astrophysics Data System (ADS)

Zhai, Peng-Wang; Hu, Yongxiang; Josset, Damien B.; Trepte, Charles R.; Lucker, Patricia L.; Lin, Bing

2012-06-01

We have developed a Vector Radiative Transfer (VRT) code for coupled atmosphere and ocean systems based on the successive order of scattering (SOS) method. In order to achieve efficiency and maintain accuracy, the scattering matrix is expanded in terms of the Wigner d functions and the delta fit or delta-M technique is used to truncate the commonly-present large forward scattering peak. To further improve the accuracy of the SOS code, we have implemented the analytical first order scattering treatment using the exact scattering matrix of the medium in the SOS code. The expansion and truncation techniques are kept for higher order scattering. The exact first order scattering correction was originally published by Nakajima and Takana.1 A new contribution of this work is to account for the exact secondary light scattering caused by the light reflected by and transmitted through the rough air-sea interface.

Nikitin et al, ;Methane high-temperature partition function from contact transformations and variational calculations;, Journal of Quantitative Spectroscopy & Radiative Transfer Vol 167 (2015) pp. 53-63

NASA Astrophysics Data System (ADS)

Nikitin, A. V.; Krishna, B. M.; Rey, M.; Tashkun, S. A.; Tyuterev, Vl. G.

2017-09-01

Table 4 of Ref [1] did not contain enough digits to reproduce the fitted Q(T) values for practical applications. The corrected table is given below. This does not affect other Tables and Figures or the conclusions of [1].

76 FR 708 - Electronic Funds Transfer of Depository Taxes; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-06

... DEPARTMENT OF THE TREASURY Internal Revenue Service 26 CFR Parts 1, 31, 40, and 301 [TD 9507] RIN 1545-BJ13 Electronic Funds Transfer of Depository Taxes; Correction AGENCY: Internal Revenue Service... Electronic Funds Transfer (EFT). The temporary and final regulations provide rules under which depositors...

76 FR 709 - Electronic Funds Transfer of Depository Taxes; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-06

... DEPARTMENT OF THE TREASURY Internal Revenue Service 26 CFR Parts 40 and 301 [TD 9507] RIN 1545-BJ13 Electronic Funds Transfer of Depository Taxes; Correction AGENCY: Internal Revenue Service (IRS...) providing guidance relating to Federal tax deposits (FTDs) by Electronic Funds Transfer (EFT). The temporary...

78 FR 49365 - Electronic Fund Transfers (Regulation E); Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-14

... BUREAU OF CONSUMER FINANCIAL PROTECTION 12 CFR Part 1005 [Docket No. CFPB-2012-0050] RIN 3170-AA33 Electronic Fund Transfers (Regulation E); Correction AGENCY: Bureau of Consumer Financial Protection. ACTION... 2013 Final Rule, which along with three other final rules \\1\\ implements the Electronic Fund Transfer...

75 FR 52485 - Electronic Funds Transfer of Depository Taxes; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-26

... DEPARTMENT OF THE TREASURY Internal Revenue Service 26 CFR Parts 1, 31, 40, and 301 [REG-153340-09] RIN 1545-BJ13 Electronic Funds Transfer of Depository Taxes; Correction AGENCY: Internal Revenue... to Federal tax deposits (FTDs) by Electronic Funds Transfer (EFT). FOR FURTHER INFORMATION CONTACT...

Disregarding Graduated Treatment: Why Transfer Aggravates Recidivism

ERIC Educational Resources Information Center

Johnson, Kristin; Lanza-Kaduce, Lonn; Woolard, Jennifer

2011-01-01

These data merge correctional histories with official state and courthouse information for a sample of teenage offenders, some of whom had been transferred to the adult system. Previous research indicated that transfer aggravates recidivism after the age of 18. The correctional data allow the examination of the relationship between sanctions and…

120nm resolution in thick samples with structured illumination and adaptive optics

NASA Astrophysics Data System (ADS)

Thomas, Benjamin; Sloan, Megan; Wolstenholme, Adrian J.; Kner, Peter

2014-03-01

μLinear Structured Illumination Microscopy (SIM) provides a two-fold increase over the diffraction limited resolution. SIM produces excellent images with 120nm resolution in tissue culture cells in two and three dimensions. For SIM to work correctly, the point spread function (PSF) and optical transfer function (OTF) must be known, and, ideally, should be unaberrated. When imaging through thick samples, aberrations will be introduced into the optical system which will reduce the peak intensity and increase the width of the PSF. This will lead to reduced resolution and artifacts in SIM images. Adaptive optics can be used to correct the optical wavefront restoring the PSF to its unaberrated state, and AO has been used in several types of fluorescence microscopy. We demonstrate that AO can be used with SIM to achieve 120nm resolution through 25m of tissue by imaging through the full thickness of an adult C. elegans roundworm. The aberrations can be corrected over a 25μm × 45μm field of view with one wavefront correction setting, demonstrating that AO can be used effectively with widefield superresolution techniques.

Properties of dust and clouds in the Mars atmosphere: Analysis of Viking IRTM emission phase function sequences

NASA Technical Reports Server (NTRS)

Clancy, R. T.; Lee, S. W.

1991-01-01

An analysis of emission-phase-function (EPF) observations from the Viking Orbiter Infrared Thermal Mapper (IRTM) yields a wide variety of results regarding dust and cloud scattering in the Mars atmosphere and atmospheric-corrected albedos for the surface of Mars. A multiple scattering radiative transfer model incorporating a bidirectional phase function for the surface and atmospheric scattering by dust and clouds is used to derive surface albedos and dust and ice optical properties and optical depths for these various conditions on Mars.

Correction of the retinal dystrophy phenotype of the RCS rat by viral gene transfer of Mertk.

PubMed

Vollrath, D; Feng, W; Duncan, J L; Yasumura, D; D'Cruz, P M; Chappelow, A; Matthes, M T; Kay, M A; LaVail, M M

2001-10-23

The Royal College of Surgeons (RCS) rat is a widely studied animal model of retinal degeneration in which the inability of the retinal pigment epithelium (RPE) to phagocytize shed photoreceptor outer segments leads to a progressive loss of rod and cone photoreceptors. We recently used positional cloning to demonstrate that the gene Mertk likely corresponds to the retinal dystrophy (rdy) locus of the RCS rat. In the present study, we sought to determine whether gene transfer of Mertk to a RCS rat retina would result in correction of the RPE phagocytosis defect and preservation of photoreceptors. We used subretinal injection of a recombinant replication-deficient adenovirus encoding rat Mertk to deliver the gene to the eyes of young RCS rats. Electrophysiological assessment of animals 30 days after injection revealed an increased sensitivity of treated eyes to low-intensity light. Histologic and ultrastructural assessment demonstrated substantial sparing of photoreceptors, preservation of outer segment structure, and correction of the RPE phagocytosis defect in areas surrounding the injection site. Our results provide definitive evidence that mutation of Mertk underlies the RCS retinal dystrophy phenotype, and that the phenotype can be corrected by treatment of juvenile animals. To our knowledge, this is the first demonstration of complementation of both a functional cellular defect (phagocytosis) and a photoreceptor degeneration by gene transfer to the RPE. These results, together with the recent discovery of MERTK mutations in individuals with retinitis pigmentosa, emphasize the importance of the RCS rat as a model for gene therapy of diseases that arise from RPE dysfunction.

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

NASA Astrophysics Data System (ADS)

Chen, Mohan; Zheng, Lixin; Santra, Biswajit; Ko, Hsin-Yu; DiStasio, Robert A., Jr.; Klein, Michael L.; Car, Roberto; Wu, Xifan

2018-03-01

Proton transfer via hydronium and hydroxide ions in water is ubiquitous. It underlies acid-base chemistry, certain enzyme reactions, and even infection by the flu. Despite two centuries of investigation, the mechanism underlying why hydroxide diffuses slower than hydronium in water is still not well understood. Herein, we employ state-of-the-art density-functional-theory-based molecular dynamics—with corrections for non-local van der Waals interactions, and self-interaction in the electronic ground state—to model water and hydrated water ions. At this level of theory, we show that structural diffusion of hydronium preserves the previously recognized concerted behaviour. However, by contrast, proton transfer via hydroxide is less temporally correlated, due to a stabilized hypercoordination solvation structure that discourages proton transfer. Specifically, the latter exhibits non-planar geometry, which agrees with neutron-scattering results. Asymmetry in the temporal correlation of proton transfer leads to hydroxide diffusing slower than hydronium.

Reversible immortalisation enables genetic correction of human muscle progenitors and engineering of next-generation human artificial chromosomes for Duchenne muscular dystrophy.

PubMed

Benedetti, Sara; Uno, Narumi; Hoshiya, Hidetoshi; Ragazzi, Martina; Ferrari, Giulia; Kazuki, Yasuhiro; Moyle, Louise Anne; Tonlorenzi, Rossana; Lombardo, Angelo; Chaouch, Soraya; Mouly, Vincent; Moore, Marc; Popplewell, Linda; Kazuki, Kanako; Katoh, Motonobu; Naldini, Luigi; Dickson, George; Messina, Graziella; Oshimura, Mitsuo; Cossu, Giulio; Tedesco, Francesco Saverio

2018-02-01

Transferring large or multiple genes into primary human stem/progenitor cells is challenged by restrictions in vector capacity, and this hurdle limits the success of gene therapy. A paradigm is Duchenne muscular dystrophy (DMD), an incurable disorder caused by mutations in the largest human gene: dystrophin. The combination of large-capacity vectors, such as human artificial chromosomes (HACs), with stem/progenitor cells may overcome this limitation. We previously reported amelioration of the dystrophic phenotype in mice transplanted with murine muscle progenitors containing a HAC with the entire dystrophin locus (DYS-HAC). However, translation of this strategy to human muscle progenitors requires extension of their proliferative potential to withstand clonal cell expansion after HAC transfer. Here, we show that reversible cell immortalisation mediated by lentivirally delivered excisable hTERT and Bmi1 transgenes extended cell proliferation, enabling transfer of a novel DYS-HAC into DMD satellite cell-derived myoblasts and perivascular cell-derived mesoangioblasts. Genetically corrected cells maintained a stable karyotype, did not undergo tumorigenic transformation and retained their migration ability. Cells remained myogenic in vitro (spontaneously or upon MyoD induction) and engrafted murine skeletal muscle upon transplantation. Finally, we combined the aforementioned functions into a next-generation HAC capable of delivering reversible immortalisation, complete genetic correction, additional dystrophin expression, inducible differentiation and controllable cell death. This work establishes a novel platform for complex gene transfer into clinically relevant human muscle progenitors for DMD gene therapy. © 2017 The Authors. Published under the terms of the CC BY 4.0 license.

[Quality Improvement Project: Increasing the Rate of Proper Use of Infant Transferring Warmers].

PubMed

Huang, Hsiu-Yu; Fann, Guei-Ling

2015-10-01

Infant-transferring warmers provide a warm environment and emergency care facilities such ventilators for high-risk infants during transport. Accurate use of this warmer has been demonstrated to reduce rates of neonatal complications and increase rates of survival. This project found that, despite the complaints of nurses that warmers occasionally malfunctioned during the transfer process, warmer functions nearly always tested normal after use. Therefore, the researchers surveyed ward nurses to better understand the underlying reasons for these complaints. Results found that only 68.4% of those surveyed operated the warmer correctly. The reasons for improper use were analyzed and categorized as: Nurse-related factors - lack of warmer operating knowledge and experience in the clinic; System-related factors - lack of a standard operating procedure (SOP) and monitor/audit practices and an incomplete training protocol; Equipment-related factors - lack of an equipment preparation SOP and difficulties in setting the ventilator properly. The purpose of this project was to achieve a 100% rate of proper warmer use among nurses. Through continuous clinical education, we created a standard operating procedure for warmer operation, created a video and poster for warmer users, simplified the equipment preparation SOP, and periodically monitored and checked results. After the intervention, 100% of the nurses were able to use the warmers correctly. Additionally, the rate of satisfaction for nursing-warmer use among the participating nurses increased from 51.4% to 80.6%. This project effectively increased the rate for correctly using transferring warmers among participating nurses and improved the quality of medical care.

Long-range correction for tight-binding TD-DFT

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

Humeniuk, Alexander; Mitrić, Roland, E-mail: roland.mitric@uni-wuerzburg.de

2015-10-07

We present two improvements to the tight-binding approximation of time-dependent density functional theory (TD-DFTB): First, we add an exact Hartree-Fock exchange term, which is switched on at large distances, to the ground state Hamiltonian and similarly to the coupling matrix that enters the linear response equations for the calculation of excited electronic states. We show that the excitation energies of charge transfer states are improved relative to the standard approach without the long-range correction by testing the method on a set of molecules from the database in Peach et al. [J. Chem. Phys. 128, 044118 (2008)] which are known tomore » exhibit problematic charge transfer states. The degree of spatial overlap between occupied and virtual orbitals indicates where TD-DFTB and long-range corrected TD-DFTB (lc-TD-DFTB) can be expected to produce large errors. Second, we improve the calculation of oscillator strengths. The transition dipoles are obtained from Slater Koster files for the dipole matrix elements between valence orbitals. In particular, excitations localized on a single atom, which appear dark when using Mulliken transition charges, acquire a more realistic oscillator strength in this way. These extensions pave the way for using lc-TD-DFTB to describe the electronic structure of large chromophoric polymers, where uncorrected TD-DFTB fails to describe the high degree of conjugation and produces spurious low-lying charge transfer states.« less

Filtering Non-Linear Transfer Functions on Surfaces.

PubMed

Heitz, Eric; Nowrouzezahrai, Derek; Poulin, Pierre; Neyret, Fabrice

2014-07-01

Applying non-linear transfer functions and look-up tables to procedural functions (such as noise), surface attributes, or even surface geometry are common strategies used to enhance visual detail. Their simplicity and ability to mimic a wide range of realistic appearances have led to their adoption in many rendering problems. As with any textured or geometric detail, proper filtering is needed to reduce aliasing when viewed across a range of distances, but accurate and efficient transfer function filtering remains an open problem for several reasons: transfer functions are complex and non-linear, especially when mapped through procedural noise and/or geometry-dependent functions, and the effects of perspective and masking further complicate the filtering over a pixel's footprint. We accurately solve this problem by computing and sampling from specialized filtering distributions on the fly, yielding very fast performance. We investigate the case where the transfer function to filter is a color map applied to (macroscale) surface textures (like noise), as well as color maps applied according to (microscale) geometric details. We introduce a novel representation of a (potentially modulated) color map's distribution over pixel footprints using Gaussian statistics and, in the more complex case of high-resolution color mapped microsurface details, our filtering is view- and light-dependent, and capable of correctly handling masking and occlusion effects. Our approach can be generalized to filter other physical-based rendering quantities. We propose an application to shading with irradiance environment maps over large terrains. Our framework is also compatible with the case of transfer functions used to warp surface geometry, as long as the transformations can be represented with Gaussian statistics, leading to proper view- and light-dependent filtering results. Our results match ground truth and our solution is well suited to real-time applications, requires only a few lines of shader code (provided in supplemental material, which can be found on the Computer Society Digital Library at http://doi.ieeecomputersociety.org/10.1109/TVCG.2013.102), is high performance, and has a negligible memory footprint.

Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: Local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2014-03-25

The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored in this paper by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the trainingmore » and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491 508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491 508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. Finally, the range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.« less

Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

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

Hahn, T., E-mail: torsten.hahn@physik.tu-freiberg.de; Liebing, S.; Kortus, J.

2015-12-14

The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbitalmore » positions in structurally similar molecules appear to be transferable.« less

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

NASA Astrophysics Data System (ADS)

Li, Chen; Requist, Ryan; Gross, E. K. U.

2018-02-01

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = Rc, where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical Rc by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M-1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇Rχ(R) and ∇Rn(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation—an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

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

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

DOE PAGES

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya; ...

2016-08-09

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Insights on blastomere nuclearity.

PubMed

Gil, Mónica; D'Ommar, Gustavo; Póo, Maria E; Sosa, Anna; Piras, Marta; Piras, Romano; Rísquez, Francisco

2007-01-01

To analyze the results of our transferred embryos, especially those that "changed" their blastomere nuclearity from Multinucleated (MN) to Mono-nucleated during development. Pregnancies where at least one MN embryo was transferred were retrospectively evaluated and categorized in order to record and follow-up on the ones that were implanted. Embryos were classified as normal (when all blastomeres were mono-nucleated on day one and two of development), corrected (multinucleated embryos on day one that became mono-nucleated on day two) and non-corrected (multinucleated either on day one, on day two or both days). There were 633 transfer cycles analyzed. Thirty-three percent (206) had at least one embryo with a MN blastomere at a given stage of development. Pregnancy and implantation rates were 29.0% and 19.0% for the group of exclusively mono-nucleated embryo transfers, and 28.6% and 15.8% for the group with at least one MN embryo transferred. The pregnancy outcome for "corrected" and "non-corrected" embryos could be corroborated unequivocally in only 9 cases, with an outcome of 8 and 4 normal babies, respectively. Because the amount of data analyzed is not satisfactorily large, differences were not significantly different; however, a trend may exist showing that normal at term pregnancies obtained from corrected embryos are more likely to occur than those from non-corrected embryos. Nuclear observation on a daily basis should be one of the strategies used to select the best embryos for transferring, to improve implantation rates and avoid multiple pregnancies.

Long-range-corrected Rung 3.5 density functional approximations

NASA Astrophysics Data System (ADS)

Janesko, Benjamin G.; Proynov, Emil; Scalmani, Giovanni; Frisch, Michael J.

2018-03-01

Rung 3.5 functionals are a new class of approximations for density functional theory. They provide a flexible intermediate between exact (Hartree-Fock, HF) exchange and semilocal approximations for exchange. Existing Rung 3.5 functionals inherit semilocal functionals' limitations in atomic cores and density tails. Here we address those limitations using range-separated admixture of HF exchange. We present three new functionals. LRC-ωΠLDA combines long-range HF exchange with short-range Rung 3.5 ΠLDA exchange. SLC-ΠLDA combines short- and long-range HF exchange with middle-range ΠLDA exchange. LRC-ωΠLDA-AC incorporates a combination of HF, semilocal, and Rung 3.5 exchange in the short range, based on an adiabatic connection. We test these in a new Rung 3.5 implementation including up to analytic fourth derivatives. LRC-ωΠLDA and SLC-ΠLDA improve atomization energies and reaction barriers by a factor of 8 compared to the full-range ΠLDA. LRC-ωΠLDA-AC brings further improvement approaching the accuracy of standard long-range corrected schemes LC-ωPBE and SLC-PBE. The new functionals yield highest occupied orbital energies closer to experimental ionization potentials and describe correctly the weak charge-transfer complex of ethylene and dichlorine and the hole-spin distribution created by an Al defect in quartz. This study provides a framework for more flexible range-separated Rung 3.5 approximations.

Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory.

PubMed

Plötner, Jürgen; Tozer, David J; Dreuw, Andreas

2010-08-10

Time-dependent density functional theory (TDDFT) with standard GGA or hybrid exchange-correlation functionals is not capable of describing the potential energy surface of the S1 state of Pigment Yellow 101 correctly; an additional local minimum is observed at a twisted geometry with substantial charge transfer (CT) character. To investigate the influence of nonlocal exact orbital (Hartree-Fock) exchange on the shape of the potential energy surface of the S1 state in detail, it has been computed along the twisting coordinate employing the standard BP86, B3LYP, and BHLYP xc-functionals as well as the long-range separated (LRS) exchange-correlation (xc)-functionals LC-BOP, ωB97X, ωPBE, and CAM-B3LYP and compared to RI-CC2 benchmark results. Additionally, a recently suggested Λ-parameter has been employed that measures the amount of CT in an excited state by calculating the spatial overlap of the occupied and virtual molecular orbitals involved in the transition. Here, the error in the calculated S1 potential energy curves at BP86, B3LYP, and BHLYP can be clearly related to the Λ-parameter, i.e., to the extent of charge transfer. Additionally, it is demonstrated that the CT problem is largely alleviated when the BHLYP xc-functional is employed, although it still exhibits a weak tendency to underestimate the energy of CT states. The situation improves drastically when LRS-functionals are employed within TDDFT excited state calculations. All tested LRS-functionals give qualitatively the correct potential energy curves of the energetically lowest excited states of P. Y. 101 along the twisting coordinate. While LC-BOP and ωB97X overcorrect the CT problem and now tend to give too large excitation energies compared to other non-CT states, ωPBE and CAM-B3LYP are in excellent agreement with the RI-CC2 results, with respect to both the correct shape of the potential energy curve as well as the absolute values of the calculated excitation energies.

Problems in Navy Reimbursable Accounting

DTIC Science & Technology

1990-12-01

and relies heavily on the cost accounting function to accurately log expenses against the correct job order number. These factors, coupled with the...complete funding documents. * Failure to follow regulations. * Cost transfer problems. * DOD accounting policy change and its impact on intra...by an amount equal to the lost (expired) reimbursable funds from the previous fiscal year. 4. The Importance of Cost Accounting In order to

Analysis of Lunar Seismic Signals: Determination of Instrumental Parameters and Seismic Velocity Distributions. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Horvath, P.

1979-01-01

Inverse filters were designed to correct the effect of instrumental response, coupling of the seismometer to the ground, and near surface structures. The least squares technique was used to determine the instrumental constants and the transfer functions of the long period lunar seismographs. The influence of noise and the results of these calculations are discussed.

A noncoherent optical analog image processor.

PubMed

Swindell, W

1970-11-01

The description of a machine that performs a variety of image processing operations is given, together with a theoretical discussion of its operation. Spatial processing is performed by corrective convolution techniques. Density processing is achieved by means of an electrical transfer function generator included in the video circuit. Examples of images processed for removal of image motion blur, defocus, and atmospheric seeing blur are shown.

Charge transfer optical absorption and fluorescence emission of 4-(9-acridyl)julolidine from long-range-corrected time dependent density functional theory in polarizable continuum approach.

PubMed

Kityk, A V

2014-07-15

A long-range-corrected time-dependent density functional theory (LC-TDDFT) in combination with polarizable continuum model (PCM) have been applied to study charge transfer (CT) optical absorption and fluorescence emission energies basing on parameterized LC-BLYP xc-potential. The molecule of 4-(9-acridyl)julolidine selected for this study represents typical CT donor-acceptor dye with strongly solvent dependent optical absorption and fluorescence emission spectra. The result of calculations are compared with experimental spectra reported in the literature to derive an optimal value of the model screening parameter ω. The first absorption band appears to be quite well predictable within DFT/TDDFT/PCM with the screening parameter ω to be solvent independent (ω ≈ 0.245 Bohr(-1)) whereas the fluorescence emission exhibits a strong dependence on the range separation with ω-value varying on a rising solvent polarity from about 0.225 to 0.151 Bohr(-1). Dipolar properties of the initial state participating in the electronic transition have crucial impact on the effective screening. Copyright © 2014 Elsevier B.V. All rights reserved.

Analytically exploiting noise correlations inside the feedback loop to improve locked-oscillator performance.

PubMed

Sastrawan, J; Jones, C; Akhalwaya, I; Uys, H; Biercuk, M J

2016-08-01

We introduce concepts from optimal estimation to the stabilization of precision frequency standards limited by noisy local oscillators. We develop a theoretical framework casting various measures for frequency standard variance in terms of frequency-domain transfer functions, capturing the effects of feedback stabilization via a time series of Ramsey measurements. Using this framework, we introduce an optimized hybrid predictive feedforward measurement protocol that employs results from multiple past measurements and transfer-function-based calculations of measurement covariance to improve the accuracy of corrections within the feedback loop. In the presence of common non-Markovian noise processes these measurements will be correlated in a calculable manner, providing a means to capture the stochastic evolution of the local oscillator frequency during the measurement cycle. We present analytic calculations and numerical simulations of oscillator performance under competing feedback schemes and demonstrate benefits in both correction accuracy and long-term oscillator stability using hybrid feedforward. Simulations verify that in the presence of uncompensated dead time and noise with significant spectral weight near the inverse cycle time predictive feedforward outperforms traditional feedback, providing a path towards developing a class of stabilization software routines for frequency standards limited by noisy local oscillators.

Application of double-hybrid density functionals to charge transfer in N-substituted pentacenequinones.

PubMed

Sancho-García, J C

2012-05-07

A set of N-heteroquinones, deriving from oligoacenes, have been recently proposed as n-type organic semiconductors with high electron mobilities in thin-film transistors. Generally speaking, this class of compounds self-assembles in neighboring π-stacks linked by weak hydrogen bonds. We aim at theoretically characterizing here the sequential charge transport (hopping) process expected to take place across these arrays of molecules. To do so, we need to accurately address the preferred packing of these materials simultaneously to single-molecule properties related to charge-transfer events, carefully employing dispersion-corrected density functional theory methods to accurately extract the key molecular parameters governing this phenomenon at the nanoscale. This study confirms the great deal of interest around these compounds, since controlled functionalization of model molecules (i.e., pentacene) allows to efficiently tune the corresponding charge mobilities, and the capacity of modern quantum-chemical methods to predict it after rationalizing the underlying structure-property relationships.

Is tibialis anterior tendon transfer effective for recurrent clubfoot?

PubMed

Gray, Kelly; Burns, Joshua; Little, David; Bellemore, Michael; Gibbons, Paul

2014-02-01

Tibialis anterior tendon transfer surgery forms a part of Ponseti management for children with congenital talipes equinovarus who, after initial correction, present with residual dynamic supination. Although retrospective studies support good outcomes, prospective longitudinal studies in this population are lacking. We assessed strength, plantar loading, ROM, foot alignment, function, satisfaction, and quality of life in patients with clubfoot that recurred after Ponseti casting who met indications for tibialis anterior tendon transfer surgery, and compared them with a group of patients with clubfoot treated with casting but whose deformity did not recur (therefore who were not indicated for tibialis anterior tendon transfer surgery). Twenty children with idiopathic congenital talipes equinovarus indicated for tibialis anterior tendon transfer surgery were recruited. Assessment at baseline (before surgery), and 3, 6, and 12 months (after surgery) included strength (hand-held dynamometry), plantar loading (capacitance transducer matrix platform), ROM (Dimeglio scale), foot alignment (Foot Posture Index(©)), function and satisfaction (disease-specific instrument for clubfoot), and quality of life (Infant Toddler Quality of Life Questionnaire™). Outcomes were compared with those of 12 age-matched children with congenital talipes equinovarus not indicated for tibialis anterior tendon transfer surgery. Followup was 100% in the control group and 95% (19 of 20) in the tibialis anterior transfer group. At baseline, the tibialis anterior tendon transfer group had a significantly worse eversion-to-inversion strength ratio, plantar loading, ROM, foot alignment, and function and satisfaction. At 3 months after surgery, eversion-to-inversion strength, plantar loading, and function and satisfaction were no longer different between groups. Improvements were maintained at 12 months after surgery (eversion-to-inversion strength mean difference, 8% body weight; 95% CI, -26% to 11%; p = 0.412; plantar loading, p > 0.251; function and satisfaction, p = 0.076). ROM remained less and foot alignment more supinated in the tibialis anterior tendon transfer group between baseline and followup (p < 0.001, p < 0.001). Tibialis anterior tendon transfer surgery was an effective procedure, which at 12-month followup restored the balance of eversion-to-inversion strength and resulted in plantar loading and function and satisfaction outcomes similar to those of age-matched children with congenital talipes equinovarus who after Ponseti casting were not indicated for tibialis anterior tendon transfer.

Quantitative phase imaging method based on an analytical nonparaxial partially coherent phase optical transfer function.

PubMed

Bao, Yijun; Gaylord, Thomas K

2016-11-01

Multifilter phase imaging with partially coherent light (MFPI-PC) is a promising new quantitative phase imaging method. However, the existing MFPI-PC method is based on the paraxial approximation. In the present work, an analytical nonparaxial partially coherent phase optical transfer function is derived. This enables the MFPI-PC to be extended to the realistic nonparaxial case. Simulations over a wide range of test phase objects as well as experimental measurements on a microlens array verify higher levels of imaging accuracy compared to the paraxial method. Unlike the paraxial version, the nonparaxial MFPI-PC with obliquity factor correction exhibits no systematic error. In addition, due to its analytical expression, the increase in computation time compared to the paraxial version is negligible.

Successful twin delivery following transmyometrial embryo transfer in a patient with a false uterine cavity.

PubMed

Muñoz, Manuel; Galindo, Noemí; Pérez-Cano, Inmaculada; Cruz, María; García-Velasco, Juan Antonio

2014-02-01

A successful pregnancy is the greatest goal for reproductive medicine. The probability that pregnancy occurs during a cycle of assisted reproduction is a function of multiple factors, of which embryo transfer is one of the most critical steps in these treatments. This article reports a case of successful pregnancy and twin delivery by transmyometrial embryo transfer after IVF in a woman with a neocavity parallel to the uterine cavity, which prevented the transfer of embryos to the correct place. The patient first went to another fertility centre where embryo transfer was impossible to perform because the cervix could not be canalized. Subsequently in this study clinic, after considering the difficulty of inserting a catheter into the endometrial cavity, a trial transfer was performed, which discovered a false route parallel to endometrial cavity. Following a first cycle in which conventional transcervical embryo transfer was performed, a transmyometrial embryo transfer was carried out and the patient became pregnant with twins. In cases where transcervical embryo transfer is very difficult or impossible to perform, the value of transmyometrial transfer is self-evident. Copyright © 2013 Reproductive Healthcare Ltd. Published by Elsevier Ltd. All rights reserved.

Emerging From Water: Underwater Image Color Correction Based on Weakly Supervised Color Transfer

NASA Astrophysics Data System (ADS)

Li, Chongyi; Guo, Jichang; Guo, Chunle

2018-03-01

Underwater vision suffers from severe effects due to selective attenuation and scattering when light propagates through water. Such degradation not only affects the quality of underwater images but limits the ability of vision tasks. Different from existing methods which either ignore the wavelength dependency of the attenuation or assume a specific spectral profile, we tackle color distortion problem of underwater image from a new view. In this letter, we propose a weakly supervised color transfer method to correct color distortion, which relaxes the need of paired underwater images for training and allows for the underwater images unknown where were taken. Inspired by Cycle-Consistent Adversarial Networks, we design a multi-term loss function including adversarial loss, cycle consistency loss, and SSIM (Structural Similarity Index Measure) loss, which allows the content and structure of the corrected result the same as the input, but the color as if the image was taken without the water. Experiments on underwater images captured under diverse scenes show that our method produces visually pleasing results, even outperforms the art-of-the-state methods. Besides, our method can improve the performance of vision tasks.

Long-term correction of canine hemophilia B by gene transfer of blood coagulation factor IX mediated by adeno-associated viral vector.

PubMed

Herzog, R W; Yang, E Y; Couto, L B; Hagstrom, J N; Elwell, D; Fields, P A; Burton, M; Bellinger, D A; Read, M S; Brinkhous, K M; Podsakoff, G M; Nichols, T C; Kurtzman, G J; High, K A

1999-01-01

Hemophilia B is a severe X-linked bleeding diathesis caused by the absence of functional blood coagulation factor IX, and is an excellent candidate for treatment of a genetic disease by gene therapy. Using an adeno-associated viral vector, we demonstrate sustained expression (>17 months) of factor IX in a large-animal model at levels that would have a therapeutic effect in humans (up to 70 ng/ml, adequate to achieve phenotypic correction, in an animal injected with 8.5x10(12) vector particles/kg). The five hemophilia B dogs treated showed stable, vector dose-dependent partial correction of the whole blood clotting time and, at higher doses, of the activated partial thromboplastin time. In contrast to other viral gene delivery systems, this minimally invasive procedure, consisting of a series of percutaneous intramuscular injections at a single timepoint, was not associated with local or systemic toxicity. Efficient gene transfer to muscle was shown by immunofluorescence staining and DNA analysis of biopsied tissue. Immune responses against factor IX were either absent or transient. These data provide strong support for the feasibility of the approach for therapy of human subjects.

Statistical bias correction modelling for seasonal rainfall forecast for the case of Bali island

NASA Astrophysics Data System (ADS)

Lealdi, D.; Nurdiati, S.; Sopaheluwakan, A.

2018-04-01

Rainfall is an element of climate which is highly influential to the agricultural sector. Rain pattern and distribution highly determines the sustainability of agricultural activities. Therefore, information on rainfall is very useful for agriculture sector and farmers in anticipating the possibility of extreme events which often cause failures of agricultural production. This research aims to identify the biases from seasonal forecast products from ECMWF (European Centre for Medium-Range Weather Forecasts) rainfall forecast and to build a transfer function in order to correct the distribution biases as a new prediction model using quantile mapping approach. We apply this approach to the case of Bali Island, and as a result, the use of bias correction methods in correcting systematic biases from the model gives better results. The new prediction model obtained with this approach is better than ever. We found generally that during rainy season, the bias correction approach performs better than in dry season.

Femtosecond-level timing fluctuation suppression in atmospheric frequency transfer with passive phase conjunction correction.

PubMed

Sun, Fuyu; Hou, Dong; Zhang, Danian; Tian, Jie; Hu, Jianguo; Huang, Xianhe; Chen, Shijun

2017-09-04

We demonstrate femtosecond-level timing fluctuation suppression in indoor atmospheric comb-based frequency transfer with a passive phase conjunction correction technique. Timing fluctuations and Allan deviations are both measured to characterize the excess frequency instability incurred during the frequency transfer process. By transferring a 2 GHz microwave over a 52-m long free-space link in 5000 s, the total root-mean-square (RMS) timing fluctuation was measured to be about 280 fs with a fractional frequency instability on the order of 3 × 10 -13 at 1 s and 6 × 10 -17 at 1000 s. This atmospheric comb-based frequency transfer with passive phase conjunction correction can be used to build an atomic clock-based free-space frequency transmission link because its instability is less than that of a commercial Cs or H-master clock.

Advanced subgrid-scale modeling for convection-dominated species transport at fluid interfaces with application to mass transfer from rising bubbles

NASA Astrophysics Data System (ADS)

Weiner, Andre; Bothe, Dieter

2017-10-01

This paper presents a novel subgrid scale (SGS) model for simulating convection-dominated species transport at deformable fluid interfaces. One possible application is the Direct Numerical Simulation (DNS) of mass transfer from rising bubbles. The transport of a dissolving gas along the bubble-liquid interface is determined by two transport phenomena: convection in streamwise direction and diffusion in interface normal direction. The convective transport for technical bubble sizes is several orders of magnitude higher, leading to a thin concentration boundary layer around the bubble. A true DNS, fully resolving hydrodynamic and mass transfer length scales results in infeasible computational costs. Our approach is therefore a DNS of the flow field combined with a SGS model to compute the mass transfer between bubble and liquid. An appropriate model-function is used to compute the numerical fluxes on all cell faces of an interface cell. This allows to predict the mass transfer correctly even if the concentration boundary layer is fully contained in a single cell layer around the interface. We show that the SGS-model reduces the resolution requirements at the interface by a factor of ten and more. The integral flux correction is also applicable to other thin boundary layer problems. Two flow regimes are investigated to validate the model. A semi-analytical solution for creeping flow is used to assess local and global mass transfer quantities. For higher Reynolds numbers ranging from Re = 100 to Re = 460 and Péclet numbers between Pe =104 and Pe = 4 ṡ106 we compare the global Sherwood number against correlations from literature. In terms of accuracy, the predicted mass transfer never deviates more than 4% from the reference values.

Assessment of polarization effect on aerosol retrievals from MODIS

NASA Astrophysics Data System (ADS)

Korkin, S.; Lyapustin, A.

2010-12-01

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

Design of see-through near-eye display for presbyopia.

PubMed

Wu, Yishi; Chen, Chao Ping; Zhou, Lei; Li, Yang; Yu, Bing; Jin, Huayi

2017-04-17

We propose a compact design of see-through near-eye display that is dedicated to presbyopia. Our solution is characterized by a plano-convex waveguide, which is essentially an integration of a corrective lens and two volume holograms. Its design rules are set forth in detail, followed by the results and discussion regarding the diffraction efficiency, field of view, modulation transfer function, distortion, and simulated imaging.

Site correction of stochastic simulation in southwestern Taiwan

NASA Astrophysics Data System (ADS)

Lun Huang, Cong; Wen, Kuo Liang; Huang, Jyun Yan

2014-05-01

Peak ground acceleration (PGA) of a disastrous earthquake, is concerned both in civil engineering and seismology study. Presently, the ground motion prediction equation is widely used for PGA estimation study by engineers. However, the local site effect is another important factor participates in strong motion prediction. For example, in 1985 the Mexico City, 400km far from the epicenter, suffered massive damage due to the seismic wave amplification from the local alluvial layers. (Anderson et al., 1986) In past studies, the use of stochastic method had been done and showed well performance on the simulation of ground-motion at rock site (Beresnev and Atkinson, 1998a ; Roumelioti and Beresnev, 2003). In this study, the site correction was conducted by the empirical transfer function compared with the rock site response from stochastic point-source (Boore, 2005) and finite-fault (Boore, 2009) methods. The error between the simulated and observed Fourier spectrum and PGA are calculated. Further we compared the estimated PGA to the result calculated from ground motion prediction equation. The earthquake data used in this study is recorded by Taiwan Strong Motion Instrumentation Program (TSMIP) from 1991 to 2012; the study area is located at south-western Taiwan. The empirical transfer function was generated by calculating the spectrum ratio between alluvial site and rock site (Borcheret, 1970). Due to the lack of reference rock site station in this area, the rock site ground motion was generated through stochastic point-source model instead. Several target events were then chosen for stochastic point-source simulating to the halfspace. Then, the empirical transfer function for each station was multiplied to the simulated halfspace response. Finally, we focused on two target events: the 1999 Chi-Chi earthquake (Mw=7.6) and the 2010 Jiashian earthquake (Mw=6.4). Considering the large event may contain with complex rupture mechanism, the asperity and delay time for each sub-fault is to be concerned. Both the stochastic point-source and the finite-fault model were used to check the result of our correction.

The Charge Transfer Efficiency and Calibration of WFPC2

NASA Technical Reports Server (NTRS)

Dolphin, Andrew E.

2000-01-01

A new determination of WFPC2 photometric corrections is presented, using HSTphot reduction of the WFPC2 Omega Centauri and NGC 2419 observations from January 1994 through March 2000 and a comparison with ground-based photometry. No evidence is seen for any position-independent photometric offsets (the "long-short anomaly"); all systematic errors appear to be corrected with the CTE and zero point solution. The CTE loss time dependence is determined to be very significant in the Y direction, causing time-independent CTE solutions to be valid only for a small range of times. On average, the present solution produces corrections similar to Whitmore, Heyer, & Casertano, although with an improved functional form that produces less scatter in the residuals and determined with roughly a year of additional data. In addition to the CTE loss characterization, zero point corrections are also determined as functions of chip, gain, filter, and temperature. Of interest, there are chip-to-chip differences of order 0.01 - 0.02 magnitudes relative to the Holtzman et al. calibrations, and the present study provides empirical zero point determinations for the non-standard filters such as the frequently-used F450W, F606W, and F702W.

Atmospheric turbulence effects on the performance of the laser wireless power transfer system

NASA Astrophysics Data System (ADS)

Kapranov, V. V.; Matsak, I. S.; Tugaenko, V. Yu.; Blank, A. V.; Suhareva, N. A.

2017-02-01

Application of adaptive correction is necessary to control wandering of the laser beam in wireless power transfer (WPT) system. In this paper we describe experimental results of using different adaptive correction techniques for both weak and strong turbulence conditions. All experiments were performed over a 1.5 km near-horizontal atmospheric path. Some criteria for choosing parameters of adaptive correction are given.

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF.

PubMed

Li, Chen; Requist, Ryan; Gross, E K U

2018-02-28

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = R c , where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical R c by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M -1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇ R χ(R) and ∇ R n(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation-an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Advanced Land Imager Assessment System

NASA Technical Reports Server (NTRS)

Chander, Gyanesh; Choate, Mike; Christopherson, Jon; Hollaren, Doug; Morfitt, Ron; Nelson, Jim; Nelson, Shar; Storey, James; Helder, Dennis; Ruggles, Tim;

Time-dependent calculations of transfer ionization by fast proton-helium collision in one-dimensional kinematics

NASA Astrophysics Data System (ADS)

Serov, Vladislav V.; Kheifets, A. S.

2014-12-01

We analyze a transfer ionization (TI) reaction in the fast proton-helium collision H++He →H0+He2 ++ e- by solving a time-dependent Schrödinger equation (TDSE) under the classical projectile motion approximation in one-dimensional kinematics. In addition, we construct various time-independent analogs of our model using lowest-order perturbation theory in the form of the Born series. By comparing various aspects of the TDSE and the Born series calculations, we conclude that the recent discrepancies of experimental and theoretical data may be attributed to deficiency of the Born models used by other authors. We demonstrate that the correct Born series for TI should include the momentum-space overlap between the double-ionization amplitude and the wave function of the transferred electron.

Forest Resource Information System. Phase 3: System transfer report

NASA Technical Reports Server (NTRS)

Mroczynski, R. P. (Principal Investigator)

1981-01-01

Transfer of the forest reserve information system (FRIS) from the Laboratory for Applications of Remote Sensing to St. Regis Paper Company is described. Modifications required for the transfer of the LARYS image processing software are discussed. The reformatting, geometric correction, image registration, and documentation performed for preprocessing transfer are described. Data turnaround was improved and geometrically corrected and ground-registered CCT LANDSAT 3 data provided to the user. The technology transfer activities are summarized. An application test performed in order to assess a Florida land acquisition is described. A benefit/cost analysis of FRIS is presented.

Influence of Hydration on Proton Transfer in the Guanine-Cytosine Radical Cation (G•+-C) Base Pair: A Density Functional Theory Study

PubMed Central

Kumar, Anil; Sevilla, Michael D.

2009-01-01

On one-electron oxidation all molecules including DNA bases become more acidic in nature. For the GC base pair experiments suggest that a facile proton transfer takes place in the G•+-C base pair from N1 of G•+ to N3 of cytosine. This intra-base pair proton transfer reaction has been extensively considered using theoretical methods for the gas phase and it is predicted that the proton transfer is slightly unfavorable in disagreement with experiment. In the present study, we consider the effect of the first hydration layer on the proton transfer reaction in G•+-C by the use of density functional theory (DFT), B3LYP/6-31+G** calculations of the G•+-C base pair in the presence of 6 and 11 water molecules. Under the influence of hydration of 11 waters, a facile proton transfer from N1 of G•+ to N3 of C is predicted. The zero point energy (ZPE) corrected forward and backward energy barriers, for the proton transfer from N1 of G•+ to N3 of C, was found to be 1.4 and 2.6 kcal/mol, respectively. The proton transferred G•-(H+)C + 11H2O was found to be 1.2 kcal/mol more stable than G•+-C + 11H2O in agreement with experiment. The present calculation demonstrates that the inclusion of the first hydration shell around G•+-C base pair has an important effect on the internal proton transfer energetics. PMID:19485319

Four-electron model for singlet and triplet excitation energy transfers with inclusion of coherence memory, inelastic tunneling and nuclear quantum effects

NASA Astrophysics Data System (ADS)

Suzuki, Yosuke; Ebina, Kuniyoshi; Tanaka, Shigenori

2016-08-01

A computational scheme to describe the coherent dynamics of excitation energy transfer (EET) in molecular systems is proposed on the basis of generalized master equations with memory kernels. This formalism takes into account those physical effects in electron-bath coupling system such as the spin symmetry of excitons, the inelastic electron tunneling and the quantum features of nuclear motions, thus providing a theoretical framework to perform an ab initio description of EET through molecular simulations for evaluating the spectral density and the temporal correlation function of electronic coupling. Some test calculations have then been carried out to investigate the dependence of exciton population dynamics on coherence memory, inelastic tunneling correlation time, magnitude of electronic coupling, quantum correction to temporal correlation function, reorganization energy and energy gap.

Linear model correction: A method for transferring a near-infrared multivariate calibration model without standard samples.

PubMed

Liu, Yan; Cai, Wensheng; Shao, Xueguang

2016-12-05

Calibration transfer is essential for practical applications of near infrared (NIR) spectroscopy because the measurements of the spectra may be performed on different instruments and the difference between the instruments must be corrected. For most of calibration transfer methods, standard samples are necessary to construct the transfer model using the spectra of the samples measured on two instruments, named as master and slave instrument, respectively. In this work, a method named as linear model correction (LMC) is proposed for calibration transfer without standard samples. The method is based on the fact that, for the samples with similar physical and chemical properties, the spectra measured on different instruments are linearly correlated. The fact makes the coefficients of the linear models constructed by the spectra measured on different instruments are similar in profile. Therefore, by using the constrained optimization method, the coefficients of the master model can be transferred into that of the slave model with a few spectra measured on slave instrument. Two NIR datasets of corn and plant leaf samples measured with different instruments are used to test the performance of the method. The results show that, for both the datasets, the spectra can be correctly predicted using the transferred partial least squares (PLS) models. Because standard samples are not necessary in the method, it may be more useful in practical uses. Copyright © 2016 Elsevier B.V. All rights reserved.

Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states

NASA Astrophysics Data System (ADS)

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

2017-11-01

The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in this work to ghost-interaction-corrected (GIC) range-separated ensemble density-functional theory (eDFT) for excited states. While standard extrapolations rely on energies that decay as μ-2 in the large range-separation-parameter μ limit, we show analytically that (approximate) range-separated GIC ensemble energies converge more rapidly (as μ-3) towards their pure wavefunction theory values (μ → +∞ limit), thus requiring a different extrapolation correction. The purpose of such a correction is to further improve on the convergence and, consequently, to obtain more accurate excitation energies for a finite (and, in practice, relatively small) μ value. As a proof of concept, we apply the extrapolation method to He and small molecular systems (viz., H2, HeH+, and LiH), thus considering different types of excitations such as Rydberg, charge transfer, and double excitations. Potential energy profiles of the first three and four singlet Σ+ excitation energies in HeH+ and H2, respectively, are studied with a particular focus on avoided crossings for the latter. Finally, the extraction of individual state energies from the ensemble energy is discussed in the context of range-separated eDFT, as a perspective.

Evaluation of a 3D local multiresolution algorithm for the correction of partial volume effects in positron emission tomography.

PubMed

Le Pogam, Adrien; Hatt, Mathieu; Descourt, Patrice; Boussion, Nicolas; Tsoumpas, Charalampos; Turkheimer, Federico E; Prunier-Aesch, Caroline; Baulieu, Jean-Louis; Guilloteau, Denis; Visvikis, Dimitris

2011-09-01

Partial volume effects (PVEs) are consequences of the limited spatial resolution in emission tomography leading to underestimation of uptake in tissues of size similar to the point spread function (PSF) of the scanner as well as activity spillover between adjacent structures. Among PVE correction methodologies, a voxel-wise mutual multiresolution analysis (MMA) was recently introduced. MMA is based on the extraction and transformation of high resolution details from an anatomical image (MR/CT) and their subsequent incorporation into a low-resolution PET image using wavelet decompositions. Although this method allows creating PVE corrected images, it is based on a 2D global correlation model, which may introduce artifacts in regions where no significant correlation exists between anatomical and functional details. A new model was designed to overcome these two issues (2D only and global correlation) using a 3D wavelet decomposition process combined with a local analysis. The algorithm was evaluated on synthetic, simulated and patient images, and its performance was compared to the original approach as well as the geometric transfer matrix (GTM) method. Quantitative performance was similar to the 2D global model and GTM in correlated cases. In cases where mismatches between anatomical and functional information were present, the new model outperformed the 2D global approach, avoiding artifacts and significantly improving quality of the corrected images and their quantitative accuracy. A new 3D local model was proposed for a voxel-wise PVE correction based on the original mutual multiresolution analysis approach. Its evaluation demonstrated an improved and more robust qualitative and quantitative accuracy compared to the original MMA methodology, particularly in the absence of full correlation between anatomical and functional information.

Evaluation of a 3D local multiresolution algorithm for the correction of partial volume effects in positron emission tomography

PubMed Central

Le Pogam, Adrien; Hatt, Mathieu; Descourt, Patrice; Boussion, Nicolas; Tsoumpas, Charalampos; Turkheimer, Federico E.; Prunier-Aesch, Caroline; Baulieu, Jean-Louis; Guilloteau, Denis; Visvikis, Dimitris

2011-01-01

Purpose Partial volume effects (PVE) are consequences of the limited spatial resolution in emission tomography leading to under-estimation of uptake in tissues of size similar to the point spread function (PSF) of the scanner as well as activity spillover between adjacent structures. Among PVE correction methodologies, a voxel-wise mutual multi-resolution analysis (MMA) was recently introduced. MMA is based on the extraction and transformation of high resolution details from an anatomical image (MR/CT) and their subsequent incorporation into a low resolution PET image using wavelet decompositions. Although this method allows creating PVE corrected images, it is based on a 2D global correlation model which may introduce artefacts in regions where no significant correlation exists between anatomical and functional details. Methods A new model was designed to overcome these two issues (2D only and global correlation) using a 3D wavelet decomposition process combined with a local analysis. The algorithm was evaluated on synthetic, simulated and patient images, and its performance was compared to the original approach as well as the geometric transfer matrix (GTM) method. Results Quantitative performance was similar to the 2D global model and GTM in correlated cases. In cases where mismatches between anatomical and functional information were present the new model outperformed the 2D global approach, avoiding artefacts and significantly improving quality of the corrected images and their quantitative accuracy. Conclusions A new 3D local model was proposed for a voxel-wise PVE correction based on the original mutual multi-resolution analysis approach. Its evaluation demonstrated an improved and more robust qualitative and quantitative accuracy compared to the original MMA methodology, particularly in the absence of full correlation between anatomical and functional information. PMID:21978037

The Recovery of Optical Quality after Laser Vision Correction

PubMed Central

Jung, Hyeong-Gi

2013-01-01

Purpose To evaluate the optical quality after laser in situ keratomileusis (LASIK) or serial photorefractive keratectomy (PRK) using a double-pass system and to follow the recovery of optical quality after laser vision correction. Methods This study measured the visual acuity, manifest refraction and optical quality before and one day, one week, one month, and three months after laser vision correction. Optical quality parameters including the modulation transfer function, Strehl ratio and intraocular scattering were evaluated with a double-pass system. Results This study included 51 eyes that underwent LASIK and 57 that underwent PRK. The optical quality three months post-surgery did not differ significantly between these laser vision correction techniques. Furthermore, the preoperative and postoperative optical quality did not differ significantly in either group. Optical quality recovered within one week after LASIK but took between one and three months to recover after PRK. The optical quality of patients in the PRK group seemed to recover slightly more slowly than their uncorrected distance visual acuity. Conclusions Optical quality recovers to the preoperative level after laser vision correction, so laser vision correction is efficacious for correcting myopia. The double-pass system is a useful tool for clinical assessment of optical quality. PMID:23908570

Reconstructive operations for the upper limb after brachial plexus palsy.

PubMed

Rühmann, Oliver; Schmolke, Stephan; Bohnsack, Michael; Carls, Jörg; Flamme, Christian; Wirth, Carl Joachim

2004-07-01

Limited function due to paralysis following brachial plexus lesions can be improved by secondary operations of the bony and soft tissue. Between April 1994 and December 2000, 109 patients suffering from arm-plexus lesions underwent a total of 144 reconstructive operations guided by our concept of integrated therapy. The average age at the time of surgery was 32 years (range: 15-59). The following operations were performed: shoulder arthrodesis (23), trapezius transfer (74), rotation osteotomy of humerus (9), triceps to biceps transposition (9), transposition of forearm flexors or extensors (8), latissimus transfer (7), pectoralis transfer (1), teres major transfer (1), transposition of flexor carpi ulnaris to the tendons of extensor digitorum (10), and wrist arthrodesis (2). Prospectively, in all patients, the grade of muscle power of the affected upper extremity was evaluated prior to surgery. The follow-up period for all 144 operations was, on average, 22 months (range: 6-74). By means of operative measures, almost all patients obtained an improvement of shoulder function (100%) and stability (>90%), elbow flexion (85%), and hand, finger, and thumb (100%). When muscles malfunction after brachial plexus lesions, one should take into account the individual neuromuscular defect, passive joint function, and bony deformities; different procedures such as muscle transpositions, arthrodeses, and corrective osteotomies can then be performed to improve function of the upper extremity. Each form of operative treatment presents patients with certain benefits and all are integrated into a total treatment plan for the affected extremity.

An Ab Initio Exciton Model Including Charge-Transfer Excited States

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

Li, Xin; Parrish, Robert M.; Liu, Fang

Here, the Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited statesmore » and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.« less

An Ab Initio Exciton Model Including Charge-Transfer Excited States

DOE PAGES

Li, Xin; Parrish, Robert M.; Liu, Fang; ...

2017-06-15

Here, the Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited statesmore » and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.« less

An Ab Initio Exciton Model Including Charge-Transfer Excited States.

PubMed

Li, Xin; Parrish, Robert M; Liu, Fang; Kokkila Schumacher, Sara I L; Martínez, Todd J

2017-08-08

The Frenkel exciton model is a useful tool for theoretical studies of multichromophore systems. We recently showed that the exciton model could be used to coarse-grain electronic structure in multichromophoric systems, focusing on singly excited exciton states [ Acc. Chem. Res. 2014 , 47 , 2857 - 2866 ]. However, our previous implementation excluded charge-transfer excited states, which can play an important role in light-harvesting systems and near-infrared optoelectronic materials. Recent studies have also emphasized the significance of charge-transfer in singlet fission, which mediates the coupling between the locally excited states and the multiexcitonic states. In this work, we report on an ab initio exciton model that incorporates charge-transfer excited states and demonstrate that the model provides correct charge-transfer excitation energies and asymptotic behavior. Comparison with TDDFT and EOM-CC2 calculations shows that our exciton model is robust with respect to system size, screening parameter, and different density functionals. Inclusion of charge-transfer excited states makes the exciton model more useful for studies of singly excited states and provides a starting point for future construction of a model that also includes double-exciton states.

The radiometer transfer function for the AAFE composite two-frequency radiometer scatterometer. M.S. Thesis - Pennsylvania Univ.

NASA Technical Reports Server (NTRS)

Moore, J. H.

1973-01-01

A model was developed for the switching radiometer utilizing a continuous method of calibration. Sources of system degradation were identified and include losses and voltage standing wave ratios in front of the receiver input. After computing the three modes of operation, expressions were developed for the normalized radiometer output, the minimum detectable signal (normalized RMS temperature fluctuation), sensitivity, and accuracy correction factors).

Functional definition and design of a USDA system

NASA Technical Reports Server (NTRS)

Evans, S. M.; Dario, E. R.; Dickinson, G. L. (Principal Investigator)

1979-01-01

The fundamental definition and design of a U.S.D.A. system utilizing the LACIE technology avaliable as of June 1976, is discussed. The organization and methods described are focused on LACIE technology in terms of its transfer for use applications. The simulation of a feasible system design provided timely answers to system design questions, such as the ability of a minicomputer to handle the proposed geometrical correction of MSS data.

Describing long-range charge-separation processes with subsystem density-functional theory

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

Solovyeva, Alisa; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu

2014-04-28

Long-range charge-transfer processes in extended systems are difficult to describe with quantum chemical methods. In particular, cost-effective (non-hybrid) approximations within time-dependent density functional theory (DFT) are not applicable unless special precautions are taken. Here, we show that the efficient subsystem DFT can be employed as a constrained DFT variant to describe the energetics of long-range charge-separation processes. A formal analysis of the energy components in subsystem DFT for such excitation energies is presented, which demonstrates that both the distance dependence and the long-range limit are correctly described. In addition, electronic couplings for these processes as needed for rate constants inmore » Marcus theory can be obtained from this method. It is shown that the electronic structure of charge-separated states constructed by a positively charged subsystem interacting with a negatively charged one is difficult to converge — charge leaking from the negative subsystem to the positive one can occur. This problem is related to the delocalization error in DFT and can be overcome with asymptotically correct exchange–correlation (XC) potentials or XC potentials including a sufficiently large amount of exact exchange. We also outline an approximate way to obtain charge-transfer couplings between locally excited and charge-separated states.« less

Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C

NASA Astrophysics Data System (ADS)

Witte, Jonathon; Neaton, Jeffrey B.; Head-Gordon, Martin

2017-06-01

With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which—when stripped of BSSE—is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals—such as B97M-V—to recover large-basis results at a fraction of the cost.

Bidirectional reflectance function in coastal waters: modeling and validation

NASA Astrophysics Data System (ADS)

Gilerson, Alex; Hlaing, Soe; Harmel, Tristan; Tonizzo, Alberto; Arnone, Robert; Weidemann, Alan; Ahmed, Samir

2011-11-01

The current operational algorithm for the correction of bidirectional effects from the satellite ocean color data is optimized for typical oceanic waters. However, versions of bidirectional reflectance correction algorithms, specifically tuned for typical coastal waters and other case 2 conditions, are particularly needed to improve the overall quality of those data. In order to analyze the bidirectional reflectance distribution function (BRDF) of case 2 waters, a dataset of typical remote sensing reflectances was generated through radiative transfer simulations for a large range of viewing and illumination geometries. Based on this simulated dataset, a case 2 water focused remote sensing reflectance model is proposed to correct above-water and satellite water leaving radiance data for bidirectional effects. The proposed model is first validated with a one year time series of in situ above-water measurements acquired by collocated multi- and hyperspectral radiometers which have different viewing geometries installed at the Long Island Sound Coastal Observatory (LISCO). Match-ups and intercomparisons performed on these concurrent measurements show that the proposed algorithm outperforms the algorithm currently in use at all wavelengths.

Scaling violations of the proton structure function F2 at small x

NASA Astrophysics Data System (ADS)

Abt, I.; Ahmed, T.; Andreev, V.; Andrieu, B.; Appuhn, R.-D.; Arpagaus, M.; Babaev, A.; Bärwolff, H.; Bán, J.; Baranov, P.; Barrelet, E.; Bartel, W.; Bassler, U.; Beck, H. P.; Behrend, H.-J.; Belousov, A.; Berger, Ch.; Bergstein, H.; Bernardi, G.; Bernet, R.; Bertrand-Coremans, G.; Besançon, M.; Biddulph, P.; Binder, E.; Bischoff, A.; Bizot, J. C.; Blobel, V.; Borras, K.; Bosetti, P. C.; Boudry, V.; Bourdarios, C.; Brasse, F.; Braun, U.; Braunschweig, W.; Bruncko, D.; Büngener, L.; Bürger, J.; Büsser, F. W.; Buniatian, A.; Burke, S.; Buschhorn, G.; Campbell, A. J.; Carli, T.; Charles, F.; Clarke, D.; Clegg, A. B.; Colombo, M.; Coughlan, J. A.; Courau, A.; Coutures, Ch.; Cozzika, G.; Criegee, L.; Cvach, J.; Dagoret, S.; Dainton, J. B.; Danilov, M.; Dann, A. W. E.; Dau, W. D.; David, M.; Deffur, E.; Delcourt, B.; Del Buono, L.; Devel, M.; De Roeck, A.; Dingus, P.; Dollfus, C.; Dowell, J. D.; Dreis, H. B.; Drescher, A.; Duboc, J.; Düllmann, D.; Dünger, O.; Duhm, H.; Ebbinghaus, R.; Eberle, M.; Ebert, J.; Ebert, T. R.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eichenberger, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Ellis, N. N.; Ellison, R. J.; Elsen, E.; Erdmann, M.; Evrard, E.; Favart, L.; Fedotov, A.; Feeken, D.; Felst, R.; Feltesse, J.; Fensome, I. F.; Ferencei, J.; Ferrarotto, F.; Flamm, K.; Flauger, W.; Fleischer, M.; Flieser, M.; Flügge, G.; Fomenko, A.; Fominykh, B.; Forbush, M.; Formánek, J.; Foster, J. M.; Franke, G.; Fretwurst, E.; Fuhrmann, P.; Gabathuler, E.; Gamerdinger, K.; Garvey, J.; Gayler, J.; Gellrich, A.; Gennis, M.; Genzel, H.; Gerhards, R.; Godfrey, L.; Goerlach, U.; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Goodall, A. M.; Gorelov, I.; Goritchev, P.; Grab, C.; Grässler, H.; Grässler, R.; Greenshaw, T.; Greif, H.; Grindhammer, G.; Gruber, C.; Haack, J.; Hajduk, L.; Hamon, O.; Handschuh, D.; Hanlon, E. M.; Hapke, M.; Harjes, J.; Haydar, R.; Haynes, W. J.; Heatherington, J.; Hedberg, V.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herma, R.; Herynek, I.; Hildesheim, W.; Hill, P.; Hilton, C. D.; Hladký, J.; Hoeger, K. C.; Huet, Ph.; Hufnagel, H.; Huot, N.; Ibbotson, M.; Itterbeck, H.; Jabiol, M.-A.; Jacholkowska, A.; Jacobsson, C.; Jaffre, M.; Jansen, T.; Jönsson, L.; Johannsen, K.; Johnson, D. P.; Johnson, L.; Jung, H.; Kalmus, P. I. P.; Kasarian, S.; Kaschowitz, R.; Kasselmann, P.; Kathage, U.; Kaufmann, H. H.; Kenyon, I. R.; Kermiche, S.; Keuker, C.; Kiesling, C.; Klein, M.; Kleinwort, C.; Knies, G.; Ko, W.; Köhler, T.; Kolanoski, H.; Kole, F.; Kolya, S. D.; Korbel, V.; Korn, M.; Kostka, P.; Kotelnikov, S. K.; Krasny, M. W.; Krehbiel, H.; Krücker, D.; Krüger, U.; Kubenka, J. P.; Küster, H.; Kuhlen, M.; Kurča, T.; Kurzhöfer, J.; Kuznik, B.; Lacour, D.; Lamarche, F.; Lander, R.; Landon, M. P. J.; Lange, W.; Langkau, R.; Lanius, P.; Laporte, J. F.; Lebedev, A.; Leuschner, A.; Leverenz, C.; Levonian, S.; Lewin, D.; Ley, Ch.; Lindner, A.; Lindström, G.; Linsel, F.; Lipinski, J.; Loch, P.; Lohmander, H.; Lopez, G. C.; Lüers, D.; Magnussen, N.; Malinovski, E.; Mani, S.; Marage, P.; Marks, J.; Marshall, R.; Martens, J.; Martin, R.; Martyn, H.-U.; Martyniak, J.; Masson, S.; Mavroidis, A.; Maxfield, S. J.; McMahon, S. J.; Mehta, A.; Meier, K.; Mercer, D.; Merz, T.; Meyer, C. A.; Meyer, H.; Meyer, J.; Mikocki, S.; Milone, V.; Monnier, E.; Moreau, F.; Moreels, J.; Morris, J. V.; Müller, K.; Murín, P.; Murray, S. A.; Nagovizin, V.; Naroska, B.; Naumann, Th.; Newman, P. R.; Newton, D.; Neyret, D.; Nguyen, H. K.; Niebergall, F.; Niebuhr, C.; Nisius, R.; Nowak, G.; Noyes, G. W.; Nyberg, M.; Oberlack, H.; Obrock, U.; Olsson, J. E.; Orenstein, S.; Ould-Saada, F.; Pascaud, C.; Patel, G. D.; Peppel, E.; Peters, S.; Phillips, H. T.; Phillips, J. P.; Pichler, Ch.; Pilgram, W.; Pitzl, D.; Prell, S.; Prosi, R.; Rädel, G.; Raupach, F.; Rauschnabel, K.; Reimer, P.; Reinshagen, S.; Ribarics, P.; Riech, V.; Riedlberger, J.; Riess, S.; Rietz, M.; Robertson, S. M.; Robmann, P.; Roosen, R.; Rostovtsev, A.; Royon, C.; Rudowicz, M.; Ruffer, M.; Rusakov, S.; Rybicki, K.; Sahlmann, N.; Sanchez, E.; Sankey, D. P. C.; Savitsky, M.; Schacht, P.; Schleper, P.; von Schlippe, W.; Schmidt, C.; Schmidt, D.; Schmitz, W.; Schöning, A.; Schröder, V.; Schulz, M.; Schwab, B.; Schwind, A.; Scobel, W.; Seehausen, U.; Sell, R.; Semenov, A.; Shekelyan, V.; Sheviakov, I.; Shooshtari, H.; Shtarkov, L. N.; Siegmon, G.; Siewert, U.; Sirois, Y.; Skillicorn, I. O.; Smirnov, P.; Smith, J. R.; Smolik, L.; Soloviev, Y.; Spitzer, H.; Staroba, P.; Steenbock, M.; Steffen, P.; Steinberg, R.; Stella, B.; Stephens, K.; Stier, J.; Stösslein, U.; Strachota, J.; Straumann, U.; Struczinski, W.; Sutton, J. P.; Taylor, R. E.; Tchernyshov, V.; Thiebaux, C.; Thompson, G.; Tichomirov, I.; Truöl, P.; Turnau, J.; Tutas, J.; Urban, L.; Usik, A.; Valkar, S.; Valkarova, A.; Vallée, C.; Van Esch, P.; Vartapetian, A.; Vazdik, Y.; Vecko, M.; Verrecchia, P.; Vick, R.; Villet, G.; Vogel, E.; Wacker, K.; Walker, I. W.; Walther, A.; Weber, G.; Wegener, D.; Wegner, A.; Wellisch, H. P.; West, L. R.; Willard, S.; Winde, M.; Winter, G.-G.; Wolff, Th.; Womersley, L. A.; Wright, A. E.; Wulff, N.; Yiou, T. P.; Žáček, J.; Závada, P.; Zeitnitz, C.; Ziaeepour, H.; Zimmer, M.; Zimmermann, W.; Zomer, F.; H1 Collaboration

1994-01-01

An analysis is presented of scaling violations of the proton structure function F2( x, Q2) measured with the H1 detector at HERA in the range of Bjorken x values between x = 3 × 10 -4 and 10 -2 for four-momentum transfers Q> 2 larger than 8.7 GeV 2. The structure function F2( x, Q2) is observed to rise linearly with ln Q2. Under the assumption that the observed scaling violations at small x ⩽ 0.01 are described correctly by perturbative QCD, an estimate is obtained of the gluon distribution function G( x, Q02) at Q22 = 20 GeV 2.

Absolute calibration technique for broadband ultrasonic transducers

NASA Technical Reports Server (NTRS)

Yost, William T. (Inventor); Cantrell, John H. (Inventor)

1994-01-01

Calibrating an ultrasonic transducer can be performed with a reduced number of calculations and testing. A wide-band pulser is connected to an ultrasonic transducer under test to generate ultrasonic waves in a liquid. A single frequency is transmitted to the electrostatic acoustic transducer (ESAT) and the voltage change produced is monitored. Then a broadband ultrasonic pulse is generated by the ultrasonic transducer and received by the ESAT. The output of the ESAT is amplified and input to a digitized oscilloscope for fast Fourier transform. The resulting plot is normalized with the monitored signal from the single frequency pulse. The plot is then corrected for characteristics of the membrane and diffraction effects. The transfer function of the final plot is determined. The transfer function gives the final sensitivity of the ultrasonic transducer as a function of frequency. The advantage of the system is the speed of calibrating the transducer by a reduced number of measurements and removal of the membrane and diffraction effects.

Optimal spatial filtering and transfer function for SAR ocean wave spectra

NASA Technical Reports Server (NTRS)

Beal, R. C.; Tilley, D. G.

1981-01-01

The impulse response of the SAR system is not a delta function and the spectra represent the product of the underlying image spectrum with the transform of the impulse response which must be removed. A digitally computed spectrum of SEASAT imagery of the Atlantic Ocean east of Cape Hatteras was smoothed with a 5 x 5 convolution filter and the trend was sampled in a direction normal to the predominant wave direction. This yielded a transform of a noise-like process. The smoothed value of this trend is the transform of the impulse response. This trend is fit with either a second- or fourth-order polynomial which is then used to correct the entire spectrum. A 16 x 16 smoothing of the spectrum shows the presence of two distinct swells. Correction of the effects of speckle is effected by the subtraction of a bias from the spectrum.

Photoacoustic signal and noise analysis for Si thin plate: signal correction in frequency domain.

PubMed

Markushev, D D; Rabasović, M D; Todorović, D M; Galović, S; Bialkowski, S E

2015-03-01

Methods for photoacoustic signal measurement, rectification, and analysis for 85 μm thin Si samples in the 20-20 000 Hz modulation frequency range are presented. Methods for frequency-dependent amplitude and phase signal rectification in the presence of coherent and incoherent noise as well as distortion due to microphone characteristics are presented. Signal correction is accomplished using inverse system response functions deduced by comparing real to ideal signals for a sample with well-known bulk parameters and dimensions. The system response is a piece-wise construction, each component being due to a particular effect of the measurement system. Heat transfer and elastic effects are modeled using standard Rosencweig-Gersho and elastic-bending theories. Thermal diffusion, thermoelastic, and plasmaelastic signal components are calculated and compared to measurements. The differences between theory and experiment are used to detect and correct signal distortion and to determine detector and sound-card characteristics. Corrected signal analysis is found to faithfully reflect known sample parameters.

An Efficient Correction Algorithm for Eliminating Image Misalignment Effects on Co-Phasing Measurement Accuracy for Segmented Active Optics Systems

PubMed Central

Yue, Dan; Xu, Shuyan; Nie, Haitao; Wang, Zongyang

2016-01-01

The misalignment between recorded in-focus and out-of-focus images using the Phase Diversity (PD) algorithm leads to a dramatic decline in wavefront detection accuracy and image recovery quality for segmented active optics systems. This paper demonstrates the theoretical relationship between the image misalignment and tip-tilt terms in Zernike polynomials of the wavefront phase for the first time, and an efficient two-step alignment correction algorithm is proposed to eliminate these misalignment effects. This algorithm processes a spatial 2-D cross-correlation of the misaligned images, revising the offset to 1 or 2 pixels and narrowing the search range for alignment. Then, it eliminates the need for subpixel fine alignment to achieve adaptive correction by adding additional tip-tilt terms to the Optical Transfer Function (OTF) of the out-of-focus channel. The experimental results demonstrate the feasibility and validity of the proposed correction algorithm to improve the measurement accuracy during the co-phasing of segmented mirrors. With this alignment correction, the reconstructed wavefront is more accurate, and the recovered image is of higher quality. PMID:26934045

A vibration correction method for free-fall absolute gravimeters

NASA Astrophysics Data System (ADS)

Qian, J.; Wang, G.; Wu, K.; Wang, L. J.

2018-02-01

An accurate determination of gravitational acceleration, usually approximated as 9.8 m s-2, has been playing an important role in the areas of metrology, geophysics, and geodetics. Absolute gravimetry has been experiencing rapid developments in recent years. Most absolute gravimeters today employ a free-fall method to measure gravitational acceleration. Noise from ground vibration has become one of the most serious factors limiting measurement precision. Compared to vibration isolators, the vibration correction method is a simple and feasible way to reduce the influence of ground vibrations. A modified vibration correction method is proposed and demonstrated. A two-dimensional golden section search algorithm is used to search for the best parameters of the hypothetical transfer function. Experiments using a T-1 absolute gravimeter are performed. It is verified that for an identical group of drop data, the modified method proposed in this paper can achieve better correction effects with much less computation than previous methods. Compared to vibration isolators, the correction method applies to more hostile environments and even dynamic platforms, and is expected to be used in a wider range of applications.

Ground temperature measurement by PRT-5 for maps experiment

NASA Technical Reports Server (NTRS)

Gupta, S. K.; Tiwari, S. N.

1978-01-01

A simple algorithm and computer program were developed for determining the actual surface temperature from the effective brightness temperature as measured remotely by a radiation thermometer called PRT-5. This procedure allows the computation of atmospheric correction to the effective brightness temperature without performing detailed radiative transfer calculations. Model radiative transfer calculations were performed to compute atmospheric corrections for several values of the surface and atmospheric parameters individually and in combination. Polynomial regressions were performed between the magnitudes or deviations of these parameters and the corresponding computed corrections to establish simple analytical relations between them. Analytical relations were also developed to represent combined correction for simultaneous variation of parameters in terms of their individual corrections.

Tunneling of heat: Beyond linear response regime

NASA Astrophysics Data System (ADS)

Walczak, Kamil; Saroka, David

2018-02-01

We examine nanoscale processes of heat (energy) transfer as carried by electrons tunneling via potential barriers and molecular interconnects between two heat reservoirs (thermal baths). For that purpose, we use Landauer-type formulas to calculate thermal conductance and quadratic correction to heat flux flowing via quantum systems. As an input, we implement analytical expressions for transmission functions related to simple potential barriers and atomic bridges. Our results are discussed with respect to energy of tunneling electrons, temperature, the presence of resonant states, and specific parameters characterizing potential barriers as well as heat carriers. The simplicity of semi-analytical models developed by us allows to fit experimental data and extract crucial information about the values of model parameters. Further investigations are expected for more realistic transmission functions, while time-dependent aspects of nanoscale heat transfer may be addressed by using the concept of wave packets scattered on potential barriers and point-like defects within regular (periodic) nanostructures.

Site correction of a high-frequency strong-ground-motion simulation based on an empirical transfer function

NASA Astrophysics Data System (ADS)

Huang, Jyun-Yan; Wen, Kuo-Liang; Lin, Che-Min; Kuo, Chun-Hsiang; Chen, Chun-Te; Chang, Shuen-Chiang

2017-05-01

In this study, an empirical transfer function (ETF), which is the spectrum difference in Fourier amplitude spectra between observed strong ground motion and synthetic motion obtained by a stochastic point-source simulation technique, is constructed for the Taipei Basin, Taiwan. The basis stochastic point-source simulations can be treated as reference rock site conditions in order to consider site effects. The parameters of the stochastic point-source approach related to source and path effects are collected from previous well-verified studies. A database of shallow, small-magnitude earthquakes is selected to construct the ETFs so that the point-source approach for synthetic motions might be more widely applicable. The high-frequency synthetic motion obtained from the ETF procedure is site-corrected in the strong site-response area of the Taipei Basin. The site-response characteristics of the ETF show similar responses as in previous studies, which indicates that the base synthetic model is suitable for the reference rock conditions in the Taipei Basin. The dominant frequency contour corresponds to the shape of the bottom of the geological basement (the top of the Tertiary period), which is the Sungshan formation. Two clear high-amplification areas are identified in the deepest region of the Sungshan formation, as shown by an amplification contour of 0.5 Hz. Meanwhile, a high-amplification area was shifted to the basin's edge, as shown by an amplification contour of 2.0 Hz. Three target earthquakes with different kinds of source conditions, including shallow small-magnitude events, shallow and relatively large-magnitude events, and deep small-magnitude events relative to the ETF database, are tested to verify site correction. The results indicate that ETF-based site correction is effective for shallow earthquakes, even those with higher magnitudes, but is not suitable for deep earthquakes. Finally, one of the most significant shallow large-magnitude earthquakes (the 1999 Chi-Chi earthquake in Taiwan) is verified in this study. A finite fault stochastic simulation technique is applied, owing to the complexity of the fault rupture process for the Chi-Chi earthquake, and the ETF-based site-correction function is multiplied to obtain a precise simulation of high-frequency (up to 10 Hz) strong motions. The high-frequency prediction has good agreement in both time and frequency domain in this study, and the prediction level is the same as that predicted by the site-corrected ground motion prediction equation.

USSR and Eastern Europe Scientific Abstracts, Geophysics, Astronomy and Space, Number 428.

DTIC Science & Technology

1978-09-05

pp 35-37 [Article by L. P. Pakhmutov, "Influence of Error in Representing Figure of Geoid in Evaluating Geocentric Position of Artificial Earth...the Runge- Kutta method. The magnitude of the error in the geocentric radius of the satellite is expressed as a function of the corrections in...planetocentrlc and geocentric coordinate systems which makes it possible to form matrices describing transfer between planets using a single algorithm

Improving Core Strength to Prevent Injury

ERIC Educational Resources Information Center

Oliver, Gretchen D.; Adams-Blair, Heather R.

2010-01-01

Regardless of the sport or skill, it is essential to have correct biomechanical positioning, or postural control, in order to maximize energy transfer. Correct postural control requires a strong, stable core. A strong and stable core allows one to transfer energy effectively as well as reduce undue stress. An unstable or weak core, on the other…

77 FR 61583 - Privacy Act of 1974; System of Records; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-10

... A0351 AMC, Student/Faculty Records: AMC Schools Systems, as the records had been transferred to the... discovered that the records had not yet been transferred to TRADOC. Therefore, the DOA systems of records notice cannot be deleted at this time. DATES: This correction is effective October 10, 2012. FOR FURTHER...

On total turbulent energy and the passive and active role of buoyancy in turbulent momentum and mass transfer.

PubMed

de Nijs, Michel A J; Pietrzak, Julie D

Measurements of turbulent fluctuations of horizontal and vertical components of velocity, salinity and suspended particulate matter are presented. Turbulent Prandtl numbers are found to increase with stratification and to become larger than 1. Consequently, the vertical turbulent mass transport is suppressed by buoyancy forces, before the turbulent kinetic energy (TKE) and vertical turbulent momentum exchange are inhibited. With increasing stratification, the buoyancy fluxes do not cease, instead they become countergradient. We find that buoyantly driven motions play an active role in the transfer of mass. This is in agreement with trends derived from Monin-Obukhov scaling. For positive Richardson flux numbers (Ri f ), the log velocity profile in the near-bed layer requires correction with a drag reduction. For negative Ri f , the log velocity profile should be corrected with a drag increase, with increasing |Ri f |. This highlights the active role played by buoyancy in momentum transfer and the production of TKE. However, the data do not appear to entirely follow Monin-Obukhov scaling. This is consistent with the notion that the turbulence field is not in equilibrium. The large stratification results in the decay of turbulence and countergradient buoyancy fluxes act to restore equilibrium in the energy budget. This implies that there is a finite adjustment timescale of the turbulence field to changes in velocity shear and density stratification. The energy transfers associated with the source and sink function of the buoyancy flux can be modeled with the concept of total turbulent energy.

Information theory and robotics meet to study predator-prey interactions

NASA Astrophysics Data System (ADS)

Neri, Daniele; Ruberto, Tommaso; Cord-Cruz, Gabrielle; Porfiri, Maurizio

2017-07-01

Transfer entropy holds promise to advance our understanding of animal behavior, by affording the identification of causal relationships that underlie animal interactions. A critical step toward the reliable implementation of this powerful information-theoretic concept entails the design of experiments in which causal relationships could be systematically controlled. Here, we put forward a robotics-based experimental approach to test the validity of transfer entropy in the study of predator-prey interactions. We investigate the behavioral response of zebrafish to a fear-evoking robotic stimulus, designed after the morpho-physiology of the red tiger oscar and actuated along preprogrammed trajectories. From the time series of the positions of the zebrafish and the robotic stimulus, we demonstrate that transfer entropy correctly identifies the influence of the stimulus on the focal subject. Building on this evidence, we apply transfer entropy to study the interactions between zebrafish and a live red tiger oscar. The analysis of transfer entropy reveals a change in the direction of the information flow, suggesting a mutual influence between the predator and the prey, where the predator adapts its strategy as a function of the movement of the prey, which, in turn, adjusts its escape as a function of the predator motion. Through the integration of information theory and robotics, this study posits a new approach to study predator-prey interactions in freshwater fish.

An analytical derivation of MC-SCF vibrational wave functions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains

NASA Astrophysics Data System (ADS)

Drukker, Karen; Hammes-Schiffer, Sharon

1997-07-01

This paper presents an analytical derivation of a multiconfigurational self-consistent-field (MC-SCF) solution of the time-independent Schrödinger equation for nuclear motion (i.e. vibrational modes). This variational MC-SCF method is designed for the mixed quantum/classical molecular dynamics simulation of multiple proton transfer reactions, where the transferring protons are treated quantum mechanically while the remaining degrees of freedom are treated classically. This paper presents a proof that the Hellmann-Feynman forces on the classical degrees of freedom are identical to the exact forces (i.e. the Pulay corrections vanish) when this MC-SCF method is used with an appropriate choice of basis functions. This new MC-SCF method is applied to multiple proton transfer in a protonated chain of three hydrogen-bonded water molecules. The ground state and the first three excited state energies and the ground state forces agree well with full configuration interaction calculations. Sample trajectories are obtained using adiabatic molecular dynamics methods, and nonadiabatic effects are found to be insignificant for these sample trajectories. The accuracy of the excited states will enable this MC-SCF method to be used in conjunction with nonadiabatic molecular dynamics methods. This application differs from previous work in that it is a real-time quantum dynamical nonequilibrium simulation of multiple proton transfer in a chain of water molecules.

Ultra-high resolution computed tomography imaging

DOEpatents

Paulus, Michael J.; Sari-Sarraf, Hamed; Tobin, Jr., Kenneth William; Gleason, Shaun S.; Thomas, Jr., Clarence E.

2002-01-01

A method for ultra-high resolution computed tomography imaging, comprising the steps of: focusing a high energy particle beam, for example x-rays or gamma-rays, onto a target object; acquiring a 2-dimensional projection data set representative of the target object; generating a corrected projection data set by applying a deconvolution algorithm, having an experimentally determined a transfer function, to the 2-dimensional data set; storing the corrected projection data set; incrementally rotating the target object through an angle of approximately 180.degree., and after each the incremental rotation, repeating the radiating, acquiring, generating and storing steps; and, after the rotating step, applying a cone-beam algorithm, for example a modified tomographic reconstruction algorithm, to the corrected projection data sets to generate a 3-dimensional image. The size of the spot focus of the beam is reduced to not greater than approximately 1 micron, and even to not greater than approximately 0.5 microns.

Benchmarking Quantum Mechanics/Molecular Mechanics (QM/MM) Methods on the Thymidylate Synthase-Catalyzed Hydride Transfer.

PubMed

Świderek, Katarzyna; Arafet, Kemel; Kohen, Amnon; Moliner, Vicent

2017-03-14

Given the ubiquity of hydride-transfer reactions in enzyme-catalyzed processes, identifying the appropriate computational method for evaluating such biological reactions is crucial to perform theoretical studies of these processes. In this paper, the hydride-transfer step catalyzed by thymidylate synthase (TSase) is studied by examining hybrid quantum mechanics/molecular mechanics (QM/MM) potentials via multiple semiempirical methods and the M06-2X hybrid density functional. Calculations of protium and tritium transfer in these reactions across a range of temperatures allowed calculation of the temperature dependence of kinetic isotope effects (KIE). Dynamics and quantum-tunneling effects are revealed to have little effect on the reaction rate, but are significant in determining the KIEs and their temperature dependence. A good agreement with experiments is found, especially when computed for RM1/MM simulations. The small temperature dependence of quantum tunneling corrections and the quasiclassical contribution term cancel each other, while the recrossing transmission coefficient seems to be temperature-independent over the interval of 5-40 °C.

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

PubMed

Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

2015-04-30

The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

Tackling force-field bias in protein folding simulations: folding of Villin HP35 and Pin WW domains in explicit water.

PubMed

Mittal, Jeetain; Best, Robert B

2010-08-04

The ability to fold proteins on a computer has highlighted the fact that existing force fields tend to be biased toward a particular type of secondary structure. Consequently, force fields for folding simulations are often chosen according to the native structure, implying that they are not truly "transferable." Here we show that, while the AMBER ff03 potential is known to favor helical structures, a simple correction to the backbone potential (ff03( *)) results in an unbiased energy function. We take as examples the 35-residue alpha-helical Villin HP35 and 37 residue beta-sheet Pin WW domains, which had not previously been folded with the same force field. Starting from unfolded configurations, simulations of both proteins in Amber ff03( *) in explicit solvent fold to within 2.0 A RMSD of the experimental structures. This demonstrates that a simple backbone correction results in a more transferable force field, an important requirement if simulations are to be used to interpret folding mechanism. 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Initiation of viral RNA-dependent RNA polymerization.

PubMed

van Dijk, Alberdina A; Makeyev, Eugene V; Bamford, Dennis H

2004-05-01

This review summarizes the combined insights from recent structural and functional studies of viral RNA-dependent RNA polymerases (RdRPs) with the primary focus on the mechanisms of initiation of RNA synthesis. Replication of RNA viruses has traditionally been approached using a combination of biochemical and genetic methods. Recently, high-resolution structures of six viral RdRPs have been determined. For three RdRPs, enzyme complexes with metal ions, single-stranded RNA and/or nucleoside triphosphates have also been solved. These advances have expanded our understanding of the molecular mechanisms of viral RNA synthesis and facilitated further RdRP studies by informed site-directed mutagenesis. What transpires is that the basic polymerase right hand shape provides the correct geometrical arrangement of substrate molecules and metal ions at the active site for the nucleotidyl transfer catalysis, while distinct structural elements have evolved in the different systems to ensure efficient initiation of RNA synthesis. These elements feed the template, NTPs and ions into the catalytic cavity, correctly position the template 3' terminus, transfer the products out of the catalytic site and orchestrate the transition from initiation to elongation.

Development and application of a water calorimeter for the absolute dosimetry of short-range particle beams.

PubMed

Renaud, J; Rossomme, S; Sarfehnia, A; Vynckier, S; Palmans, H; Kacperek, A; Seuntjens, J

2016-09-21

In this work, we describe a new design of water calorimeter built to measure absorbed dose in non-standard radiation fields with reference depths in the range of 6-20 mm, and its initial testing in clinical electron and proton beams. A functioning calorimeter prototype with a total water equivalent thickness of less than 30 mm was constructed in-house and used to obtain measurements in clinical accelerator-based 6 MeV and 8 MeV electron beams and cyclotron-based 60 MeV monoenergetic and modulated proton beams. Corrections for the conductive heat transfer due to dose gradients and non-water materials was also accounted for using a commercial finite element method software package. Absorbed dose to water was measured with an associated type A standard uncertainty of approximately 0.4% and 0.2% for the electron and proton beam experiments, respectively. In terms of thermal stability, drifts were on the order of a couple of hundred µK min -1 , with a short-term variation of 5-10 µK. Heat transfer correction factors ranged between 1.021 and 1.049. The overall combined standard uncertainty on the absorbed dose to water was estimated to be 0.6% for the 6 MeV and 8 MeV electron beams, as well as for the 60 MeV monoenergetic protons, and 0.7% for the modulated 60 MeV proton beam. This study establishes the feasibility of developing an absorbed dose transfer standard for short-range clinical electrons and protons and forms the basis for a transportable dose standard for direct calibration of ionization chambers in the user's beam. The largest contributions to the combined standard uncertainty were the positioning (⩽0.5%) and the correction due to conductive heat transfer (⩽0.4%). This is the first time that water calorimetry has been used in such a low energy proton beam.

Development and application of a water calorimeter for the absolute dosimetry of short-range particle beams

NASA Astrophysics Data System (ADS)

Renaud, J.; Rossomme, S.; Sarfehnia, A.; Vynckier, S.; Palmans, H.; Kacperek, A.; Seuntjens, J.

2016-09-01

In this work, we describe a new design of water calorimeter built to measure absorbed dose in non-standard radiation fields with reference depths in the range of 6-20 mm, and its initial testing in clinical electron and proton beams. A functioning calorimeter prototype with a total water equivalent thickness of less than 30 mm was constructed in-house and used to obtain measurements in clinical accelerator-based 6 MeV and 8 MeV electron beams and cyclotron-based 60 MeV monoenergetic and modulated proton beams. Corrections for the conductive heat transfer due to dose gradients and non-water materials was also accounted for using a commercial finite element method software package. Absorbed dose to water was measured with an associated type A standard uncertainty of approximately 0.4% and 0.2% for the electron and proton beam experiments, respectively. In terms of thermal stability, drifts were on the order of a couple of hundred µK min-1, with a short-term variation of 5-10 µK. Heat transfer correction factors ranged between 1.021 and 1.049. The overall combined standard uncertainty on the absorbed dose to water was estimated to be 0.6% for the 6 MeV and 8 MeV electron beams, as well as for the 60 MeV monoenergetic protons, and 0.7% for the modulated 60 MeV proton beam. This study establishes the feasibility of developing an absorbed dose transfer standard for short-range clinical electrons and protons and forms the basis for a transportable dose standard for direct calibration of ionization chambers in the user’s beam. The largest contributions to the combined standard uncertainty were the positioning (⩽0.5%) and the correction due to conductive heat transfer (⩽0.4%). This is the first time that water calorimetry has been used in such a low energy proton beam.

The structure of control and data transfer management system for the GAMMA-400 scientific complex

NASA Astrophysics Data System (ADS)

Arkhangelskiy, A. I.; Bobkov, S. G.; Serdin, O. V.; Gorbunov, M. S.; Topchiev, N. P.

2016-02-01

A description of the control and data transfer management system for scientific instrumentation involved in the GAMMA-400 space project is given. The technical capabilities of all specialized equipment to provide the functioning of the scientific instrumentation and satellite support systems are unified in a single structure. Control of the scientific instruments is maintained using one-time pulse radio commands, as well as program commands in the form of 16-bit code words, which are transmitted via onboard control system and scientific data acquisition system. Up to 100 GByte of data per day can be transferred to the ground segment of the project. The correctness of the proposed and implemented structure, engineering solutions and electronic elemental base selection has been verified by the experimental working-off of the prototype of the GAMMA-400 scientific complex in laboratory conditions.

Application of biomechanics to tendon transfers.

PubMed

Hoard, A S; Bell-Krotoski, J A; Mathews, R

1995-01-01

This article has focused on considerations important in the application of biomechanics to tendon transfers and has used an example protocol. Different surgeries require different protocols. What is most important is that specific protocols are used, and that they are both safe and effective. The communication among the therapist, surgeon, and patient is essential with the use of any protocol. As Brand has stated, "A hand is a very personal thing. It is the interface between the patient and his or her world. It is an emblem of strength, beauty, skill, sexuality, and sensibility. When it is damaged it becomes a symbol of the vulnerability of the whole person." For the patient who has damage from nerve palsy, paralysis, or injury resulting in a dysfunctional hand, a tendon transfer procedure may prove to be a viable option to restore balance and function, especially if the biomechanics of deformity and correction are considered.

Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state.

PubMed

Sukhomlinov, Sergey V; Müser, Martin H

2015-12-14

In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, P(C) ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state

NASA Astrophysics Data System (ADS)

Sukhomlinov, Sergey V.; Müser, Martin H.

2015-12-01

In this work, we study how including charge transfer into force fields affects the predicted elastic and vibrational Γ-point properties of ionic crystals, in particular those of rock salt. In both analytical and numerical calculations, we find that charge transfer generally leads to a negative contribution to the Cauchy pressure, PC ≡ C12 - C66, where C12 and C66 are elements of the elastic tensor. This contribution increases in magnitude with pressure for different charge-transfer approaches in agreement with results obtained with density functional theory (DFT). However, details of the charge-transfer models determine the pressure dependence of the longitudinal optical-transverse optical splitting and that for partial charges. These last two quantities increase with density as long as the chemical hardness depends at most weakly on the environment while experiments and DFT find a decrease. In order to reflect the correct trends, the charge-transfer expansion has to be made around ions and the chemical (bond) hardness has to increase roughly exponentially with inverse density or bond lengths. Finally, the adjustable force-field parameters only turn out meaningful, when the expansion is made around ions.

Hydrogen bonding in malonaldehyde: a density functional and reparametrized semiempirical approach

NASA Astrophysics Data System (ADS)

Kovačević, Goran; Hrenar, Tomica; Došlić, Nadja

2003-08-01

Intramolecular proton transfer in malonaldehyde (MA) has been investigated by density functional theory (DFT). The DFT results were used for the construction of a high quality semiempirical potential energy surface with a reparametrized PM3 Hamiltonian. A two-step reparameterization procedure is proposed in which (i) the PM3-MAIS core-core functions for the O-H and H-H interactions were used and a new functional form for the O-O correction function was proposed and (ii) a set of specific reaction parameters (SRP) has been obtained via genetic algorithm optimization. The quality of the reparametrized semiempirical potential energy surfaces was tested by calculating the tunneling splitting of vibrational levels and the anharmonic vibrational frequencies of the system. The applicability to multi-dimensional dynamics in large molecular systems is discussed.

Design of retinal-projection-based near-eye display with contact lens.

PubMed

Wu, Yuhang; Chen, Chao Ping; Mi, Lantian; Zhang, Wenbo; Zhao, Jingxin; Lu, Yifan; Guo, Weiqian; Yu, Bing; Li, Yang; Maitlo, Nizamuddin

2018-04-30

We propose a design of a retinal-projection-based near-eye display for achieving ultra-large field of view, vision correction, and occlusion. Our solution is highlighted by a contact lens combo, a transparent organic light-emitting diode panel, and a twisted nematic liquid crystal panel. Its design rules are set forth in detail, followed by the results and discussion regarding the field of view, angular resolution, modulation transfer function, contrast ratio, distortion, and simulated imaging.

Theory and Implementation of a VLSI Stray Insensitive Switched Capacitor Composite Operational Amplifier

DTIC Science & Technology

1994-06-01

to the simulations, we get a proof of correct concept that matches the mathematical foundation of the microchip. 108 Vill. APPLICATIONS A. WHERE AND...ORGANIZATION (if applicable ) 8c. ADDRESS (City, State, and ZIP Code) 10. SOURCE OF FUNDING NUMBERS Ivogru Elewwn No. Pro8a No. Task No. Wor Unit Acess L...necessary and identify by block number) ’ FIELD GROUP SUBGROUP Mathematical derivation of circuit transfer functions, Composite Operational Amplifiers

75 FR 24392 - Transferring Certain Enforcement Hotline Matters to the Dispute Resolution Service: Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-05

... the Commission's Dispute Resolution Service. This document corrects various Part references on the... Service: Correction AGENCY: Federal Energy Regulatory Commission. ACTION: Final Rule: correction. SUMMARY.../Dispute Resolution Service, Federal Energy Regulatory Commission, 888 First Street, NE., Washington, DC...

A fast iterative convolution weighting approach for gridding-based direct Fourier three-dimensional reconstruction with correction for the contrast transfer function.

PubMed

Abrishami, V; Bilbao-Castro, J R; Vargas, J; Marabini, R; Carazo, J M; Sorzano, C O S

2015-10-01

We describe a fast and accurate method for the reconstruction of macromolecular complexes from a set of projections. Direct Fourier inversion (in which the Fourier Slice Theorem plays a central role) is a solution for dealing with this inverse problem. Unfortunately, the set of projections provides a non-equidistantly sampled version of the macromolecule Fourier transform in the single particle field (and, therefore, a direct Fourier inversion) may not be an optimal solution. In this paper, we introduce a gridding-based direct Fourier method for the three-dimensional reconstruction approach that uses a weighting technique to compute a uniform sampled Fourier transform. Moreover, the contrast transfer function of the microscope, which is a limiting factor in pursuing a high resolution reconstruction, is corrected by the algorithm. Parallelization of this algorithm, both on threads and on multiple CPU's, makes the process of three-dimensional reconstruction even faster. The experimental results show that our proposed gridding-based direct Fourier reconstruction is slightly more accurate than similar existing methods and presents a lower computational complexity both in terms of time and memory, thereby allowing its use on larger volumes. The algorithm is fully implemented in the open-source Xmipp package and is downloadable from http://xmipp.cnb.csic.es. Copyright © 2015 Elsevier B.V. All rights reserved.

Intracellular metabolic pathway distribution in diatoms and tools for genome-enabled experimental diatom research.

PubMed

Gruber, Ansgar; Kroth, Peter G

2017-09-05

Diatoms are important primary producers in the oceans and can also dominate other aquatic habitats. One reason for the success of this phylogenetically relatively young group of unicellular organisms could be the impressive redundancy and diversity of metabolic isoenzymes in diatoms. This redundancy is a result of the evolutionary origin of diatom plastids by a eukaryote-eukaryote endosymbiosis, a process that implies temporary redundancy of functionally complete eukaryotic genomes. During the establishment of the plastids, this redundancy was partially reduced via gene losses, and was partially retained via gene transfer to the nucleus of the respective host cell. These gene transfers required re-assignment of intracellular targeting signals, a process that simultaneously altered the intracellular distribution of metabolic enzymes compared with the ancestral cells. Genome annotation, the correct assignment of the gene products and the prediction of putative function, strongly depends on the correct prediction of the intracellular targeting of a gene product. Here again diatoms are very peculiar, because the targeting systems for organelle import are partially different to those in land plants. In this review, we describe methods of predicting intracellular enzyme locations, highlight findings of metabolic peculiarities in diatoms and present genome-enabled approaches to study their metabolism.This article is part of the themed issue 'The peculiar carbon metabolism in diatoms'. © 2017 The Author(s).

Finite-size corrections to the excitation energy transfer in a massless scalar interaction model

NASA Astrophysics Data System (ADS)

Maeda, Nobuki; Yabuki, Tetsuo; Tobita, Yutaka; Ishikawa, Kenzo

2017-05-01

We study the excitation energy transfer (EET) for a simple model in which a massless scalar particle is exchanged between two molecules. We show that a finite-size effect appears in EET by the interaction energy due to overlapping of the quantum waves in a short time interval. The effect generates finite-size corrections to Fermi's golden rule and modifies EET probability from the standard formula in the Förster mechanism. The correction terms come from transition modes outside the resonance energy region and enhance EET probability substantially.

Insights on the interaction of Zn2 + cation with triazoles: Structures, bonding, electronic excitation and applications

NASA Astrophysics Data System (ADS)

Dahmani, R.; Ben Yaghlane, S.; Boughdiri, S.; Mogren Al-Mogren, M.; Prakash, M.; Hochlaf, M.

2018-03-01

At present, we investigate the structures, the stability, the bonding and the spectroscopy of the Zn2 +-triazole complexes (Zn2 +-Tz), which are subunits of triazolate based porous materials and Zn-enzymes. This theoretical work is performed using ab initio methods and density functional theory (DFT) where dispersion correction is included. Through these benchmarks, we establish the ability and reliability of M05-2X + D3 and PBE0 + D3 functionals for the correct description of Zn2 +-Tz bond since these DFTs lead to close agreement with post Hartree-Fock methods. Therefore, M05-2X + D3 and PBE0 + D3 functionals are recommended for the characterization of larger organometallic complexes formed by Zn and N-rich linkers. For Zn2 +-Tz, we found two stable σ-type complexes: (i) a planar structure where Zn2 + links to unprotonated nitrogen and (ii) an out-of-plane cluster where carbon interacts with Zn2 +. The most stable isomers consist on a coordinated covalent bond between the lone pair of unprotonated nitrogen and the vacant 4 s orbital of Zn2 +. The roles of covalent interactions within these complexes are discussed after vibrational, NBO, NPA charges and orbital analyses. The bonding is dominated by charge transfer from Zn2 + to Tz and intramolecular charge transfer, which plays a vital role for the catalytic activity of these complexes. These findings are important to understand, at the microscopic level, the structure and the bonding within triazolate based macromolecular porous materials and Zn-enzymes.

First-Principles Molecular Dynamics Simulations of NaCl in Water: Performance of Advanced Exchange-Correlation Approximations in Density Functional Theory

NASA Astrophysics Data System (ADS)

Yao, Yi; Kanai, Yosuke

Our ability to correctly model the association of oppositely charged ions in water is fundamental in physical chemistry and essential to various technological and biological applications of molecular dynamics (MD) simulations. MD simulations using classical force fields often show strong clustering of NaCl in the aqueous ionic solutions as a consequence of a deep contact pair minimum in the potential of mean force (PMF) curve. First-Principles Molecular Dynamics (FPMD) based on Density functional theory (DFT) with the popular PBE exchange-correlation approximation, on the other hand, show a different result with a shallow contact pair minimum in the PMF. We employed two of most promising exchange-correlation approximations, ωB97xv by Mardiorossian and Head-Gordon and SCAN by Sun, Ruzsinszky and Perdew, to examine the PMF using FPMD simulations. ωB97xv is highly empirically and optimized in the space of range-separated hybrid functional with a dispersion correction while SCAN is the most recent meta-GGA functional that is constructed by satisfying various known conditions in well-defined physical limits. We will discuss our findings for PMF, charge transfer, water dipoles, etc.

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.

PubMed

Narth, Christophe; Lagardère, Louis; Polack, Étienne; Gresh, Nohad; Wang, Qiantao; Bell, David R; Rackers, Joshua A; Ponder, Jay W; Ren, Pengyu Y; Piquemal, Jean-Philip

2016-02-15

We propose a general coupling of the Smooth Particle Mesh Ewald SPME approach for distributed multipoles to a short-range charge penetration correction modifying the charge-charge, charge-dipole and charge-quadrupole energies. Such an approach significantly improves electrostatics when compared to ab initio values and has been calibrated on Symmetry-Adapted Perturbation Theory reference data. Various neutral molecular dimers have been tested and results on the complexes of mono- and divalent cations with a water ligand are also provided. Transferability of the correction is adressed in the context of the implementation of the AMOEBA and SIBFA polarizable force fields in the TINKER-HP software. As the choices of the multipolar distribution are discussed, conclusions are drawn for the future penetration-corrected polarizable force fields highlighting the mandatory need of non-spurious procedures for the obtention of well balanced and physically meaningful distributed moments. Finally, scalability and parallelism of the short-range corrected SPME approach are addressed, demonstrating that the damping function is computationally affordable and accurate for molecular dynamics simulations of complex bio- or bioinorganic systems in periodic boundary conditions. Copyright © 2016 Wiley Periodicals, Inc.

28 CFR 523.13 - Community corrections center good time.

Code of Federal Regulations, 2011 CFR

2011-07-01

... ADMISSION, CLASSIFICATION, AND TRANSFER COMPUTATION OF SENTENCE Extra Good Time § 523.13 Community corrections center good time. Extra good time for an inmate in a Federal or contract Community Corrections... 28 Judicial Administration 2 2011-07-01 2011-07-01 false Community corrections center good time...

28 CFR 523.13 - Community corrections center good time.

Code of Federal Regulations, 2010 CFR

2010-07-01

... ADMISSION, CLASSIFICATION, AND TRANSFER COMPUTATION OF SENTENCE Extra Good Time § 523.13 Community corrections center good time. Extra good time for an inmate in a Federal or contract Community Corrections... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Community corrections center good time...

28 CFR 523.13 - Community corrections center good time.

Code of Federal Regulations, 2014 CFR

2014-07-01

... ADMISSION, CLASSIFICATION, AND TRANSFER COMPUTATION OF SENTENCE Extra Good Time § 523.13 Community corrections center good time. Extra good time for an inmate in a Federal or contract Community Corrections... 28 Judicial Administration 2 2014-07-01 2014-07-01 false Community corrections center good time...

28 CFR 523.13 - Community corrections center good time.

Code of Federal Regulations, 2012 CFR

2012-07-01

... ADMISSION, CLASSIFICATION, AND TRANSFER COMPUTATION OF SENTENCE Extra Good Time § 523.13 Community corrections center good time. Extra good time for an inmate in a Federal or contract Community Corrections... 28 Judicial Administration 2 2012-07-01 2012-07-01 false Community corrections center good time...

28 CFR 523.13 - Community corrections center good time.

Code of Federal Regulations, 2013 CFR

2013-07-01

... ADMISSION, CLASSIFICATION, AND TRANSFER COMPUTATION OF SENTENCE Extra Good Time § 523.13 Community corrections center good time. Extra good time for an inmate in a Federal or contract Community Corrections... 28 Judicial Administration 2 2013-07-01 2013-07-01 false Community corrections center good time...

System and method for correcting attitude estimation

NASA Technical Reports Server (NTRS)

Josselson, Robert H. (Inventor)

2010-01-01

A system includes an angular rate sensor disposed in a vehicle for providing angular rates of the vehicle, and an instrument disposed in the vehicle for providing line-of-sight control with respect to a line-of-sight reference. The instrument includes an integrator which is configured to integrate the angular rates of the vehicle to form non-compensated attitudes. Also included is a compensator coupled across the integrator, in a feed-forward loop, for receiving the angular rates of the vehicle and outputting compensated angular rates of the vehicle. A summer combines the non-compensated attitudes and the compensated angular rates of the to vehicle to form estimated vehicle attitudes for controlling the instrument with respect to the line-of-sight reference. The compensator is configured to provide error compensation to the instrument free-of any feedback loop that uses an error signal. The compensator may include a transfer function providing a fixed gain to the received angular rates of the vehicle. The compensator may, alternatively, include a is transfer function providing a variable gain as a function of frequency to operate on the received angular rates of the vehicle.

Effect of air composition (N2, O2, Ar, and H2O) on CO2 and CH4 measurement by wavelength-scanned cavity ring-down spectroscopy: calibration and measurement strategy

NASA Astrophysics Data System (ADS)

Nara, H.; Tanimoto, H.; Tohjima, Y.; Mukai, H.; Nojiri, Y.; Katsumata, K.; Rella, C. W.

2012-11-01

We examined potential interferences from water vapor and atmospheric background gases (N2, O2, and Ar), and biases by isotopologues of target species, on accurate measurement of atmospheric CO2 and CH4 by means of wavelength-scanned cavity ring-down spectroscopy (WS-CRDS). Changes of the background gas mole fractions in the sample air substantially impacted the CO2 and CH4 measurements: variation of CO2 and CH4 due to relative increase of each background gas increased as Ar < O2 < N2, suggesting similar relation for the pressure-broadening effects (PBEs) among the background gas. The pressure-broadening coefficients due to variations in O2 and Ar for CO2 and CH4 are empirically determined from these experimental results. Calculated PBEs using the pressure-broadening coefficients are linearly correlated with the differences between the mole fractions of O2 and Ar and their ambient abundances. Although the PBEs calculation showed that impact of natural variation of O2 is negligible on the CO2 and CH4 measurements, significant bias was inferred for the measurement of synthetic standard gases. For gas standards balanced with purified air, the PBEs were estimated to be marginal (up to 0.05 ppm for CO2 and 0.01 ppb for CH4) although the PBEs were substantial (up to 0.87 ppm for CO2 and 1.4 ppb for CH4) for standards balanced with synthetic air. For isotopic biases on CO2 measurements, we compared experimental results and theoretical calculations, which showed excellent agreement within their uncertainty. We derived instrument-specific water correction functions empirically for three WS-CRDS instruments (Picarro EnviroSense 3000i, G-1301, and G-2301), and evaluated the transferability of the water correction function from G-1301 among these instruments. Although the transferability was not proven, no significant difference was found in the water vapor correction function for the investigated WS-CRDS instruments as well as the instruments reported in the past studies within the typical analytical precision at sufficiently low water concentrations (<0.7% for CO2 and <0.6% for CH4). For accurate measurements of CO2 and CH4 in ambient air, we concluded that WS-CRDS measurements should be performed under complete dehumidification of air samples, or moderate dehumidification followed by application of a water vapor correction function, along with calibration by natural air-based standard gases or purified air-balanced synthetic standard gases with the isotopic correction.

Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules

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

Vuong, Van Quan; Akkarapattiakal Kuriappan, Jissy; Kubillus, Maximilian

In this paper, we present the parametrization and benchmark of long-range corrected second-order density functional tight binding (DFTB), LC-DFTB2, for organic and biological molecules. The LC-DFTB2 model not only improves fundamental orbital energy gaps but also ameliorates the DFT self-interaction error and overpolarization problem, and further improves charge-transfer excited states significantly. Electronic parameters for the construction of the DFTB2 Hamiltonian as well as repulsive potentials were optimized for molecules containing C, H, N, and O chemical elements. We use a semiautomatic parametrization scheme based on a genetic algorithm. With the new parameters, LC-DFTB2 describes geometries and vibrational frequencies of organicmore » molecules similarly well as third-order DFTB3/3OB, the de facto standard parametrization based on a GGA functional. Finally, LC-DFTB2 performs well also for atomization and reaction energies, however, slightly less satisfactorily than DFTB3/3OB.« less

Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules

DOE PAGES

Vuong, Van Quan; Akkarapattiakal Kuriappan, Jissy; Kubillus, Maximilian; ...

2017-12-12

In this paper, we present the parametrization and benchmark of long-range corrected second-order density functional tight binding (DFTB), LC-DFTB2, for organic and biological molecules. The LC-DFTB2 model not only improves fundamental orbital energy gaps but also ameliorates the DFT self-interaction error and overpolarization problem, and further improves charge-transfer excited states significantly. Electronic parameters for the construction of the DFTB2 Hamiltonian as well as repulsive potentials were optimized for molecules containing C, H, N, and O chemical elements. We use a semiautomatic parametrization scheme based on a genetic algorithm. With the new parameters, LC-DFTB2 describes geometries and vibrational frequencies of organicmore » molecules similarly well as third-order DFTB3/3OB, the de facto standard parametrization based on a GGA functional. Finally, LC-DFTB2 performs well also for atomization and reaction energies, however, slightly less satisfactorily than DFTB3/3OB.« less

Spin structure of the neutron ({sup 3}He) and the Bjoerken sum rule

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

Meziani, Z.E.

1994-12-01

A first measurement of the longitudinal asymmetry of deep-inelastic scattering of polarized electrons from a polarized {sup 3}He target at energies ranging from 19 to 26 GeV has been performed at the Stanford Linear Accelerator Center (SLAC). The spin-structure function of the neutron g{sub 1}{sup n} has been extracted from the measured asymmetries. The Quark Parton Model (QPM) interpretation of the nucleon spin-structure function is examined in light of the new results. A test of the Ellis-Jaffe sum rule (E-J) on the neutron is performed at high momentum transfer and found to be satisfied. Furthermore, combining the proton results ofmore » the European Muon Collaboration (EMC) and the neutron results of E-142, the Bjoerken sum rule test is carried at high Q{sup 2} where higher order Perturbative Quantum Chromodynamics (PQCD) corrections and higher-twist corrections are smaller. The sum rule is saturated to within one standard deviation.« less

Deductive Derivation and Turing-Computerization of Semiparametric Efficient Estimation

PubMed Central

Frangakis, Constantine E.; Qian, Tianchen; Wu, Zhenke; Diaz, Ivan

2015-01-01

Summary Researchers often seek robust inference for a parameter through semiparametric estimation. Efficient semiparametric estimation currently requires theoretical derivation of the efficient influence function (EIF), which can be a challenging and time-consuming task. If this task can be computerized, it can save dramatic human effort, which can be transferred, for example, to the design of new studies. Although the EIF is, in principle, a derivative, simple numerical differentiation to calculate the EIF by a computer masks the EIF’s functional dependence on the parameter of interest. For this reason, the standard approach to obtaining the EIF relies on the theoretical construction of the space of scores under all possible parametric submodels. This process currently depends on the correctness of conjectures about these spaces, and the correct verification of such conjectures. The correct guessing of such conjectures, though successful in some problems, is a nondeductive process, i.e., is not guaranteed to succeed (e.g., is not computerizable), and the verification of conjectures is generally susceptible to mistakes. We propose a method that can deductively produce semiparametric locally efficient estimators. The proposed method is computerizable, meaning that it does not need either conjecturing, or otherwise theoretically deriving the functional form of the EIF, and is guaranteed to produce the desired estimates even for complex parameters. The method is demonstrated through an example. PMID:26237182

Deductive derivation and turing-computerization of semiparametric efficient estimation.

PubMed

Frangakis, Constantine E; Qian, Tianchen; Wu, Zhenke; Diaz, Ivan

2015-12-01

Researchers often seek robust inference for a parameter through semiparametric estimation. Efficient semiparametric estimation currently requires theoretical derivation of the efficient influence function (EIF), which can be a challenging and time-consuming task. If this task can be computerized, it can save dramatic human effort, which can be transferred, for example, to the design of new studies. Although the EIF is, in principle, a derivative, simple numerical differentiation to calculate the EIF by a computer masks the EIF's functional dependence on the parameter of interest. For this reason, the standard approach to obtaining the EIF relies on the theoretical construction of the space of scores under all possible parametric submodels. This process currently depends on the correctness of conjectures about these spaces, and the correct verification of such conjectures. The correct guessing of such conjectures, though successful in some problems, is a nondeductive process, i.e., is not guaranteed to succeed (e.g., is not computerizable), and the verification of conjectures is generally susceptible to mistakes. We propose a method that can deductively produce semiparametric locally efficient estimators. The proposed method is computerizable, meaning that it does not need either conjecturing, or otherwise theoretically deriving the functional form of the EIF, and is guaranteed to produce the desired estimates even for complex parameters. The method is demonstrated through an example. © 2015, The International Biometric Society.

Aerosol scattering and absorption modulation transfer function

NASA Astrophysics Data System (ADS)

Sadot, Dan; Kopeika, Norman S.

1993-08-01

Recent experimental measurements of overall atmospheric modulation transfer function (MTF) indicate significant difference between the turbulence and overall atmospheric MTFs, except often at midday when turbulence is strong. We suggest here a physical explanation for those results which essentially relates to what we call a practical instrumentation-based atmospheric aerosol MTF which is a modification of the classical aerosol MTF theory. It is shown that system field-of-view and dynamic range affect strongly aerosol and overall atmospheric MTFs. It is often necessary to choose between MTF and SNR depending upon dynamic range requirements. Also, a new approach regarding aerosol absorption is presented. It is shown that aerosol-absorbed irradiance is spatial frequency dependent and enhances the degradation in image quality arising from received scattered light. This is most relevant for thermal imaging. An analytically corrected model for the aerosol MTF is presented which is relevant for imaging. An important conclusion is that the aerosol MTF is often the dominant part in the actual overall atmospheric MTF all across the optical spectral region.

In vivo selection to improve gene therapy of hematopoietic disorders.

PubMed

Persons, Derek A; Nienhuis, Arthur W

2002-10-01

Successful gene therapy of hematopoietic disorders lacking intrinsic natural selection for genetically corrected cells will require efficient ex vivo gene transfer into autologous hematopoietic stem cells (HSCs). For these diseases, currently available gene transfer methodologies are unlikely to result in therapeutic numbers of corrected HSCs, especially in the setting of minimal recipient conditioning. A strategy to increase the numbers of genetically corrected HSCs in an individual is therefore highly desirable. One approach to overcome the barrier of limiting numbers of genetically corrected cells is to endow them with a competitive advantage conferred by inclusion of a 'selectable' gene in the therapeutic vector. Herein, we review recent progress in the development of in vivo selection systems, which hold promise in facilitating successful gene therapy.

B97-3c: A revised low-cost variant of the B97-D density functional method

NASA Astrophysics Data System (ADS)

Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas; Grimme, Stefan

2018-02-01

A revised version of the well-established B97-D density functional approximation with general applicability for chemical properties of large systems is proposed. Like B97-D, it is based on Becke's power-series ansatz from 1997 and is explicitly parametrized by including the standard D3 semi-classical dispersion correction. The orbitals are expanded in a modified valence triple-zeta Gaussian basis set, which is available for all elements up to Rn. Remaining basis set errors are mostly absorbed in the modified B97 parametrization, while an established atom-pairwise short-range potential is applied to correct for the systematically too long bonds of main group elements which are typical for most semi-local density functionals. The new composite scheme (termed B97-3c) completes the hierarchy of "low-cost" electronic structure methods, which are all mainly free of basis set superposition error and account for most interactions in a physically sound and asymptotically correct manner. B97-3c yields excellent molecular and condensed phase geometries, similar to most hybrid functionals evaluated in a larger basis set expansion. Results on the comprehensive GMTKN55 energy database demonstrate its good performance for main group thermochemistry, kinetics, and non-covalent interactions, when compared to functionals of the same class. This also transfers to metal-organic reactions, which is a major area of applicability for semi-local functionals. B97-3c can be routinely applied to hundreds of atoms on a single processor and we suggest it as a robust computational tool, in particular, for more strongly correlated systems where our previously published "3c" schemes might be problematic.

GENERAL: Scattering Phase Correction for Semiclassical Quantization Rules in Multi-Dimensional Quantum Systems

NASA Astrophysics Data System (ADS)

Huang, Wen-Min; Mou, Chung-Yu; Chang, Cheng-Hung

2010-02-01

While the scattering phase for several one-dimensional potentials can be exactly derived, less is known in multi-dimensional quantum systems. This work provides a method to extend the one-dimensional phase knowledge to multi-dimensional quantization rules. The extension is illustrated in the example of Bogomolny's transfer operator method applied in two quantum wells bounded by step potentials of different heights. This generalized semiclassical method accurately determines the energy spectrum of the systems, which indicates the substantial role of the proposed phase correction. Theoretically, the result can be extended to other semiclassical methods, such as Gutzwiller trace formula, dynamical zeta functions, and semiclassical Landauer-Büttiker formula. In practice, this recipe enhances the applicability of semiclassical methods to multi-dimensional quantum systems bounded by general soft potentials.

Investigation of several aspects of LANDSAT 4/5 data quality. [California, Texas, Arkansas, Alabama, and Pacific Ocean

NASA Technical Reports Server (NTRS)

Wrigley, R. C. (Principal Investigator)

1984-01-01

A second quadrant from the Sacramento, CA scene 44/33 acquired by LANDSAT-4 was tested for band to band resolution. Results show that all measured misregistrations are within 0.03 pixels for similar band pairs. Two LANDSAT-5 scenes (one from Corpus Christi, TX and the other from Huntsville, AL) were also tested for band to band resolution. All measured misregistrations in the Texas scene are less than 0.03 pixels. The across scan misregistration Alabama scene is -0.66 pixels and thus needs correction. A 512 x 512 pixel area of the Pacific Ocean was corrected for the pixel offsets. Modulation transfer function analysis of the San Mateo Bridge using data from the San Francisco scene was accomplished.

[Pattern of paralysis and reconstructive operations after traumatic brachial plexus lesions].

PubMed

Rühmann, O; Schmolke, S; Carls, J; Wirth, C J

2002-12-01

The aim of this study was to evaluate persistent patterns of paralysis after traumatic brachial plexus lesions. As a result, consecutive reconstructive operations according to our differential therapy concept are presented. Between 04/1994 and 12/2000 in 104 patients with brachial plexus palsy, the grade of muscle power of the affected upper extremities was evaluated prospectively. The neuromuscular patterns of defect showed, in most cases, insufficient muscle power grades of 0-2 for the deltoid muscle (90%), supraspinatus muscle (82%), infraspinatus muscle (93%), elbow flexors (67% to 77%), hand and finger extensors (69% to 71%), and the abductor and extensors of the thumb (67% to 70%). In corresponding frequency, the following operations were performed between 04/1994 and 06/2002: shoulder arthrodesis (n 26), trapezius transfer (n 80), rotation osteotomy of humerus (n 10), triceps to biceps transposition (n 11), transposition of forearm flexors or extensors/Steindler operation (n 12), latissimus transfer (n 7), pectoralis transfer (n 1), teres major transfer (n 1), transposition of forearm flexors to the tendons of extensor digitorum (n 19) and of the extensor pollicis longus (n 9), and wrist arthrodesis (n 5). On malfunction of muscles following brachial plexus lesions, taking into account the individual neuromuscular defect, passive joint function, and bony deformities, different procedures such as muscle transposition, arthrodesis, and corrective osteotomy can be performed to improve function of the upper extremity.

A general transfer-function approach to noise filtering in open-loop quantum control

NASA Astrophysics Data System (ADS)

Viola, Lorenza

2015-03-01

Hamiltonian engineering via unitary open-loop quantum control provides a versatile and experimentally validated framework for manipulating a broad class of non-Markovian open quantum systems of interest, with applications ranging from dynamical decoupling and dynamically corrected quantum gates, to noise spectroscopy and quantum simulation. In this context, transfer-function techniques directly motivated by control engineering have proved invaluable for obtaining a transparent picture of the controlled dynamics in the frequency domain and for quantitatively analyzing performance. In this talk, I will show how to identify a computationally tractable set of ``fundamental filter functions,'' out of which arbitrary filter functions may be assembled up to arbitrary high order in principle. Besides avoiding the infinite recursive hierarchy of filter functions that arises in general control scenarios, this fundamental set suffices to characterize the error suppression capabilities of the control protocol in both the time and frequency domain. I will show, in particular, how the resulting notion of ``filtering order'' reveals conceptually distinct, albeit complementary, features of the controlled dynamics as compared to the ``cancellation order,'' traditionally defined in the Magnus sense. Implications for current quantum control experiments will be discussed. Work supported by the U.S. Army Research Office under Contract No. W911NF-14-1-0682.

Preface: cardiac control pathways: signaling and transport phenomena.

PubMed

Sideman, Samuel

2008-03-01

Signaling is part of a complex system of communication that governs basic cellular functions and coordinates cellular activity. Transfer of ions and signaling molecules and their interactions with appropriate receptors, transmembrane transport, and the consequent intracellular interactions and functional cellular response represent a complex system of interwoven phenomena of transport, signaling, conformational changes, chemical activation, and/or genetic expression. The well-being of the cell thus depends on a harmonic orchestration of all these events and the existence of control mechanisms that assure the normal behavior of the various parameters involved and their orderly expression. The ability of cells to sustain life by perceiving and responding correctly to their microenvironment is the basis for development, tissue repair, and immunity, as well as normal tissue homeostasis. Natural deviations, or human-induced interference in the signaling pathways and/or inter- and intracellular transport and information transfer, are responsible for the generation, modulation, and control of diseases. The present overview aims to highlight some major topics of the highly complex cellular information transfer processes and their control mechanisms. Our goal is to contribute to the understanding of the normal and pathophysiological phenomena associated with cardiac functions so that more efficient therapeutic modalities can be developed. Our objective in this volume is to identify and enhance the study of some basic passive and active physical and chemical transport phenomena, physiological signaling pathways, and their biological consequences.

Calculation of Transfer Functions of Multilayer Biotissues in the Problems of Correction of Their Fluorescence Spectra

NASA Astrophysics Data System (ADS)

Lysenko, S. A.

2018-01-01

A method for rapid calculation of a flux of stimulated fluorescence of a multilayer optically dense medium with inhomogeneous distribution of the fluorophore has been developed. The light field in the medium at the excitation wavelength of fluorescence is represented by a superposition of incident collimated, incident diffuse, and reflected diffuse fluxes. A two-stream approximation is used to describe the light field in the medium at the wavelength of emission of the fluorescence. Fluxes in adjacent elementary layers of the medium and on its surface are connected by simple matrix operators that are obtained using a combination of engineering approaches of radiation-transfer theory and single-scattering approximation. The calculations of fluorescence fluxes of a four-layer biotissue that are excited and recorded at 400-800 nm are compared with their Monte Carlo simulation with a discrepancy of 1%. The effect of the propagation medium on the fluorescence spectra of 5-ALA-induced protoporphyrin IX that are recorded from human skin was studied, and a technique for their correction that is based on measurements and quantitative analysis of the diffuse reflectance spectrum of skin was proposed.

Cystic Fibrosis Gene Therapy in the UK and Elsewhere

PubMed Central

Pytel, Kamila M.; Alton, Eric W.F.W.

2015-01-01

Abstract The cystic fibrosis transmembrane conductance regulator (CFTR) gene was identified in 1989. This opened the door for the development of cystic fibrosis (CF) gene therapy, which has been actively pursued for the last 20 years. Although 26 clinical trials involving approximately 450 patients have been carried out, the vast majority of these trials were short and included small numbers of patients; they were not designed to assess clinical benefit, but to establish safety and proof-of-concept for gene transfer using molecular end points such as the detection of recombinant mRNA or correction of the ion transport defect. The only currently published trial designed and powered to assess clinical efficacy (defined as improvement in lung function) administered AAV2-CFTR to the lungs of patients with CF. The U.K. Cystic Fibrosis Gene Therapy Consortium completed, in the autumn of 2014, the first nonviral gene therapy trial designed to answer whether repeated nonviral gene transfer (12 doses over 12 months) can lead to clinical benefit. The demonstration that the molecular defect in CFTR can be corrected with small-molecule drugs, and the success of gene therapy in other monogenic diseases, is boosting interest in CF gene therapy. Developments are discussed here. PMID:25838137

A review of the matrix-exponential formalism in radiative transfer

NASA Astrophysics Data System (ADS)

Efremenko, Dmitry S.; Molina García, Víctor; Gimeno García, Sebastián; Doicu, Adrian

2017-07-01

This paper outlines the matrix exponential description of radiative transfer. The eigendecomposition method which serves as a basis for computing the matrix exponential and for representing the solution in a discrete ordinate setting is considered. The mathematical equivalence of the discrete ordinate method, the matrix operator method, and the matrix Riccati equations method is proved rigorously by means of the matrix exponential formalism. For optically thin layers, approximate solution methods relying on the Padé and Taylor series approximations to the matrix exponential, as well as on the matrix Riccati equations, are presented. For optically thick layers, the asymptotic theory with higher-order corrections is derived, and parameterizations of the asymptotic functions and constants for a water-cloud model with a Gamma size distribution are obtained.

Transient radiative transfer in a scattering slab considering polarization.

PubMed

Yi, Hongliang; Ben, Xun; Tan, Heping

2013-11-04

The characteristics of the transient and polarization must be considered for a complete and correct description of short-pulse laser transfer in a scattering medium. A Monte Carlo (MC) method combined with a time shift and superposition principle is developed to simulate transient vector (polarized) radiative transfer in a scattering medium. The transient vector radiative transfer matrix (TVRTM) is defined to describe the transient polarization behavior of short-pulse laser propagating in the scattering medium. According to the definition of reflectivity, a new criterion of reflection at Fresnel surface is presented. In order to improve the computational efficiency and accuracy, a time shift and superposition principle is applied to the MC model for transient vector radiative transfer. The results for transient scalar radiative transfer and steady-state vector radiative transfer are compared with those in published literatures, respectively, and an excellent agreement between them is observed, which validates the correctness of the present model. Finally, transient radiative transfer is simulated considering the polarization effect of short-pulse laser in a scattering medium, and the distributions of Stokes vector in angular and temporal space are presented.

Axis-free correction of astigmatism using bifocal soft contact lenses.

PubMed

Leube, Alexander; Kovats, Imre; Wahl, Siegfried; Sickenberger, Wolfgang

2017-12-01

Pilot study to investigate the feasibility of an axis-free correction approach of regular astigmatism using soft, bifocal contact lenses (CL). The investigation covers an optical simulation and a pilot study for the assessment of visual performance (over refraction OR, monocular visual acuity VA). The power of the two zones was adjusted according to the power of the astigmatic meridians, individually. Subjective performance was assessed in 30 participants with a mean horizontal cylindrical component of J 0 =- 0.65±1.29 D (cylinder from -0.75 to -4.00 DC). OR and VA were measured directly after fitting the CL, after one hour and after 5days (3FUP). Evaluating the modulation transfer function, CL increased the Strehl ratio by 10% and the transferred spatial frequency was improved from 6.6 cpd to 21.3 cpd. Analysis of Sturm's interval revealed a residual astigmatism of D Ast =0.73 D. OR revealed a statistically significant reduction of spherical error between baseline and all follow up (ΔM=-2.14 D, p<0.001) and between the J 0 from baseline to 3FUP (ΔJ 0 =-0.46 D, p=0.04). Wearing the CL for 5days did not result in a significant difference of VA (ΔVA 3FUP =+0.01 logMAR, p=0.99). Axis-free correction of astigmatism using bifocal CL resulted in reasonable performance based on computer simulation. Participants showed no clinically reduced visual acuity or contrast sensitivity. Further clinical studies are needed to show if this approach provides a good alternative to conventional astigmatic correction. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations

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

Fang, Dong; Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706; Duke, Robert E.

2015-07-28

A new method to account for long range electrostatic contributions is proposed and implemented for quantum mechanics/molecular mechanics long range electrostatic correction (QM/MM-LREC) calculations. This method involves the use of the minimum image convention under periodic boundary conditions and a new smoothing function for energies and forces at the cutoff boundary for the Coulomb interactions. Compared to conventional QM/MM calculations without long-range electrostatic corrections, the new method effectively includes effects on the MM environment in the primary image from its replicas in the neighborhood. QM/MM-LREC offers three useful features including the avoidance of calculations in reciprocal space (k-space), with themore » concomitant avoidance of having to reproduce (analytically or approximately) the QM charge density in k-space, and the straightforward availability of analytical Hessians. The new method is tested and compared with results from smooth particle mesh Ewald (PME) for three systems including a box of neat water, a double proton transfer reaction, and the geometry optimization of the critical point structures for the rate limiting step of the DNA dealkylase AlkB. As with other smoothing or shifting functions, relatively large cutoffs are necessary to achieve comparable accuracy with PME. For the double-proton transfer reaction, the use of a 22 Å cutoff shows a close reaction energy profile and geometries of stationary structures with QM/MM-LREC compared to conventional QM/MM with no truncation. Geometry optimization of stationary structures for the hydrogen abstraction step by AlkB shows some differences between QM/MM-LREC and the conventional QM/MM. These differences underscore the necessity of the inclusion of the long-range electrostatic contribution.« less

Calibration transfer of a Raman spectroscopic quantification method for the assessment of liquid detergent compositions from at-line laboratory to in-line industrial scale.

PubMed

Brouckaert, D; Uyttersprot, J-S; Broeckx, W; De Beer, T

2018-03-01

Calibration transfer or standardisation aims at creating a uniform spectral response on different spectroscopic instruments or under varying conditions, without requiring a full recalibration for each situation. In the current study, this strategy is applied to construct at-line multivariate calibration models and consequently employ them in-line in a continuous industrial production line, using the same spectrometer. Firstly, quantitative multivariate models are constructed at-line at laboratory scale for predicting the concentration of two main ingredients in hard surface cleaners. By regressing the Raman spectra of a set of small-scale calibration samples against their reference concentration values, partial least squares (PLS) models are developed to quantify the surfactant levels in the liquid detergent compositions under investigation. After evaluating the models performance with a set of independent validation samples, a univariate slope/bias correction is applied in view of transporting these at-line calibration models to an in-line manufacturing set-up. This standardisation technique allows a fast and easy transfer of the PLS regression models, by simply correcting the model predictions on the in-line set-up, without adjusting anything to the original multivariate calibration models. An extensive statistical analysis is performed in order to assess the predictive quality of the transferred regression models. Before and after transfer, the R 2 and RMSEP of both models is compared for evaluating if their magnitude is similar. T-tests are then performed to investigate whether the slope and intercept of the transferred regression line are not statistically different from 1 and 0, respectively. Furthermore, it is inspected whether no significant bias can be noted. F-tests are executed as well, for assessing the linearity of the transfer regression line and for investigating the statistical coincidence of the transfer and validation regression line. Finally, a paired t-test is performed to compare the original at-line model to the slope/bias corrected in-line model, using interval hypotheses. It is shown that the calibration models of Surfactant 1 and Surfactant 2 yield satisfactory in-line predictions after slope/bias correction. While Surfactant 1 passes seven out of eight statistical tests, the recommended validation parameters are 100% successful for Surfactant 2. It is hence concluded that the proposed strategy for transferring at-line calibration models to an in-line industrial environment via a univariate slope/bias correction of the predicted values offers a successful standardisation approach. Copyright © 2017 Elsevier B.V. All rights reserved.

The FluxCompensator: Making Radiative Transfer Models of Hydrodynamical Simulations Directly Comparable to Real Observations

NASA Astrophysics Data System (ADS)

Koepferl, Christine M.; Robitaille, Thomas P.

2017-11-01

When modeling astronomical objects throughout the universe, it is important to correctly treat the limitations of the data, for instance finite resolution and sensitivity. In order to simulate these effects, and to make radiative transfer models directly comparable to real observations, we have developed an open-source Python package called the FluxCompensator that enables the post-processing of the output of 3D Monte Carlo radiative transfer codes, such as Hyperion. With the FluxCompensator, realistic synthetic observations can be generated by modeling the effects of convolution with arbitrary point-spread functions, transmission curves, finite pixel resolution, noise, and reddening. Pipelines can be applied to compute synthetic observations that simulate observatories, such as the Spitzer Space Telescope or the Herschel Space Observatory. Additionally, this tool can read in existing observations (e.g., FITS format) and use the same settings for the synthetic observations. In this paper, we describe the package as well as present examples of such synthetic observations.

Nature and potency interactions of the hydrogen bond through the NBO analysis for charge transfer complex between 2-amino-4-hydroxy-6-methylpyrimidine and 2,3-pyrazinedicarboxylic acid

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Afroz, Ziya; Alam, Mohammad Jane; Bhat, Sheeraz Ahmad; Ahmad, Shabbir; Ahmad, Afaq

2018-05-01

The intermolecular interactions in complex formation between 2-amino-4-hydroxy-6-methylpyrimidine (AHMP) and 2,3-pyrazinedicarboxylicacid (PDCA) have been explored using density functional theory calculations. The isolated 1:1 molecular geometry of proton transfer (PT) complex between AHMP and PDCA has been optimized on a counterpoise corrected potential energy surface (PES) at DFT-B3LYP/6-31G(d,p) level of theory in the gaseous phase. Further, the formation of hydrogen bonded charge transfer (HBCT) complex between PDCA and AHMP has been also discussed. PT energy barrier between two extremes is calculated using potential energy surface (PES) scan by varying bond length. The intermolecular interactions have been analyzed from theoretical perspective of natural bond orbital (NBO) analysis. In addition, the interaction energy between molecular fragments involved in the complex formation has been also computed by counterpoise procedure at same level of theory.

The FluxCompensator: Making Radiative Transfer Models of Hydrodynamical Simulations Directly Comparable to Real Observations

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

Koepferl, Christine M.; Robitaille, Thomas P., E-mail: koepferl@usm.lmu.de

When modeling astronomical objects throughout the universe, it is important to correctly treat the limitations of the data, for instance finite resolution and sensitivity. In order to simulate these effects, and to make radiative transfer models directly comparable to real observations, we have developed an open-source Python package called the FluxCompensator that enables the post-processing of the output of 3D Monte Carlo radiative transfer codes, such as Hyperion. With the FluxCompensator, realistic synthetic observations can be generated by modeling the effects of convolution with arbitrary point-spread functions, transmission curves, finite pixel resolution, noise, and reddening. Pipelines can be applied tomore » compute synthetic observations that simulate observatories, such as the Spitzer Space Telescope or the Herschel Space Observatory . Additionally, this tool can read in existing observations (e.g., FITS format) and use the same settings for the synthetic observations. In this paper, we describe the package as well as present examples of such synthetic observations.« less

Outcome of triple-tendon transfer, an Eden-Lange variant, to reconstruct trapezius paralysis.

PubMed

Elhassan, Bassem T; Wagner, Eric R

2015-08-01

This study describes the technique and evaluates the outcome of the triple-tendon (T3) transfer, an Eden-Lange variant, to the scapula to stabilize the scapulothoracic articulation in the treatment of symptomatic trapezius paralysis. T3 transfers were performed in 22 patients with a history of persistent trapezius paralysis secondary to spinal accessory nerve injury. The indications for surgery included shoulder pain and weakness and limited range of motion of the shoulder. The T3 transfer included transfer of the levator scapulae to the lateral aspect of the spine of the scapula, the rhomboid minor to the spine of the scapula just medial to the levator scapulae insertion, and the rhomboid major to the medial spine of the scapula, including all muscles bony insertions. At an average follow-up of 35 months, winging was corrected in all patients, with improvement of shoulder asymmetry. All patients had significant improvement of pain (P < .01) and range of motion, including active shoulder abduction that improved from an average of 71° preoperatively to 118° postoperatively (P < .02) and shoulder flexion from an average of 102° to 150° (P < .01). There were also significant improvements in aggregate Constant Shoulder Score (P < .01), subjective shoulder value (P < .01), and Disabilities of the Arm, Shoulder and Hand score (P < .01). All patients were very satisfied with the outcome of surgery. This study shows that the T3 transfer is effective in stabilizing the scapulothoracic articulation and restoring the function of the trapezius, and thus, in improving pain and shoulder function in patients with symptomatic trapezius paralysis. Copyright © 2015 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

PubMed

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen-bonded systems is demonstrated here.

van der Waals interactions are critical in Car-Parrinello molecular dynamics simulations of porphyrin-fullerene dyads.

PubMed

Karilainen, Topi; Cramariuc, Oana; Kuisma, Mikael; Tappura, Kirsi; Hukka, Terttu I

2015-04-05

The interplay between electrostatic and van der Waals (vdW) interactions in porphyrin-C60 dyads is still under debate despite its importance in influencing the structural characteristics of such complexes considered for various applications in molecular photovoltaics. In this article, we sample the conformational space of a porphyrin-C60 dyad using Car-Parrinello molecular dynamics simulations with and without empirical vdW corrections. Long-range vdW interactions, which are poorly described by the commonly used density functional theory functionals, prove to be essential for a proper dynamics of the dyad moieties. Inclusion of vdW corrections brings porphyrin and C60 close together in an orientation that is in agreement with experimental observations. The structural differences arising from the vdW corrections are shown to be significant for several properties and potentially less important for others. Additionally, our Mulliken population analysis reveals that contrary to the common belief, porphyrin is not the primary electron donating moiety for C60 . In the considered dyad, fullerene's affinity for electrons is primarily satisfied by charge transfer from the amide group of the linker. However, we show that in the absence of another suitable bound donor, C60 can withdraw electrons from porphyrin if it is sufficiently close. © 2015 Wiley Periodicals, Inc.

76 FR 51878 - Modifications of Certain Derivative Contracts; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-19

... Modifications of Certain Derivative Contracts; Correction AGENCY: Internal Revenue Service (IRS), Treasury... derivative contracts does not result in an exchange to the nonassigning counterparty for purposes of Sec. 1... derivative contract to another dealer in securities or'' is corrected to read ``or a clearinghouse transfers...

Theory and computation of optimal low- and medium-thrust transfers

NASA Technical Reports Server (NTRS)

Chuang, C.-H.

1994-01-01

This report presents two numerical methods considered for the computation of fuel-optimal, low-thrust orbit transfers in large numbers of burns. The origins of these methods are observations made with the extremal solutions of transfers in small numbers of burns; there seems to exist a trend such that the longer the time allowed to perform an optimal transfer the less fuel that is used. These longer transfers are obviously of interest since they require a motor of low thrust; however, we also find a trend that the longer the time allowed to perform the optimal transfer the more burns are required to satisfy optimality. Unfortunately, this usually increases the difficulty of computation. Both of the methods described use small-numbered burn solutions to determine solutions in large numbers of burns. One method is a homotopy method that corrects for problems that arise when a solution requires a new burn or coast arc for optimality. The other method is to simply patch together long transfers from smaller ones. An orbit correction problem is solved to develop this method. This method may also lead to a good guidance law for transfer orbits with long transfer times.

Combining MRI With PET for Partial Volume Correction Improves Image-Derived Input Functions in Mice

NASA Astrophysics Data System (ADS)

Evans, Eleanor; Buonincontri, Guido; Izquierdo, David; Methner, Carmen; Hawkes, Rob C.; Ansorge, Richard E.; Krieg, Thomas; Carpenter, T. Adrian; Sawiak, Stephen J.

2015-06-01

Accurate kinetic modelling using dynamic PET requires knowledge of the tracer concentration in plasma, known as the arterial input function (AIF). AIFs are usually determined by invasive blood sampling, but this is prohibitive in murine studies due to low total blood volumes. As a result of the low spatial resolution of PET, image-derived input functions (IDIFs) must be extracted from left ventricular blood pool (LVBP) ROIs of the mouse heart. This is challenging because of partial volume and spillover effects between the LVBP and myocardium, contaminating IDIFs with tissue signal. We have applied the geometric transfer matrix (GTM) method of partial volume correction (PVC) to 12 mice injected with 18F - FDG affected by a Myocardial Infarction (MI), of which 6 were treated with a drug which reduced infarction size [1]. We utilised high resolution MRI to assist in segmenting mouse hearts into 5 classes: LVBP, infarcted myocardium, healthy myocardium, lungs/body and background. The signal contribution from these 5 classes was convolved with the point spread function (PSF) of the Cambridge split magnet PET scanner and a non-linear fit was performed on the 5 measured signal components. The corrected IDIF was taken as the fitted LVBP component. It was found that the GTM PVC method could recover an IDIF with less contamination from spillover than an IDIF extracted from PET data alone. More realistic values of Ki were achieved using GTM IDIFs, which were shown to be significantly different (p <; 0.05) between the treated and untreated groups.

Evidence of quasi-partonic higher-twist effects in deep inelastic scattering at HERA at moderate Q^2

NASA Astrophysics Data System (ADS)

Motyka, Leszek; Sadzikowski, Mariusz; Słomiński, Wojciech; Wichmann, Katarzyna

2018-01-01

The combined HERA data for the inclusive deep inelastic scattering (DIS) cross sections for the momentum transfer Q^2 > 1 GeV^2 are fitted within the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) framework at next-to-leading order (NLO) and next-to-next-to-leading order (NNLO) accuracy, complemented by a QCD-inspired parameterisation of twist 4 corrections. A modified form of the input parton density functions is also included, motivated by parton saturation mechanism at small Bjorken x and at a low scale. These modifications lead to a significant improvement of the data description in the region of low Q^2. For the whole data sample, the new benchmark NNLO DGLAP fit yields χ ^2/d.o.f. ˜eq 1.19 to be compared to 1.46 resulting from the standard NNLO DGLAP fit. We discuss the results in the context of the parton saturation picture and describe the impact of the higher-twist corrections on the derived parton density functions. The resulting description of the longitudinal proton structure function FL is consistent with the HERA data. Our estimates of higher-twist contributions to the proton structure functions are comparable to the leading-twist contributions at low Q^2 ˜eq 2 GeV^2 and x ˜eq 10^{-5}. The x-dependence of the twist 4 corrections obtained from the best fit is consistent with the leading twist 4 quasi-partonic operators, corresponding to an exchange of four interacting gluons in the t-channel.

Analytical linear energy transfer model including secondary particles: calculations along the central axis of the proton pencil beam

NASA Astrophysics Data System (ADS)

Marsolat, F.; De Marzi, L.; Pouzoulet, F.; Mazal, A.

2016-01-01

In proton therapy, the relative biological effectiveness (RBE) depends on various types of parameters such as linear energy transfer (LET). An analytical model for LET calculation exists (Wilkens’ model), but secondary particles are not included in this model. In the present study, we propose a correction factor, L sec, for Wilkens’ model in order to take into account the LET contributions of certain secondary particles. This study includes secondary protons and deuterons, since the effects of these two types of particles can be described by the same RBE-LET relationship. L sec was evaluated by Monte Carlo (MC) simulations using the GATE/GEANT4 platform and was defined by the ratio of the LET d distributions of all protons and deuterons and only primary protons. This method was applied to the innovative Pencil Beam Scanning (PBS) delivery systems and L sec was evaluated along the beam axis. This correction factor indicates the high contribution of secondary particles in the entrance region, with L sec values higher than 1.6 for a 220 MeV clinical pencil beam. MC simulations showed the impact of pencil beam parameters, such as mean initial energy, spot size, and depth in water, on L sec. The variation of L sec with these different parameters was integrated in a polynomial function of the L sec factor in order to obtain a model universally applicable to all PBS delivery systems. The validity of this correction factor applied to Wilkens’ model was verified along the beam axis of various pencil beams in comparison with MC simulations. A good agreement was obtained between the corrected analytical model and the MC calculations, with mean-LET deviations along the beam axis less than 0.05 keV μm-1. These results demonstrate the efficacy of our new correction of the existing LET model in order to take into account secondary protons and deuterons along the pencil beam axis.

Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

PubMed

Reichardt, J; Hess, M; Macke, A

2000-04-20

Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

Ignition and combustion characteristics of metallized propellants

NASA Technical Reports Server (NTRS)

Mueller, D. C.; Turns, Stephen R.

1992-01-01

During this reporting period, theoretical work on the secondary atomization process was continued and the experimental apparatus was improved. A one-dimensional model of a rocket combustor, incorporating multiple droplet size classes, slurry combustion, secondary atomization, radiation heat transfer, and two-phase slip between slurry droplets and the gas flow was derived and a computer code was written to implement this model. The STANJAN chemical equilibrium solver was coupled with this code to yield gas temperature, density, and composition as functions of axial location. Preliminary results indicate that the model is performing correctly, given current model assumptions. Radiation heat transfer in the combustion chamber is treated as an optically-thick participating media problem requiring a solution of the radiative transfer equation. A cylindrical P sub 1 approximation was employed to yield an analytical expression for chamber-wall heat flux at each axial location. The code exercised to determine the effects of secondary atomization intensity, defined as the number of secondary drops produced per initial drop, on chamber burnout distance and final Al2O3 agglomerate diameter. These results indicate that only weak secondary atomization is required to significantly reduce these two parameters. Stronger atomization intensities were found to yield decreasing marginal benefits. The experimental apparatus was improved to reduce building vibration effects on the optical system alignment. This was accomplished by mounting the burner and the transmitting/receiving optics on a single frame supported by vibration-isolation legs. Calibration and shakedown tests indicate that vibration problems were eliminated and that the system is performing correctly.

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

PubMed

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

Algorithm for Atmospheric Corrections of Aircraft and Satellite Imagery

NASA Technical Reports Server (NTRS)

Fraser, Robert S.; Kaufman, Yoram J.; Ferrare, Richard A.; Mattoo, Shana

1989-01-01

A simple and fast atmospheric correction algorithm is described which is used to correct radiances of scattered sunlight measured by aircraft and/or satellite above a uniform surface. The atmospheric effect, the basic equations, a description of the computational procedure, and a sensitivity study are discussed. The program is designed to take the measured radiances, view and illumination directions, and the aerosol and gaseous absorption optical thickness to compute the radiance just above the surface, the irradiance on the surface, and surface reflectance. Alternatively, the program will compute the upward radiance at a specific altitude for a given surface reflectance, view and illumination directions, and aerosol and gaseous absorption optical thickness. The algorithm can be applied for any view and illumination directions and any wavelength in the range 0.48 micron to 2.2 micron. The relation between the measured radiance and surface reflectance, which is expressed as a function of atmospheric properties and measurement geometry, is computed using a radiative transfer routine. The results of the computations are presented in a table which forms the basis of the correction algorithm. The algorithm can be used for atmospheric corrections in the presence of a rural aerosol. The sensitivity of the derived surface reflectance to uncertainties in the model and input data is discussed.

Algorithm for atmospheric corrections of aircraft and satellite imagery

NASA Technical Reports Server (NTRS)

Fraser, R. S.; Ferrare, R. A.; Kaufman, Y. J.; Markham, B. L.; Mattoo, S.

1992-01-01

A simple and fast atmospheric correction algorithm is described which is used to correct radiances of scattered sunlight measured by aircraft and/or satellite above a uniform surface. The atmospheric effect, the basic equations, a description of the computational procedure, and a sensitivity study are discussed. The program is designed to take the measured radiances, view and illumination directions, and the aerosol and gaseous absorption optical thickness to compute the radiance just above the surface, the irradiance on the surface, and surface reflectance. Alternatively, the program will compute the upward radiance at a specific altitude for a given surface reflectance, view and illumination directions, and aerosol and gaseous absorption optical thickness. The algorithm can be applied for any view and illumination directions and any wavelength in the range 0.48 micron to 2.2 microns. The relation between the measured radiance and surface reflectance, which is expressed as a function of atmospheric properties and measurement geometry, is computed using a radiative transfer routine. The results of the computations are presented in a table which forms the basis of the correction algorithm. The algorithm can be used for atmospheric corrections in the presence of a rural aerosol. The sensitivity of the derived surface reflectance to uncertainties in the model and input data is discussed.

Determination of beam-position dependent transfer functions of LCR-G gravimeters by means of moving mass calibration device in the Mátyáshegy Gravity and Geodynamical Observatory, Budapest

NASA Astrophysics Data System (ADS)

Koppán, András; Kis, Márta; Merényi, László; Papp, Gábor; Benedek, Judit; Meurers, Bruno

2017-04-01

In this presentation authors propose a method for the determination of transfer characteristics and fine calibration of LCR relative gravimeters used for earth-tide recordings, by means of the moving-mass gravimeter calibration device of Budapest-Mátyáshegy Gravity and Geodynamical Observatory. Beam-position dependent transfer functions of four relative LCR G type gravimeters were determined and compared. In order to make these instruments applicable for observatory tidal recordings, there is a need for examining the unique characteristics of equipments and adequately correcting these inherent distorting effects. Thus, the sensitivity for the tilting, temporal changes of scale factors and beam-position dependent transfer characteristics are necessary to be determined for observatory use of these instruments. During the calibration a cylindrical ring of 3200 kg mass is vertically moving around the equipment, generating gravity variations. The effect of the moving mass can be precisely calculated from the known mass and geometrical parameters. The maximum theoretical gravity variation produced by the vertical movement of the mass is ab. 110 microGal, so it provides excellent possibility for the fine calibration of gravimeters in the tidal range. Magnetic experiments were also carried out on the pillar of the calibration device as well, in order to analyse the magnetic effect of the moving stainless steel-mass. According to the magnetic measurements, a correction for the magnetic effect was applied on the measured gravimetric data series. The calibration process is aided by intelligent controller electronics. A PLC-based system has been developed to allow easy control of the movement of the calibrating mass and to measure the mass position. It enables also programmed steps of movements (waiting positions and waiting times) for refined gravity changes. All parameters (position of the mass, CPI data, X/Y leveling positions) are recorded with 1/sec. sampling rate. The system can be controlled remotely through the internet. Authors wish to express their thanks to OTKA (Hungarian Scientific Research Fund) for their support (OTKA-K101603, OTKA K109060).

Numerical Modeling of Conjugate Heat Transfer in Fluid Network

NASA Technical Reports Server (NTRS)

Majumdar, Alok

2004-01-01

Fluid network modeling with conjugate heat transfer has many applications in Aerospace engineering. In modeling unsteady flow with heat transfer, it is important to know the variation of wall temperature in time and space to calculate heat transfer between solid to fluid. Since wall temperature is a function of flow, a coupled analysis of temperature of solid and fluid is necessary. In cryogenic applications, modeling of conjugate heat transfer is of great importance to correctly predict boil-off rate in propellant tanks and chill down of transfer lines. In TFAWS 2003, the present author delivered a paper to describe a general-purpose computer program, GFSSP (Generalized Fluid System Simulation Program). GFSSP calculates flow distribution in complex flow circuit for compressible/incompressible, with or without heat transfer or phase change in all real fluids or mixtures. The flow circuit constitutes of fluid nodes and branches. The mass, energy and specie conservation equations are solved at the nodes where as momentum conservation equations are solved at the branches. The proposed paper describes the extension of GFSSP to model conjugate heat transfer. The network also includes solid nodes and conductors in addition to fluid nodes and branches. The energy conservation equations for solid nodes solves to determine the temperatures of the solid nodes simultaneously with all conservation equations governing fluid flow. The numerical scheme accounts for conduction, convection and radiation heat transfer. The paper will also describe the applications of the code to predict chill down of cryogenic transfer line and boil-off rate of cryogenic propellant storage tank.

Contact resistance extraction methods for short- and long-channel carbon nanotube field-effect transistors

NASA Astrophysics Data System (ADS)

Pacheco-Sanchez, Anibal; Claus, Martin; Mothes, Sven; Schröter, Michael

2016-11-01

Three different methods for the extraction of the contact resistance based on both the well-known transfer length method (TLM) and two variants of the Y-function method have been applied to simulation and experimental data of short- and long-channel CNTFETs. While for TLM special CNT test structures are mandatory, standard electrical device characteristics are sufficient for the Y-function methods. The methods have been applied to CNTFETs with low and high channel resistance. It turned out that the standard Y-function method fails to deliver the correct contact resistance in case of a relatively high channel resistance compared to the contact resistances. A physics-based validation is also given for the application of these methods based on applying traditional Si MOSFET theory to quasi-ballistic CNTFETs.

15 CFR 971.409 - Denial of issuance or transfer.

Code of Federal Regulations, 2010 CFR

2010-01-01

... THE ENVIRONMENTAL DATA SERVICE DEEP SEABED MINING REGULATIONS FOR COMMERCIAL RECOVERY PERMITS Issuance... can correct: (i) The action believed necessary to correct the deficiency; and (ii) The time within...

Thin wing corrections for phase-change heat-transfer data.

NASA Technical Reports Server (NTRS)

Hunt, J. L.; Pitts, J. I.

1971-01-01

Since no methods are available for determining the magnitude of the errors incurred when the semiinfinite slab assumption is violated, a computer program was developed to calculate the heat-transfer coefficients to both sides of a finite, one-dimensional slab subject to the boundary conditions ascribed to the phase-change coating technique. The results have been correlated in the form of correction factors to the semiinfinite slab solutions in terms of parameters normally used with the technique.

76 FR 8371 - Notice Correction; Generic Submission of Technology Transfer Center (TTC) External Customer...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-14

... Submission of Technology Transfer Center (TTC) External Customer Satisfaction Surveys (NCI) The Federal... project titled, ``Technology Transfer Center (TTC) External Customer Satisfaction Survey (NCI)'' was... will include multiple customer satisfaction surveys over the course of three years. At this time, only...

Unraveling past impacts of climate change and land management on historic peatland development using proxy-based reconstruction, monitoring data and process modeling.

PubMed

Heinemeyer, Andreas; Swindles, Graeme T

2018-05-08

Peatlands represent globally significant soil carbon stores that have been accumulating for millennia under water-logged conditions. However, deepening water-table depths (WTD) from climate change or human-induced drainage could stimulate decomposition resulting in peatlands turning from carbon sinks to carbon sources. Contemporary WTD ranges of testate amoebae (TA) are commonly used to predict past WTD in peatlands using quantitative transfer function models. Here we present, for the first time, a study comparing TA-based WTD reconstructions to instrumentally monitored WTD and hydrological model predictions using the MILLENNIA peatland model to examine past peatland responses to climate change and land management. Although there was very good agreement between monitored and modeled WTD, TA-reconstructed water table was consistently deeper. Predictions from a larger European TA transfer function data set were wetter, but the overall directional fit to observed WTD was better for a TA transfer function based on data from northern England. We applied a regression-based offset correction to the reconstructed WTD for the validation period (1931-2010). We then predicted WTD using available climate records as MILLENNIA model input and compared the offset-corrected TA reconstruction to MILLENNIA WTD predictions over an extended period (1750-1931) with available climate reconstructions. Although the comparison revealed striking similarities in predicted overall WTD patterns, particularly for a recent drier period (1965-1995), there were clear periods when TA-based WTD predictions underestimated (i.e. drier during 1830-1930) and overestimated (i.e. wetter during 1760-1830) past WTD compared to MILLENNIA model predictions. Importantly, simulated grouse moor management scenarios may explain the drier TA WTD predictions, resulting in considerable model predicted carbon losses and reduced methane emissions, mainly due to drainage. This study demonstrates the value of a site-specific and combined data-model validation step toward using TA-derived moisture conditions to understand past climate-driven peatland development and carbon budgets alongside modeling likely management impacts. © 2018 The Authors. Global Change Biology Published by John Wiley & Sons Ltd.

Use of multiple-site performance-contingent SEMG reward programming in pediatric rehabilitation: a retrospective review.

PubMed

Bolek, Jeffrey E

2006-09-01

We completed a retrospective review of the effectiveness of multi-site, performance-contingent reward programming on functional change in motor performance of 16 treatment resistant children. Patients were previously treated in physical or occupational therapy for head control, standing balance training, sitting and upper extremity use (brachial plexus injury). They then participated in a program that utilized multiple surface electromyography sites the use of which was rewarded with videos for performing the correct constellation of recruitment pattern (e.g., contracting some muscles while relaxing others). Onset of reward was calibrated for each patient and transfer of skill to outside the clinic was encouraged by linking a verbal cue to the correct motor plan. Fourteen of the 16 patients improved. The implications of the use of this technique in the treatment of motor dysfunction is discussed.

The cause of outliers in electromagnetic pulse (EMP) locations

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

Fenimore, Edward E.

2014-10-02

We present methods to calculate the location of EMP pulses when observed by 5 or more satellites. Simulations show that, even with a good initial guess and fitting a location to all of the data, there are sometime outlier results whose locations are much worse than most cases. By comparing simulations using different ionospheric transfer functions (ITFs), it appears that the outliers are caused by not including the additional path length due to refraction rather than being caused by not including higher order terms in the Appleton-Hartree equation. We suggest ways that the outliers can be corrected. These correction methodsmore » require one to use an electron density profile along the line of sight from the event to the satellite rather than using the total electron content (TEC) to characterize the ionosphere.« less

Bias correction of temperature produced by the Community Climate System Model using Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Moghim, S.; Hsu, K.; Bras, R. L.

2013-12-01

General Circulation Models (GCMs) are used to predict circulation and energy transfers between the atmosphere and the land. It is known that these models produce biased results that will have impact on their uses. This work proposes a new method for bias correction: the equidistant cumulative distribution function-artificial neural network (EDCDFANN) procedure. The method uses artificial neural networks (ANNs) as a surrogate model to estimate bias-corrected temperature, given an identification of the system derived from GCM models output variables. A two-layer feed forward neural network is trained with observations during a historical period and then the adjusted network can be used to predict bias-corrected temperature for future periods. To capture the extreme values this method is combined with the equidistant CDF matching method (EDCDF, Li et al. 2010). The proposed method is tested with the Community Climate System Model (CCSM3) outputs using air and skin temperature, specific humidity, shortwave and longwave radiation as inputs to the ANN. This method decreases the mean square error and increases the spatial correlation between the modeled temperature and the observed one. The results indicate the EDCDFANN has potential to remove the biases of the model outputs.

A Systematic Error Correction Method for TOVS Radiances

NASA Technical Reports Server (NTRS)

Joiner, Joanna; Rokke, Laurie; Einaudi, Franco (Technical Monitor)

2000-01-01

Treatment of systematic errors is crucial for the successful use of satellite data in a data assimilation system. Systematic errors in TOVS radiance measurements and radiative transfer calculations can be as large or larger than random instrument errors. The usual assumption in data assimilation is that observational errors are unbiased. If biases are not effectively removed prior to assimilation, the impact of satellite data will be lessened and can even be detrimental. Treatment of systematic errors is important for short-term forecast skill as well as the creation of climate data sets. A systematic error correction algorithm has been developed as part of a 1D radiance assimilation. This scheme corrects for spectroscopic errors, errors in the instrument response function, and other biases in the forward radiance calculation for TOVS. Such algorithms are often referred to as tuning of the radiances. The scheme is able to account for the complex, air-mass dependent biases that are seen in the differences between TOVS radiance observations and forward model calculations. We will show results of systematic error correction applied to the NOAA 15 Advanced TOVS as well as its predecessors. We will also discuss the ramifications of inter-instrument bias with a focus on stratospheric measurements.

Receiver calibration and the nonlinearity parameter measurement of thick solid samples with diffraction and attenuation corrections.

PubMed

Jeong, Hyunjo; Barnard, Daniel; Cho, Sungjong; Zhang, Shuzeng; Li, Xiongbing

2017-11-01

This paper presents analytical and experimental techniques for accurate determination of the nonlinearity parameter (β) in thick solid samples. When piezoelectric transducers are used for β measurements, the receiver calibration is required to determine the transfer function from which the absolute displacement can be calculated. The measured fundamental and second harmonic displacement amplitudes should be modified to account for beam diffraction and material absorption. All these issues are addressed in this study and the proposed technique is validated through the β measurements of thick solid samples. A simplified self-reciprocity calibration procedure for a broadband receiver is described. The diffraction and attenuation corrections for the fundamental and second harmonics are explicitly derived. Aluminum alloy samples in five different thicknesses (4, 6, 8, 10, 12cm) are prepared and β measurements are made using the finite amplitude, through-transmission method. The effects of diffraction and attenuation corrections on β measurements are systematically investigated. When diffraction and attenuation corrections are all properly made, the variation of β between different thickness samples is found to be less than 3.2%. Copyright © 2017 Elsevier B.V. All rights reserved.

Elucidation of molecular kinetic schemes from macroscopic traces using system identification

PubMed Central

González-Maeso, Javier; Sealfon, Stuart C.; Galocha-Iragüen, Belén; Brezina, Vladimir

2017-01-01

Overall cellular responses to biologically-relevant stimuli are mediated by networks of simpler lower-level processes. Although information about some of these processes can now be obtained by visualizing and recording events at the molecular level, this is still possible only in especially favorable cases. Therefore the development of methods to extract the dynamics and relationships between the different lower-level (microscopic) processes from the overall (macroscopic) response remains a crucial challenge in the understanding of many aspects of physiology. Here we have devised a hybrid computational-analytical method to accomplish this task, the SYStems-based MOLecular kinetic scheme Extractor (SYSMOLE). SYSMOLE utilizes system-identification input-output analysis to obtain a transfer function between the stimulus and the overall cellular response in the Laplace-transformed domain. It then derives a Markov-chain state molecular kinetic scheme uniquely associated with the transfer function by means of a classification procedure and an analytical step that imposes general biological constraints. We first tested SYSMOLE with synthetic data and evaluated its performance in terms of its rate of convergence to the correct molecular kinetic scheme and its robustness to noise. We then examined its performance on real experimental traces by analyzing macroscopic calcium-current traces elicited by membrane depolarization. SYSMOLE derived the correct, previously known molecular kinetic scheme describing the activation and inactivation of the underlying calcium channels and correctly identified the accepted mechanism of action of nifedipine, a calcium-channel blocker clinically used in patients with cardiovascular disease. Finally, we applied SYSMOLE to study the pharmacology of a new class of glutamate antipsychotic drugs and their crosstalk mechanism through a heteromeric complex of G protein-coupled receptors. Our results indicate that our methodology can be successfully applied to accurately derive molecular kinetic schemes from experimental macroscopic traces, and we anticipate that it may be useful in the study of a wide variety of biological systems. PMID:28192423

Enhanced neural function in highly aberrated eyes following perceptual learning with adaptive optics.

PubMed

Sabesan, Ramkumar; Barbot, Antoine; Yoon, Geunyoung

2017-03-01

Highly aberrated keratoconic (KC) eyes do not elicit the expected visual advantage from customized optical corrections. This is attributed to the neural insensitivity arising from chronic visual experience with poor retinal image quality, dominated by low spatial frequencies. The goal of this study was to investigate if targeted perceptual learning with adaptive optics (AO) can stimulate neural plasticity in these highly aberrated eyes. The worse eye of 2 KC subjects was trained in a contrast threshold test under AO correction. Prior to training, tumbling 'E' visual acuity and contrast sensitivity at 4, 8, 12, 16, 20, 24 and 28 c/deg were measured in both the trained and untrained eyes of each subject with their routine prescription and with AO correction for a 6mm pupil. The high spatial frequency requiring 50% contrast for detection with AO correction was picked as the training frequency. Subjects were required to train on a contrast detection test with AO correction for 1h for 5 consecutive days. During each training session, threshold contrast measurement at the training frequency with AO was conducted. Pre-training measures were repeated after the 5 training sessions in both eyes (i.e., post-training). After training, contrast sensitivity under AO correction improved on average across spatial frequency by a factor of 1.91 (range: 1.77-2.04) and 1.75 (1.22-2.34) for the two subjects. This improvement in contrast sensitivity transferred to visual acuity with the two subjects improving by 1.5 and 1.3 lines respectively with AO following training. One of the two subjects denoted an interocular transfer of training and an improvement in performance with their routine prescription post-training. This training-induced visual benefit demonstrates the potential of AO as a tool for neural rehabilitation in patients with abnormal corneas. Moreover, it reveals a sufficient degree of neural plasticity in normally developed adults who have a long history of abnormal visual experience due to optical imperfections. Copyright © 2016 Elsevier Ltd. All rights reserved.

Using dual-process theory and analogical transfer to explain facilitation on a hypothetico-deductive reasoning task.

PubMed

Koenig, Cynthia S; Platt, Richard D; Griggs, Richard A

2007-07-01

Using the analogical transfer paradigm, the present study investigated the competing explanations of Girotto and Legrenzi (Psychological Research 51: 129-135, 1993) and Griggs, Platt, Newstead, and Jackson (Thinking and Reasoning 4: 1-14, 1998) for facilitation on the SARS version of the THOG problem, a hypothetico-deductive reasoning task. Girotto and Legrenzi argue that facilitation is based on logical analysis of the task [System 2 reasoning in Evans's (Trends in Cognitive Sciences 7: 454-459, 2003) dual-process account of reasoning] while Griggs et al. maintain that facilitation is due to an attentional heuristic produced by the wording of the problem (System 1 reasoning). If Girotto and Legrenzi are correct, then System 2 reasoning, which is volitional and responsible for deductive reasoning, should be elicited, and participants should comprehend the solution principle of the THOG task and exhibit analogical transfer. However, if Griggs et al. are correct, then System 1 reasoning, which is responsible for heuristic problem solving strategies such as an attentional heuristic, should occur, and participants should not abstract the solution principle and transfer should not occur. Significant facilitation (68 and 82% correct) was only observed for the two SARS source problems, but significant analogical transfer did not occur. This lack of transfer suggests that System 1 reasoning was responsible for the facilitation observed in the SARS problem, supporting Griggs et al.'s attentional heuristic explanation. The present results also underscore the explanatory value of using analogical transfer rather than facilitation as the criterion for problem understanding.

System and method for forward error correction

NASA Technical Reports Server (NTRS)

Cole, Robert M. (Inventor); Bishop, James E. (Inventor)

2006-01-01

A system and method are provided for transferring a packet across a data link. The packet may include a stream of data symbols which is delimited by one or more framing symbols. Corruptions of the framing symbol which result in valid data symbols may be mapped to invalid symbols. If it is desired to transfer one of the valid data symbols that has been mapped to an invalid symbol, the data symbol may be replaced with an unused symbol. At the receiving end, these unused symbols are replaced with the corresponding valid data symbols. The data stream of the packet may be encoded with forward error correction information to detect and correct errors in the data stream.

Tests of Exoplanet Atmospheric Radiative Transfer Codes

NASA Astrophysics Data System (ADS)

Harrington, Joseph; Challener, Ryan; DeLarme, Emerson; Cubillos, Patricio; Blecic, Jasmina; Foster, Austin; Garland, Justin

2016-10-01

Atmospheric radiative transfer codes are used both to predict planetary spectra and in retrieval algorithms to interpret data. Observational plans, theoretical models, and scientific results thus depend on the correctness of these calculations. Yet, the calculations are complex and the codes implementing them are often written without modern software-verification techniques. In the process of writing our own code, we became aware of several others with artifacts of unknown origin and even outright errors in their spectra. We present a series of tests to verify atmospheric radiative-transfer codes. These include: simple, single-line line lists that, when combined with delta-function abundance profiles, should produce a broadened line that can be verified easily; isothermal atmospheres that should produce analytically-verifiable blackbody spectra at the input temperatures; and model atmospheres with a range of complexities that can be compared to the output of other codes. We apply the tests to our own code, Bayesian Atmospheric Radiative Transfer (BART) and to several other codes. The test suite is open-source software. We propose this test suite as a standard for verifying current and future radiative transfer codes, analogous to the Held-Suarez test for general circulation models. This work was supported by NASA Planetary Atmospheres grant NX12AI69G and NASA Astrophysics Data Analysis Program grant NNX13AF38G.

31 CFR 375.23 - How does the securities delivery process work?

Code of Federal Regulations, 2011 CFR

2011-07-01

... 31 Money and Finance:Treasury 2 2011-07-01 2011-07-01 false How does the securities delivery process work? 375.23 Section 375.23 Money and Finance: Treasury Regulations Relating to Money and Finance... transfer the correct book-entry Treasury securities in the correct par amount against the correct...

31 CFR 375.23 - How does the securities delivery process work?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 31 Money and Finance: Treasury 2 2014-07-01 2014-07-01 false How does the securities delivery process work? 375.23 Section 375.23 Money and Finance: Treasury Regulations Relating to Money and Finance... transfer the correct book-entry Treasury securities in the correct par amount against the correct...

31 CFR 375.23 - How does the securities delivery process work?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 31 Money and Finance:Treasury 2 2012-07-01 2012-07-01 false How does the securities delivery process work? 375.23 Section 375.23 Money and Finance: Treasury Regulations Relating to Money and Finance... transfer the correct book-entry Treasury securities in the correct par amount against the correct...

31 CFR 375.23 - How does the securities delivery process work?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 31 Money and Finance:Treasury 2 2013-07-01 2013-07-01 false How does the securities delivery process work? 375.23 Section 375.23 Money and Finance: Treasury Regulations Relating to Money and Finance... transfer the correct book-entry Treasury securities in the correct par amount against the correct...

Elaborated Corrective Feedback and the Acquisition of Reasoning Skills: A Study of Computer-Assisted Instruction.

ERIC Educational Resources Information Center

Collins, Maria; And Others

1987-01-01

Thirteen learning disabled and 15 remedial high school students were taught reasoning skills using computer-assisted instruction and were given basic or elaborated corrections. Criterion-referenced test scores were significantly higher for the elaborated-corrections treatment on the post- and maintenance tests and on a transfer test assessing…

System and method for transferring data on a data link

NASA Technical Reports Server (NTRS)

Cole, Robert M. (Inventor); Bishop, James E. (Inventor)

2007-01-01

A system and method are provided for transferring a packet across a data link. The packet may include a stream of data symbols which is delimited by one or more framing symbols. Corruptions of the framing symbol which result in valid data symbols may be mapped to invalid symbols. If it is desired to transfer one of the valid data symbols that has been mapped to an invalid symbol, the data symbol may be replaced with an unused symbol. At the receiving end, these unused symbols are replaced with the corresponding valid data symbols. The data stream of the packet may be encoded with forward error correction information to detect and correct errors in the data stream.

Ion recombination correction in carbon ion beams.

PubMed

Rossomme, S; Hopfgartner, J; Lee, N D; Delor, A; Thomas, R A S; Romano, F; Fukumura, A; Vynckier, S; Palmans, H

2016-07-01

In this work, ion recombination is studied as a function of energy and depth in carbon ion beams. Measurements were performed in three different passively scattered carbon ion beams with energies of 62 MeV/n, 135 MeV/n, and 290 MeV/n using various types of plane-parallel ionization chambers. Experimental results were compared with two analytical models for initial recombination. One model is generally used for photon beams and the other model, developed by Jaffé, takes into account the ionization density along the ion track. An investigation was carried out to ascertain the effect on the ion recombination correction with varying ionization chamber orientation with respect to the direction of the ion tracks. The variation of the ion recombination correction factors as a function of depth was studied for a Markus ionization chamber in the 62 MeV/n nonmodulated carbon ion beam. This variation can be related to the depth distribution of linear energy transfer. Results show that the theory for photon beams is not applicable to carbon ion beams. On the other hand, by optimizing the value of the ionization density and the initial mean-square radius, good agreement is found between Jaffé's theory and the experimental results. As predicted by Jaffé's theory, the results confirm that ion recombination corrections strongly decrease with an increasing angle between the ion tracks and the electric field lines. For the Markus ionization chamber, the variation of the ion recombination correction factor with depth was modeled adequately by a sigmoid function, which is approximately constant in the plateau and strongly increasing in the Bragg peak region to values of up to 1.06. Except in the distal edge region, all experimental results are accurately described by Jaffé's theory. Experimental results confirm that ion recombination in the investigated carbon ion beams is dominated by initial recombination. Ion recombination corrections are found to be significant and cannot be neglected for reference dosimetry and for the determination of depth dose curves in carbon ion beams.

Relativistic theory for time and frequency transfer to order c-3

NASA Astrophysics Data System (ADS)

Blanchet, L.; Salomon, C.; Teyssandier, P.; Wolf, P.

2001-04-01

This paper is motivated by the current development of several space missions (e.g. ACES on International Space Station) that will use Earth-orbit laser cooled atomic clocks, providing a time-keeping accuracy of the order of 5 10-17 in fractional frequency. We show that to such accuracy, the theory of frequency transfer between Earth and Space must be extended from the currently known relativistic order 1/c2 (which has been needed in previous space experiments such as GP-A) to the next relativistic correction of order 1/c3. We find that the frequency transfer includes the first and second-order Doppler contributions, the Einstein gravitational red-shift and, at the order 1/c3, a mixture of these effects. As for the time transfer, it contains the standard Shapiro time delay, and we present an expression also including the first and second-order Sagnac corrections. Higher-order relativistic corrections, at least {cal O}(1/c4), are numerically negligible for time and frequency transfers in these experiments, being for instance of order 10-20 in fractional frequency. Particular attention is paid to the problem of the frequency transfer in the two-way experimental configuration. In this case we find a simple theoretical expression which extends the previous formula (Vessot et al. \\cite{VessotLevine}) to the next order 1/c3. In the Appendix we present the detailed proofs of all the formulas which will be needed in such experiments.

Temperature dependent structural and dynamical properties of liquid Cu80Si20 binary alloy

NASA Astrophysics Data System (ADS)

Suthar, P. H.; Shah, A. K.; Gajjar, P. N.

2018-05-01

Ashcroft and Langreth binary structure factor have been used to study for pair correlation function and the study of dynamical variable: velocity auto correlation functions, power spectrum and mean square displacement calculated based on the static harmonic well approximation in liquid Cu80Si20 binary alloy at wide temperature range (1140K, 1175K, 1210K, 1250K, 1373K, 1473K.). The effective interaction for the binary alloy is computed by our well established local pseudopotential along with the exchange and correction functions Sarkar et al(S). The negative dip in velocity auto correlation decreases as the various temperature is increases. For power spectrum as temperature increases, the peak of power spectrum shifts toward lower ω. Good agreement with the experiment is observed for the pair correlation functions. Velocity auto correlation showing the transferability of the local pseudopotential used for metallic liquid environment in the case of copper based binary alloys.

On the origins of chemical exchange saturation transfer (CEST) contrast in tumors at 9.4 T.

PubMed

Xu, Junzhong; Zaiss, Moritz; Zu, Zhongliang; Li, Hua; Xie, Jingping; Gochberg, Daniel F; Bachert, Peter; Gore, John C

2014-04-01

Chemical exchange saturation transfer (CEST) provides an indirect means to detect exchangeable protons within tissues through their effects on the water signal. Previous studies have suggested that amide proton transfer (APT) imaging, a specific form of CEST, detects endogenous amide protons with a resonance frequency offset 3.5 ppm downfield from water, and thus may be sensitive to variations in mobile proteins/peptides in tumors. However, as CEST measurements are influenced by various confounding effects, such as spillover saturation, magnetization transfer (MT) and MT asymmetry, the mechanism or degree of increased APT signal in tumors is not certain. In addition to APT, nuclear Overhauser enhancement (NOE) effects upfield from water may also provide distinct information on tissue composition. In the current study, APT, NOE and several other MR parameters were measured and compared comprehensively in order to elucidate the origins of APT and NOE contrasts in tumors at 9.4 T. In addition to conventional CEST methods, a new intrinsic inverse metric was applied to correct for relaxation and other effects. After corrections for spillover, MT and T1 effects, corrected APT in tumors was found not to be significantly different from that in normal tissues, but corrected NOE effects in tumors showed significant decreases compared with those in normal tissues. Biochemical measurements verified that there was no significant enhancement of protein contents in the tumors studied, consistent with the corrected APT measurements and previous literature, whereas quantitative MT data showed decreases in the fractions of immobile macromolecules in tumors. Our results may assist in the better understanding of the contrast depicted by CEST imaging in tumors, and in the development of improved APT and NOE measurements for cancer imaging. Copyright © 2014 John Wiley & Sons, Ltd.

Precision measurement of longitudinal and transverse response functions of quasi-elastic electron scattering in the momentum transfer range 0.55GeV/c lte math| lte 0.9GeV/c

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

Huan Yao, Jefferson Lab Hall A Collaboration, E05-110 Collaboration

2012-04-01

In order to test the Coulomb sum rule in nuclei, a precision measurement of inclusive electron scattering cross sections in the quasi-elastic region was performed at Jefferson Lab. Incident electrons of energies ranging from 0.4 GeV/c to 4 GeV/c scattered off {sup 4}He, {sup 12}C, {sup 56}Fe and {sup 208}Pb nuclei at four scattering angles (15deg., 60deg., 90deg., 120deg.) and scattered energies ranging from 0.1 GeV/c to 4 GeV/c. The Rosenbluth method with proper Coulomb corrections is used to extract the transverse and longitudinal response functions at three-momentum transfers 0.55 GeV/c {le} |q{yields}| {le} 1.0 GeV/c. The Coulomb Sum ismore » determined in the same |q{yields}| range as mentioned above and will be compared to predictions. Analysis progress and preliminary results will be presented.« less

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

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

Jonsson, Jacob C.; Branden, Henrik

2006-10-19

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

Integrated Doppler Correction to TWSTFT Using Round-Trip Measurement

DTIC Science & Technology

2010-11-01

42 nd Annual Precise Time and Time Interval (PTTI) Meeting 251 INTEGRATED DOPPLER CORRECTION TO TWSTFT USING ROUND-TRIP MEASUREMENT Yi...Frequency Transfer ( TWSTFT ) data. It is necessary to correct the diurnal variation for comparing the time-scale difference. We focus on the up-/downlink...delay difference caused by satellite motion. In this paper, we propose to correct the TWSTFT data by using round-trip delay measurement. There are

40 CFR 97.523 - Recordation of TR NOX Ozone Season allowance transfers.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 22 2013-07-01 2013-07-01 false Recordation of TR NOX Ozone Season... TR NOX Ozone Season Trading Program § 97.523 Recordation of TR NOX Ozone Season allowance transfers... NOX Ozone Season allowance transfer that is correctly submitted under § 97.522, the Administrator will...

40 CFR 97.523 - Recordation of TR NOX Ozone Season allowance transfers.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 21 2014-07-01 2014-07-01 false Recordation of TR NOX Ozone Season... TR NOX Ozone Season Trading Program § 97.523 Recordation of TR NOX Ozone Season allowance transfers... NOX Ozone Season allowance transfer that is correctly submitted under § 97.522, the Administrator will...

40 CFR 97.523 - Recordation of TR NOX Ozone Season allowance transfers.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 22 2012-07-01 2012-07-01 false Recordation of TR NOX Ozone Season... TR NOX Ozone Season Trading Program § 97.523 Recordation of TR NOX Ozone Season allowance transfers... NOX Ozone Season allowance transfer that is correctly submitted under § 97.522, the Administrator will...

Multi-spectrometer calibration transfer based on independent component analysis.

PubMed

Liu, Yan; Xu, Hao; Xia, Zhenzhen; Gong, Zhiyong

2018-02-26

Calibration transfer is indispensable for practical applications of near infrared (NIR) spectroscopy due to the need for precise and consistent measurements across different spectrometers. In this work, a method for multi-spectrometer calibration transfer is described based on independent component analysis (ICA). A spectral matrix is first obtained by aligning the spectra measured on different spectrometers. Then, by using independent component analysis, the aligned spectral matrix is decomposed into the mixing matrix and the independent components of different spectrometers. These differing measurements between spectrometers can then be standardized by correcting the coefficients within the independent components. Two NIR datasets of corn and edible oil samples measured with three and four spectrometers, respectively, were used to test the reliability of this method. The results of both datasets reveal that spectra measurements across different spectrometers can be transferred simultaneously and that the partial least squares (PLS) models built with the measurements on one spectrometer can predict that the spectra can be transferred correctly on another.

Bio-Optics of the Chesapeake Bay from Measurements and Radiative Transfer Calculations

NASA Technical Reports Server (NTRS)

Tzortziou, Maria; Herman, Jay R.; Gallegos, Charles L.; Neale, Patrick J.; Subramaniam, Ajit; Harding, Lawrence W., Jr.; Ahmad, Ziauddin

2005-01-01

We combined detailed bio-optical measurements and radiative transfer (RT) modeling to perform an optical closure experiment for optically complex and biologically productive Chesapeake Bay waters. We used this experiment to evaluate certain assumptions commonly used when modeling bio-optical processes, and to investigate the relative importance of several optical characteristics needed to accurately model and interpret remote sensing ocean-color observations in these Case 2 waters. Direct measurements were made of the magnitude, variability, and spectral characteristics of backscattering and absorption that are critical for accurate parameterizations in satellite bio-optical algorithms and underwater RT simulations. We found that the ratio of backscattering to total scattering in the mid-mesohaline Chesapeake Bay varied considerably depending on particulate loading, distance from land, and mixing processes, and had an average value of 0.0128 at 530 nm. Incorporating information on the magnitude, variability, and spectral characteristics of particulate backscattering into the RT model, rather than using a volume scattering function commonly assumed for turbid waters, was critical to obtaining agreement between RT calculations and measured radiometric quantities. In situ measurements of absorption coefficients need to be corrected for systematic overestimation due to scattering errors, and this correction commonly employs the assumption that absorption by particulate matter at near infrared wavelengths is zero.

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.

Acceleration of incremental-pressure-correction incompressible flow computations using a coarse-grid projection method

NASA Astrophysics Data System (ADS)

Kashefi, Ali; Staples, Anne

2016-11-01

Coarse grid projection (CGP) methodology is a novel multigrid method for systems involving decoupled nonlinear evolution equations and linear elliptic equations. The nonlinear equations are solved on a fine grid and the linear equations are solved on a corresponding coarsened grid. Mapping functions transfer data between the two grids. Here we propose a version of CGP for incompressible flow computations using incremental pressure correction methods, called IFEi-CGP (implicit-time-integration, finite-element, incremental coarse grid projection). Incremental pressure correction schemes solve Poisson's equation for an intermediate variable and not the pressure itself. This fact contributes to IFEi-CGP's efficiency in two ways. First, IFEi-CGP preserves the velocity field accuracy even for a high level of pressure field grid coarsening and thus significant speedup is achieved. Second, because incremental schemes reduce the errors that arise from boundaries with artificial homogenous Neumann conditions, CGP generates undamped flows for simulations with velocity Dirichlet boundary conditions. Comparisons of the data accuracy and CPU times for the incremental-CGP versus non-incremental-CGP computations are presented.

Estimation of surface temperature in remote pollution measurement experiments

NASA Technical Reports Server (NTRS)

Gupta, S. K.; Tiwari, S. N.

1978-01-01

A simple algorithm has been developed for estimating the actual surface temperature by applying corrections to the effective brightness temperature measured by radiometers mounted on remote sensing platforms. Corrections to effective brightness temperature are computed using an accurate radiative transfer model for the 'basic atmosphere' and several modifications of this caused by deviations of the various atmospheric and surface parameters from their base model values. Model calculations are employed to establish simple analytical relations between the deviations of these parameters and the additional temperature corrections required to compensate for them. Effects of simultaneous variation of two parameters are also examined. Use of these analytical relations instead of detailed radiative transfer calculations for routine data analysis results in a severalfold reduction in computation costs.

An industrial perspective of the LANDSAT opportunity

NASA Technical Reports Server (NTRS)

Williams, B. F.

1981-01-01

The feasibility of enhancing LANDSAT products to provide the greatest usability low cost data possible can be determined through government sponsorship and finance of one or more task forces composed of a critical number of experts in multiple disciplines from many industries and academia. The synergism of multiple minds addressing singular problems without the creation of permanent or perpetual structures must yield output in the form of implementable specifications, even if presented as alternatives. Changes are needed within the spacecraft in order to account for Sun angle changes. The use of pointing accuracy to make geometric corrections (and possible radiometric corrections, is needed more than onboard data reduction and information extraction, which assume a proper knowledge of application and reduce potential utilization. Multilinear arrays need to be investigated and methods for sensor calibration and for determining the effects of atmospheric inversion, as well as the best way to back out the modulation transfer function must be determined.

Temporal and spatial mapping of atmospheric dust opacity and surface albedo on Mars

NASA Technical Reports Server (NTRS)

Lee, S. W.; Clancy, R. T.; Gladstone, G. R.; Martin, T. Z.

1993-01-01

The Mariner 9 and Viking missions provided abundant evidence that eolian processes are active over much of the surface of Mars. Past studies have demonstrated that variations in regional albedo and wind streak patterns are indicative of sediment transport through a region, while thermal inertia data (derived from the Viking Infrared Thermal Mapper (IRTM) datasets) are indicative of the degree of surface mantling by dust deposits. We are making use of the method developed by T. Z. Martin to determine dust opacity from IRTM thermal observations. We have developed a radiative transfer model that allows corrections for the effects of atmospheric dust loading on observations of surface albedo to be made. This approach to determining 'dust-corrected surface albedo' incorporates the atmospheric dust opacity, the single-scattering albedo and particle phase function of atmospheric dust, the bidirectional reflectance of the surface, and accounts for variable lighting and viewing geometry.

The Relative Contribution of Interaural Time and Magnitude Cues to Dynamic Sound Localization

NASA Technical Reports Server (NTRS)

Wenzel, Elizabeth M.; Null, Cynthia H. (Technical Monitor)

1995-01-01

This paper presents preliminary data from a study examining the relative contribution of interaural time differences (ITDs) and interaural level differences (ILDs) to the localization of virtual sound sources both with and without head motion. The listeners' task was to estimate the apparent direction and distance of virtual sources (broadband noise) presented over headphones. Stimuli were synthesized from minimum phase representations of nonindividualized directional transfer functions; binaural magnitude spectra were derived from the minimum phase estimates and ITDs were represented as a pure delay. During dynamic conditions, listeners were encouraged to move their heads; the position of the listener's head was tracked and the stimuli were synthesized in real time using a Convolvotron to simulate a stationary external sound source. ILDs and ITDs were either correctly or incorrectly correlated with head motion: (1) both ILDs and ITDs correctly correlated, (2) ILDs correct, ITD fixed at 0 deg azimuth and 0 deg elevation, (3) ITDs correct, ILDs fixed at 0 deg, 0 deg. Similar conditions were run for static conditions except that none of the cues changed with head motion. The data indicated that, compared to static conditions, head movements helped listeners to resolve confusions primarily when ILDs were correctly correlated, although a smaller effect was also seen for correct ITDs. Together with the results for static conditions, the data suggest that localization tends to be dominated by the cue that is most reliable or consistent, when reliability is defined by consistency over time as well as across frequency bands.

In medium dispersion relation effects in nuclear inclusive reactions at intermediate and low energies

NASA Astrophysics Data System (ADS)

Nieves, Juan; Sobczyk, Joanna E.

2017-08-01

In a well-established many-body framework, successful in modeling a great variety of nuclear processes, we analyze the role of the spectral functions (SFs) accounting for the modifications of the dispersion relation of nucleons embedded in a nuclear medium. We concentrate in processes mostly governed by one-body mechanisms, and study possible approximations to evaluate the particle-hole propagator using SFs. We also investigate how to include together SFs and long-range RPA-correlation corrections in the evaluation of nuclear response functions, discussing the existing interplay between both type of nuclear effects. At low energy transfers (≤ 50 MeV), we compare our predictions for inclusive muon and radiative pion captures in nuclei, and charge-current (CC) neutrino-nucleus cross sections with experimental results. We also present an analysis of intermediate energy quasi-elastic neutrino scattering for various targets and both neutrino and antineutrino CC driven processes. In all cases, we pay special attention to estimate the uncertainties affecting the theoretical predictions. In particular, we show that errors on the σμ /σe ratio are much smaller than 5%, and also much smaller than the size of the SF+RPA nuclear corrections, which produce significant effects, not only in the individual cross sections, but also in their ratio for neutrino energies below 400 MeV. These latter nuclear corrections, beyond Pauli blocking, turn out to be thus essential to achieve a correct theoretical understanding of this ratio of cross sections of interest for appearance neutrino oscillation experiments. We also briefly compare our SF and RPA results to predictions obtained within other representative approaches.

Aging of imaging properties of a CMOS flat-panel detector for dental cone-beam computed tomography

NASA Astrophysics Data System (ADS)

Kim, D. W.; Han, J. C.; Yun, S.; Kim, H. K.

2017-01-01

We have experimentally investigated the long-term stability of imaging properties of a flat-panel detector in conditions used for dental x-ray imaging. The detector consists of a CsI:Tl layer and CMOS photodiode pixel arrays. Aging simulations were carried out using an 80-kVp x-ray beam at an air-kerma rate of approximately 5 mGy s-1 at the entrance surface of the detector with a total air kerma of up to 0.6 kGy. Dark and flood-field images were periodically obtained during irradiation, and the mean signal and noise levels were evaluated for each image. We also evaluated the modulation-transfer function (MTF), noise-power spectrum (NPS), and detective quantum efficiency (DQE). The aging simulation showed a decrease in both the signal and noise of the gain-offset-corrected images, but there was negligible change in the signal-to-noise performance as a function of the accumulated dose. The gain-offset correction for analyzing images resulted in negligible changes in MTF, NPS, and DQE results over the total dose. Continuous x-ray exposure to a detector can cause degradation in the physical performance factors such the detector sensitivity, but linear analysis of the gain-offset-corrected images can assure integrity of the imaging properties of a detector during its lifetime.

A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence

PubMed Central

Luis, Daniel Porfirio; García-González, Alcione; Saint-Martin, Humberto

2016-01-01

Monte Carlo and molecular dynamics simulations were done with three recent water models TIP4P/2005 (Transferable Intermolecular Potential with 4 Points/2005), TIP4P/Ice (Transferable Intermolecular Potential with 4 Points/ Ice) and TIP4Q (Transferable Intermolecular Potential with 4 charges) combined with two models for methane: an all-atom one OPLS-AA (Optimal Parametrization for the Liquid State) and a united-atom one (UA); a correction for the C–O interaction was applied to the latter and used in a third set of simulations. The models were validated by comparison to experimental values of the free energy of hydration at 280, 300, 330 and 370 K, all under a pressure of 1 bar, and to the experimental radial distribution functions at 277, 283 and 291 K, under a pressure of 145 bar. Regardless of the combination rules used for σC,O, good agreement was found, except when the correction to the UA model was applied. Thus, further simulations of the sI hydrate were performed with the united-atom model to compare the thermal expansivity to the experiment. A final set of simulations was done with the UA methane model and the three water models, to study the sI hydrate-liquid water-gas coexistence at 80, 230 and 400 bar. The melting temperatures were compared to the experimental values. The results show the need to perform simulations with various different models to attain a reliable and robust molecular image of the systems of interest. PMID:27240339

Laboratory techniques for human embryos.

PubMed

Geber, Selmo; Sales, Liana; Sampaio, Marcos A C

2002-01-01

This review is concerned with laboratory techniques needed for assisted conception, particularly the handling of gametes and embryos. Such methods are being increasingly refined. Successive stages of fertilization and embryogenesis require especial care, and often involve the use of micromanipulative methods for intracytoplasmic sperm injection (ICSI) or preimplantation genetic diagnosis. Embryologists must take responsibility for gamete collection and preparation, and for deciding on the means of insemination or ICSI. Embryos must be assessed in culture, during the 1-cell, cleaving and morula/blastocyst stages, and classified according to quality. Co-culture methods may be necessary. The best embryos for transfer must be selected and loaded into the transfer catheter. Embryos not transferred must be cryopreserved, which demands the correct application of current methods of media preparation, seeding and the correct speed for cooling and warming. Before too long, methods of detecting abnormal embryos and avoiding their transfer may become widespread.

Design and experimental testing of air slab caps which convert commercial electron diodes into dual purpose, correction-free diodes for small field dosimetry.

PubMed

Charles, P H; Cranmer-Sargison, G; Thwaites, D I; Kairn, T; Crowe, S B; Pedrazzini, G; Aland, T; Kenny, J; Langton, C M; Trapp, J V

2014-10-01

Two diodes which do not require correction factors for small field relative output measurements are designed and validated using experimental methodology. This was achieved by adding an air layer above the active volume of the diode detectors, which canceled out the increase in response of the diodes in small fields relative to standard field sizes. Due to the increased density of silicon and other components within a diode, additional electrons are created. In very small fields, a very small air gap acts as an effective filter of electrons with a high angle of incidence. The aim was to design a diode that balanced these perturbations to give a response similar to a water-only geometry. Three thicknesses of air were placed at the proximal end of a PTW 60017 electron diode (PTWe) using an adjustable "air cap". A set of output ratios (ORDet (fclin) ) for square field sizes of side length down to 5 mm was measured using each air thickness and compared to ORDet (fclin) measured using an IBA stereotactic field diode (SFD). kQclin,Qmsr (fclin,fmsr) was transferred from the SFD to the PTWe diode and plotted as a function of air gap thickness for each field size. This enabled the optimal air gap thickness to be obtained by observing which thickness of air was required such that kQclin,Qmsr (fclin,fmsr) was equal to 1.00 at all field sizes. A similar procedure was used to find the optimal air thickness required to make a modified Sun Nuclear EDGE detector (EDGEe) which is "correction-free" in small field relative dosimetry. In addition, the feasibility of experimentally transferring kQclin,Qmsr (fclin,fmsr) values from the SFD to unknown diodes was tested by comparing the experimentally transferred kQclin,Qmsr (fclin,fmsr) values for unmodified PTWe and EDGEe diodes to Monte Carlo simulated values. 1.0 mm of air was required to make the PTWe diode correction-free. This modified diode (PTWeair) produced output factors equivalent to those in water at all field sizes (5-50 mm). The optimal air thickness required for the EDGEe diode was found to be 0.6 mm. The modified diode (EDGEeair) produced output factors equivalent to those in water, except at field sizes of 8 and 10 mm where it measured approximately 2% greater than the relative dose to water. The experimentally calculated kQclin,Qmsr (fclin,fmsr) for both the PTWe and the EDGEe diodes (without air) matched Monte Carlo simulated results, thus proving that it is feasible to transfer kQclin,Qmsr (fclin,fmsr) from one commercially available detector to another using experimental methods and the recommended experimental setup. It is possible to create a diode which does not require corrections for small field output factor measurements. This has been performed and verified experimentally. The ability of a detector to be "correction-free" depends strongly on its design and composition. A nonwater-equivalent detector can only be "correction-free" if competing perturbations of the beam cancel out at all field sizes. This should not be confused with true water equivalency of a detector.

Beyond multi-fractals: surrogate time series and fields

NASA Astrophysics Data System (ADS)

Venema, V.; Simmer, C.

2007-12-01

Most natural complex are characterised by variability on a large range of temporal and spatial scales. The two main methodologies to generate such structures are Fourier/FARIMA based algorithms and multifractal methods. The former is restricted to Gaussian data, whereas the latter requires the structure to be self-similar. This work will present so-called surrogate data as an alternative that works with any (empirical) distribution and power spectrum. The best-known surrogate algorithm is the iterative amplitude adjusted Fourier transform (IAAFT) algorithm. We have studied six different geophysical time series (two clouds, runoff of a small and a large river, temperature and rain) and their surrogates. The power spectra and consequently the 2nd order structure functions were replicated accurately. Even the fourth order structure function was more accurately reproduced by the surrogates as would be possible by a fractal method, because the measured structure deviated too strong from fractal scaling. Only in case of the daily rain sums a fractal method could have been more accurate. Just as Fourier and multifractal methods, the current surrogates are not able to model the asymmetric increment distributions observed for runoff, i.e., they cannot reproduce nonlinear dynamical processes that are asymmetric in time. Furthermore, we have found differences for the structure functions on small scales. Surrogate methods are especially valuable for empirical studies, because the time series and fields that are generated are able to mimic measured variables accurately. Our main application is radiative transfer through structured clouds. Like many geophysical fields, clouds can only be sampled sparsely, e.g. with in-situ airborne instruments. However, for radiative transfer calculations we need full 3-dimensional cloud fields. A first study relating the measured properties of the cloud droplets and the radiative properties of the cloud field by generating surrogate cloud fields yielded good results within the measurement error. A further test of the suitability of the surrogate clouds for radiative transfer is evaluated by comparing the radiative properties of model cloud fields of sparse cumulus and stratocumulus with their surrogate fields. The bias and root mean square error in various radiative properties is small and the deviations in the radiances and irradiances are not statistically significant, i.e. these deviations can be attributed to the Monte Carlo noise of the radiative transfer calculations. We compared these results with optical properties of synthetic clouds that have either the correct distribution (but no spatial correlations) or the correct power spectrum (but a Gaussian distribution). These clouds did show statistical significant deviations. For more information see: http://www.meteo.uni-bonn.de/venema/themes/surrogates/

T1- and T2*-dominant extravasation correction in DSC-MRI: Part I—theoretical considerations and implications for assessment of tumor hemodynamic properties

PubMed Central

Bjornerud, Atle; Sorensen, A Gregory; Mouridsen, Kim; Emblem, Kyrre E

2011-01-01

We present a novel contrast agent (CA) extravasation-correction method based on analysis of the tissue residue function for assessment of multiple hemodynamic parameters. The method enables semiquantitative determination of the transfer constant and can be used to distinguish between T1- and T2*-dominant extravasation effects, while being insensitive to variations in tissue mean transit time (MTT). Results in 101 patients with confirmed glioma suggest that leakage-corrected absolute cerebral blood volume (CBV) values obtained with the proposed method provide improved overall survival prediction compared with normalized CBV values combined with an established leakage-correction method. Using a standard gradient-echo echo-planar imaging sequence, ∼60% and 10% of tumors with detectable CA extravasation mainly exhibited T1- and T2*-dominant leakage effects, respectively. The remaining 30% of leaky tumors had mixed T1- and T2*-dominant effects. Using an MTT-sensitive correction method, our results show that CBV is underestimated when tumor MTT is significantly longer than MTT in the reference tissue. Furthermore, results from our simulations suggest that the relative contribution of T1- versus T2*-dominant extravasation effects is strongly dependent on the effective transverse relaxivity in the extravascular space and may thus be a potential marker for cellular integrity and tissue structure. PMID:21505483

76 FR 52346 - Public Land Order No. 7760; Extension of Public Land Order No. 6839; Alaska; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-22

... Survey facility encumbers 45 acres for the Barrow Magnetic Observatory.'' is hereby corrected to read... Magnetic Observatory.'' Robert L. Lloyd, Supervisor, Lands, Realty and Title Transfer Program, Division of...

Alignment algorithms and per-particle CTF correction for single particle cryo-electron tomography.

PubMed

Galaz-Montoya, Jesús G; Hecksel, Corey W; Baldwin, Philip R; Wang, Eryu; Weaver, Scott C; Schmid, Michael F; Ludtke, Steven J; Chiu, Wah

2016-06-01

Single particle cryo-electron tomography (cryoSPT) extracts features from cryo-electron tomograms, followed by 3D classification, alignment and averaging to generate improved 3D density maps of such features. Robust methods to correct for the contrast transfer function (CTF) of the electron microscope are necessary for cryoSPT to reach its resolution potential. Many factors can make CTF correction for cryoSPT challenging, such as lack of eucentricity of the specimen stage, inherent low dose per image, specimen charging, beam-induced specimen motions, and defocus gradients resulting both from specimen tilting and from unpredictable ice thickness variations. Current CTF correction methods for cryoET make at least one of the following assumptions: that the defocus at the center of the image is the same across the images of a tiltseries, that the particles all lie at the same Z-height in the embedding ice, and/or that the specimen, the cryo-electron microscopy (cryoEM) grid and/or the carbon support are flat. These experimental conditions are not always met. We have developed a CTF correction algorithm for cryoSPT without making any of the aforementioned assumptions. We also introduce speed and accuracy improvements and a higher degree of automation to the subtomogram averaging algorithms available in EMAN2. Using motion-corrected images of isolated virus particles as a benchmark specimen, recorded with a DE20 direct detection camera, we show that our CTF correction and subtomogram alignment routines can yield subtomogram averages close to 4/5 Nyquist frequency of the detector under our experimental conditions. Copyright © 2016 Elsevier Inc. All rights reserved.

Alignment Algorithms and Per-Particle CTF Correction for Single Particle Cryo-Electron Tomography

PubMed Central

Galaz-Montoya, Jesús G.; Hecksel, Corey W.; Baldwin, Philip R.; Wang, Eryu; Weaver, Scott C.; Schmid, Michael F.; Ludtke, Steven J.; Chiu, Wah

2016-01-01

Single particle cryo-electron tomography (cryoSPT) extracts features from cryo-electron tomograms, followed by 3D classification, alignment and averaging to generate improved 3D density maps of such features. Robust methods to correct for the contrast transfer function (CTF) of the electron microscope are necessary for cryoSPT to reach its resolution potential. Many factors can make CTF correction for cryoSPT challenging, such as lack of eucentricity of the specimen stage, inherent low dose per image, specimen charging, beam-induced specimen motions, and defocus gradients resulting both from specimen tilting and from unpredictable ice thickness variations. Current CTF correction methods for cryoET make at least one of the following assumptions: that the defocus at the center of the image is the same across the images of a tiltseries, that the particles all lie at the same Z-height in the embedding ice, and/or that the specimen grid and carbon support are flat. These experimental conditions are not always met. We have developed a CTF correction algorithm for cryoSPT without making any of the aforementioned assumptions. We also introduce speed and accuracy improvements and a higher degree of automation to the subtomogram averaging algorithms available in EMAN2. Using motion-corrected images of isolated virus particles as a benchmark specimen, recorded with a DE20 direct detection camera, we show that our CTF correction and subtomogram alignment routines can yield subtomogram averages close to 4/5 Nyquist frequency of the detector under our experimental conditions. PMID:27016284

78 FR 68688 - Airworthiness Directives; EADS CASA (Type Certificate Previously Held by Construcciones...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-15

... fuel transfer system. We are issuing this AD to detect and correct damage to certain fuel booster pumps... problem with the fuel transfer system. The results of the subsequent investigation revealed damage on the... was prompted by a report of an in-flight problem with the fuel transfer system. We are issuing this AD...

Personalized pseudophakic model

NASA Astrophysics Data System (ADS)

Ribeiro, F.; Castanheira-Dinis, A.; Dias, J. M.

2014-08-01

With the aim of taking into account all optical aberrations, a personalized pseudophakic optical model was designed for refractive evaluation using ray tracing software. Starting with a generic model, all clinically measurable data were replaced by personalized measurements. Data from corneal anterior and posterior surfaces were imported from a grid of elevation data obtained by topography, and a formula for the calculation of the intraocular lens (IOL) position was developed based on the lens equator. For the assessment of refractive error, a merit function minimized by the approximation of the Modulation Transfer Function values to diffraction limit values on the frequencies corresponding up to the discrimination limits of the human eye, weighted depending on the human contrast sensitivity function, was built. The model was tested on the refractive evaluation of 50 pseudophakic eyes. The developed model shows good correlation with subjective evaluation of a pseudophakic population, having the added advantage of being independent of corrective factors, allowing it to be immediately adaptable to new technological developments. In conclusion, this personalized model, which uses individual biometric values, allows for a precise refractive assessment and is a valuable tool for an accurate IOL power calculation, including in conditions to which population averages and the commonly used regression correction factors do not apply, thus achieving the goal of being both personalized and universally applicable.

Radiative transfer simulations of the two-dimensional ocean glint reflectance and determination of the sea surface roughness.

PubMed

Lin, Zhenyi; Li, Wei; Gatebe, Charles; Poudyal, Rajesh; Stamnes, Knut

2016-02-20

An optimized discrete-ordinate radiative transfer model (DISORT3) with a pseudo-two-dimensional bidirectional reflectance distribution function (BRDF) is used to simulate and validate ocean glint reflectances at an infrared wavelength (1036 nm) by matching model results with a complete set of BRDF measurements obtained from the NASA cloud absorption radiometer (CAR) deployed on an aircraft. The surface roughness is then obtained through a retrieval algorithm and is used to extend the simulation into the visible spectral range where diffuse reflectance becomes important. In general, the simulated reflectances and surface roughness information are in good agreement with the measurements, and the diffuse reflectance in the visible, ignored in current glint algorithms, is shown to be important. The successful implementation of this new treatment of ocean glint reflectance and surface roughness in DISORT3 will help improve glint correction algorithms in current and future ocean color remote sensing applications.

Radiative Transfer Simulations of the Two-Dimensional Ocean Glint Reflectance and Determination of the Sea Surface Roughness

NASA Technical Reports Server (NTRS)

Lin, Zhenyi; Li, Wei; Gatebe, Charles; Poudyal, Rajesh; Stamnes, Knut

2016-01-01

An optimized discrete-ordinate radiative transfer model (DISORT3) with a pseudo-two-dimensional bidirectional reflectance distribution function (BRDF) is used to simulate and validate ocean glint reflectances at an infrared wavelength (1036 nm) by matching model results with a complete set of BRDF measurements obtained from the NASA cloud absorption radiometer (CAR) deployed on an aircraft. The surface roughness is then obtained through a retrieval algorithm and is used to extend the simulation into the visible spectral range where diffuse reflectance becomes important. In general, the simulated reflectances and surface roughness information are in good agreement with the measurements, and the diffuse reflectance in the visible, ignored in current glint algorithms, is shown to be important. The successful implementation of this new treatment of ocean glint reflectance and surface roughness in DISORT3 will help improve glint correction algorithms in current and future ocean color remote sensing applications.

Exciton characteristics in graphene epoxide.

PubMed

Zhu, Xi; Su, Haibin

2014-02-25

Exciton characteristics in graphene epoxide (GE) are investigated by density functional theory with quasi-particle corrections and many-body interactions. The nature of the exciton is influenced by epoxide content and detailed geometric configurations. Two kinds of excitons are identified in GE: Frenkel-like exciton originated from the sp(2) carbon cluster and charge-transfer exciton formed by localized states involving both oxygen and carbon atoms. The unusual blue shift associated with the Frenkel-like exciton leaking is highlighted. One scaling relationship is proposed to address the power-law dependence of Frenkel-like exciton binding strength on its size. The charge-transfer exciton appears in GE samples with the high oxygen coverage. Particularly, the exciton in GE structures exhibits long lifetime by analyzing both radiative and nonradiative decay processes. This study sheds light on the potential applications of GE-based structures with attractive high quantum yield in light emission and optoelectronic technology.

Biomechanical comparison between the trapezius transfer and latissimus transfer for irreparable posterosuperior rotator cuff tears.

PubMed

Omid, Reza; Heckmann, Nathanael; Wang, Lawrence; McGarry, Michelle H; Vangsness, C Thomas; Lee, Thay Q

2015-10-01

The purpose of this study was to characterize the biomechanical effects of the lower trapezius transfer and to compare it with the latissimus dorsi transfer in a cadaveric model of a massive posterosuperior rotator cuff tear. Eight cadaveric shoulders were tested at 0°, 30°, and 60° of shoulder abduction. Range of motion, humeral rotational position due to muscle loading, joint reaction forces, and kinematics were measured. All specimens were tested in 4 conditions: intact, massive posterosuperior cuff tear, lower trapezius transfer, and latissimus dorsi transfer. A repeated-measures analysis of variance was used for statistical analysis. Internal rotation due to muscle loading increased with massive cuff tear compared with the intact condition (P < .05). The latissimus transfer corrected this change at 0° abduction, whereas the trapezius transfer corrected this at all abduction angles. The massive cuff tear decreased glenohumeral joint compression forces at all abduction angles; these forces were restored by the lower trapezius transfer (P < .05). At maximum humeral internal rotation and 0° of abduction, the humeral head apex shifted superiorly and laterally with massive cuff tear (P < .05); this shift was more closely restored to intact values by the trapezius transfer compared with the latissimus transfer (P < .05). The lower trapezius transfer is superior to the latissimus transfer at restoring native glenohumeral kinematics and joint reaction forces in our cadaveric model. It may be a promising treatment option for patients with a massive irreparable rotator cuff tear. Published by Elsevier Inc.

Uncertainty quantification for optical model parameters

DOE PAGES

Lovell, A. E.; Nunes, F. M.; Sarich, J.; ...

2017-02-21

Although uncertainty quantification has been making its way into nuclear theory, these methods have yet to be explored in the context of reaction theory. For example, it is well known that different parameterizations of the optical potential can result in different cross sections, but these differences have not been systematically studied and quantified. The purpose of our work is to investigate the uncertainties in nuclear reactions that result from fitting a given model to elastic-scattering data, as well as to study how these uncertainties propagate to the inelastic and transfer channels. We use statistical methods to determine a best fitmore » and create corresponding 95% confidence bands. A simple model of the process is fit to elastic-scattering data and used to predict either inelastic or transfer cross sections. In this initial work, we assume that our model is correct, and the only uncertainties come from the variation of the fit parameters. Here, we study a number of reactions involving neutron and deuteron projectiles with energies in the range of 5–25 MeV/u, on targets with mass A=12–208. We investigate the correlations between the parameters in the fit. The case of deuterons on 12C is discussed in detail: the elastic-scattering fit and the prediction of 12C(d,p) 13C transfer angular distributions, using both uncorrelated and correlated χ 2 minimization functions. The general features for all cases are compiled in a systematic manner to identify trends. This work shows that, in many cases, the correlated χ 2 functions (in comparison to the uncorrelated χ 2 functions) provide a more natural parameterization of the process. These correlated functions do, however, produce broader confidence bands. Further optimization may require improvement in the models themselves and/or more information included in the fit.« less

Blending Pan-European and local hydrological models for water resource assessment in Mediterranean areas: lessons learnt from a mountainous catchment

NASA Astrophysics Data System (ADS)

José Polo, María; José Pérez-Palazón, María; Saénz de Rodrigáñez, Marta; Pimentel, Rafael; Arheimer, Berit

2017-04-01

Global hydrological models provide scientists and technicians with distributed data over medium to large areas from which assessment of water resource planning and use can be easily performed. However, scale conflicts between global models' spatial resolution and the local significant spatial scales in heterogeneous areas usually pose a constraint for the direct use and application of these models' results. The SWICCA (Service for Water Indicators in Climate Change Adaptation) Platform developed under the Copernicus Climate Change Service (C3S) offers a wide range of both climate and hydrological indicators obtained on a global scale with different time and spatial resolutions. Among the different study cases supporting the SWICCA demonstration of local impact assessment, the Sierra Nevada study case (South Spain) is a representative example of mountainous coastal catchments in the Mediterranean region. This work shows the lessons learnt during the study case development to derive local impact indicator tailored to suit the local end-users of water resource in this snow-dominated area. Different approaches were followed to select the most accurate method to downscale the global data and variables to the local level in a highly abrupt topography, in a sequential step approach. 1) SWICCA global climate variable downscaling followed by river flow simulation from a local hydrological model in selected control points in the catchment, together with 2) SWICCA global river flow values downscaling to the control points followed by corrections with local transfer functions were both tested against the available local river flow series of observations during the reference period. This test was performed for the different models and the available spatial resolutions included in the SWICCA platform. From the results, the second option, that is, the use of SWICCA river flow variables, performed the best approximations, once the local transfer functions were applied to the global values and an additional correction was performed based on the relative anomalies obtained instead of the absolute values. This approach was used to derive the future projections of selected local indicators for each end-user in the area under different climate change scenarios. Despite the spatial scale conflicts, the SWICCA river flow indicators (simulated by the E-HYPEv3.1.2 model) succeeded in approximating the observations during the reference period 1970-2000 when provided on a catchment scale, once local transfer functions and further anomaly correction were performed. Satisfactory results were obtained on a monthly scale for river flow in the main stream of the watershed, and on a daily scale for the headwater streams. The accessibility to the hydrological model WiMMed, which includes a snow module, locally validated in the study area has been crucial to downscale the SWICCA results and prove their usefulness.

[Congenital club foot: treatment in childhood, outcome and problems in adulthood].

PubMed

Besse, J L; Leemrijse, T; Thémar-Noël, C; Tourné, Y

2006-04-01

PURPOSE OF THE SYMPOSIUM: Treatment of idiopathic talipes varus, or congenital clubfoot, is designed to re-align the foot to alleviate pain and allow plantigrade weight bearing with adequate joint motion despite the subnormal radiographic presentation. This symposium was held to review current management practices for congenital clubfoot in children and to analyze outcome in adults in order to propose the most appropriate therapeutic solutions. Idiopathic talipes varus can be suspected from the fetal ultrasound. Parents should be given precise information concerning proposed treatment after birth. Deviations must be assessed in the newborn then revised regularly using objective scales during and after the end of treatment. This enables a better apprehension of the evolution in comparison with the severity of the initial deformation. Conservative treatment is proposed by many teams: a functional approach (rehabilitation and minimal use of orthetic material) or the Ponseti method (progressive correction using casts associated with percutaneous tenotomy of the calcaneal tendon) are currently preferred. If such methods are insufficient or unsuccessful, surgery may be performed as needed at about 8 to 11 months to achieve posteromedial release. Good results are obtained in 80% of patients who generally present minimal residual deformations (adduction of the forefoot, minimal calcaneal varus, residual medial rotation, limitation of dorsal flexion), which must be followed regularly through growth. The difficulty is to distinguish acceptable from non-acceptable deformation. At the end of the growth phase, severe articular sequelae are rare (stiff joint, recurrence of initial deformation, overcorrection) but difficult to correct surgically: osteotomy, tendon transfer, double arthrodesis, Ilizarov fixator. Gait analysis is essential to quantify function and obtain an objective assessment of the impact on higher joints, providing valuable guidance for surgical correction. There have been very few studies evaluating the long-term functional outcome after treatment during childhood. According to two studies presented at this symposium (Brussels, Lausanne), results have been generally good but with subnormal radiographs irrespective of the type of treatment or how early treatment started in childhood. Hypoplasia of the talar dome is a constant finding and is correlated with limitation of dorsal flexion of the ankle joint. A small degree under-correction is often observed but well tolerated while overcorrection is generally less well tolerated. Functional outcome depends highly on preservation of subtalar joint motion. There have been no reports on the results of treatment of sequelae in adults. Most problems (pain, stiffness, osteoarthritis) are observed in the mid or rear foot. Indications for conservative surgery (osteotomy) of the mid or rear foot are rare compared with indications for combined arthrodesis. Talocrural decompensation is a turning point observed in the adult. Management at this point is difficult: fusion of the ankle worsens the situation by increasing the stress on the forefoot and aggravating the disability; implantation of an ankle prosthesis is technically difficult and remains to be fully developed. Treatment of the dorsal bunion of the great toe may require tendon transfer and/or fusion. A child born with clubfoot will never have a normal foot in adulthood. Sequelae present at the end of growth will intensify during adult life; under-correction is easier to treat in adulthood than overcorrection. The most difficult problems in adulthood are: neglected clubfoot, over correction, and degradation of the talocrural joint.

Functional and prognostic effects when emphysema complicates idiopathic pulmonary fibrosis.

PubMed

Jacob, Joseph; Bartholmai, Brian J; Rajagopalan, Srinivasan; Kokosi, Maria; Maher, Toby M; Nair, Arjun; Karwoski, Ronald; Renzoni, Elisabetta; Walsh, Simon L F; Hansell, David M; Wells, Athol U

2017-07-01

This study aimed to investigate whether the combination of fibrosis and emphysema has a greater effect than the sum of its parts on functional indices and outcome in idiopathic pulmonary fibrosis (IPF), using visual and computer-based (CALIPER) computed tomography (CT) analysis.Consecutive patients (n=272) with a multidisciplinary IPF diagnosis had the extent of interstitial lung disease (ILD) scored visually and by CALIPER. Visually scored emphysema was subcategorised as isolated or mixed with fibrotic lung. The CT scores were evaluated against functional indices forced vital capacity (FVC), diffusing capacity of the lungs for carbon monoxide ( D LCO ), transfer coefficient of the lung for carbon monoxide ( K CO ), composite physiologic index (CPI)) and mortality.The presence and extent of emphysema had no impact on survival. Results were maintained following correction for age, gender, smoking status and baseline severity using D LCO , and combined visual emphysema and ILD extent. Visual emphysema quantitation indicated that relative preservation of lung volumes (FVC) resulted from tractionally dilated airways within fibrotic lung, ventilating areas of admixed emphysema (p<0.0001), with no independent effect on FVC from isolated emphysema. Conversely, only isolated emphysema (p<0.0001) reduced gas transfer ( D LCO ).There is no prognostic impact of emphysema in IPF, beyond that explained by the additive extents of both fibrosis and emphysema. With respect to the location of pulmonary fibrosis, emphysema distribution determines the functional effects of emphysema. Copyright ©ERS 2017.

Temporal modulation transfer functions in cochlear implantees using a method that limits overall loudness cues

PubMed Central

Fraser, Matthew; McKay, Colette M.

2012-01-01

Temporal modulation transfer functions (TMTFs) were measured for six users of cochlear implants, using different carrier rates and levels. Unlike most previous studies investigating modulation detection, the experimental design limited potential effects of overall loudness cues. Psychometric functions (percent correct discrimination of modulated from unmodulated stimuli versus modulation depth) were obtained. For each modulation depth, each modulated stimulus was loudness balanced to the unmodulated reference stimulus, and level jitter was applied in the discrimination task. The loudness-balance data showed that the modulated stimuli were louder than the unmodulated reference stimuli with the same average current, thus confirming the need to limit loudness cues when measuring modulation detection. TMTFs measured in this way had a low-pass characteristic, with a cut-off frequency (at comfortably loud levels) similar to that for normal-hearing listeners. A reduction in level caused degradation in modulation detection efficiency and a lower-cut-off frequency (i.e. poorer temporal resolution). An increase in carrier rate also led to a degradation in modulation detection efficiency, but only at lower levels or higher modulation frequencies. When detection thresholds were expressed as a proportion of dynamic range, there was no effect of carrier rate for the lowest modulation frequency (50 Hz) at either level. PMID:22146425

Semi-empirical and phenomenological instrument functions for the scanning tunneling microscope

NASA Astrophysics Data System (ADS)

Feuchtwang, T. E.; Cutler, P. H.; Notea, A.

1988-08-01

Recent progress in the development of a convenient algorithm for the determination of a quantitative local density of states (LDOS) of the sample, from data measured in the STM, is reviewd. It is argued that the sample LDOS strikes a good balance between the information content of a surface characteristic and effort required to obtain it experimentally. Hence, procedures to determine the sample LDOS as directly and as tip-model independently as possible are emphasized. The solution of the STM's "inverse" problem in terms of novel versions of the instrument (or Green) function technique is considered in preference to the well known, more direct solutions. Two types of instrument functions are considered: Approximations of the basic tip-instrument function obtained from the transfer Hamiltonian theory of the STM-STS. And, phenomenological instrument functions devised as a systematic scheme for semi-empirical first order corrections of "ideal" models. The instrument function, in this case, describes the corrections as the response of an independent component of the measuring apparatus inserted between the "ideal" instrument and the measured data. This linear response theory of measurement is reviewed and applied. A procedure for the estimation of the consistency of the model and the systematic errors due to the use of an approximate instrument function is presented. The independence of the instrument function techniques from explicit microscopic models of the tip is noted. The need for semi-empirical, as opposed to strictly empirical or analytical determination of the instrument function is discussed. The extension of the theory to the scanning tunneling spectrometer is noted, as well as its use in a theory of resolution.

Nerve Transfer Surgery for Penetrating Upper Extremity Injuries

PubMed Central

Karamanos, Efstathios; Rakitin, Ilya; Dream, Sophie; Siddiqui, Aamir

2018-01-01

Context Nerve transfer surgery is an option for repair of penetrating injuries of the upper extremity. In the right setting, it has advantages over tendon transfers and nerve grafting. Objective To review our experience since 2006 of nerve transfer surgery in the upper extremities. Design We included cases performed to repair penetrating trauma within three months of injury with at least three years’ follow-up. Main Outcome Measures Preoperative and postoperative muscle strength of the affected extremity. Results All 16 patients were males aged 16 to 43 years. Six patients underwent nerve transfer surgery because of elbow flexion; 5, finger extension; 3, finger flexion; and 2, wrist pronation. Nine patients (56%) had associated vascular injury, and 4 (25%) had fractures. Average follow-up was 6 years. No perioperative complications occurred. Patients had a mean of 3.7 operations after the initial trauma. All patients received physical therapy. All patients improved from 0 of 5 muscle strength preoperatively to a mean of 3.8 (range = 2/5 to 5/5) within 1 year after surgery. In all cases, strength was maintained, and 8 (50%) had continued improvement after Year 1. Ten (63%) returned to their previous employment level. Mean Disabilities of the Arm, Shoulder and Hand score improved from 68 to 83 postoperatively. Conclusion Nerve transfer is a safe, effective technique for correcting penetrating trauma-related nerve injury. In appropriate patients it offers advantages over other techniques. Outcomes can be maintained long term, and many patients can return to their previous level of function. PMID:29702048

Life-threatening hypokalemia following rapid correction of respiratory acidosis.

PubMed

Hammond, Kendra; You, David; Collins, Eileen G; Leehey, David J; Laghi, Franco

2013-01-01

A 56-year-old woman with a history of paraplegia and chronic pain due to neuromyelitis optica (Devic's syndrome) was admitted to a spinal cord injury unit for management of a sacral decubitus ulcer. During the hospitalization, she required emergency transfer to the intensive care unit (ICU) because of progressive deterioration of respiratory muscle function, severe respiratory acidosis, obtundation and hypotension. Upon transfer to the ICU, arterial blood gas revealed severe acute-on-chronic respiratory acidosis (pH 7.00, PCO2 120 mm Hg, PO2 211 mm Hg). The patient was immediately intubated and mechanically ventilated. Intravenous fluid boluses of normal saline (10.5 L in about 24 h) and vasopressors were started with rapid correction of hypotension. In addition, she was given hydrocortisone. Within 40 min of initiation of mechanical ventilation, there was improvement in acute respiratory acidosis. Sixteen hours later, however, the patient developed life-threatening hypokalemia (K(+) of 2.1 mEq/L) and hypomagnesemia (Mg of 1.4 mg/dL). Despite aggressive potassium supplementation, hypokalemia continued to worsen over the next several hours (K(+) of 1.7 mEq/L). Urine studies revealed renal potassium wasting. We reason that the recalcitrant life-threatening hypokalemia was caused by several mechanisms including total body potassium depletion (chronic respiratory acidosis), a shift of potassium from the extracellular to intracellular space (rapid correction of respiratory acidosis with mechanical ventilation), increased sodium delivery to the distal nephron (normal saline resuscitation), hyperaldosteronism (secondary to hypotension plus administration of hydrocortisone) and hypomagnesemia. We conclude that rapid correction of respiratory acidosis, especially in the setting of hypotension, can lead to life-threatening hypokalemia. Serum potassium levels must be monitored closely in these patients, as failure to do so can lead to potentially lethal consequences. Copyright © 2013 Elsevier Inc. All rights reserved.

76 FR 51878 - Modifications of Certain Derivative Contracts; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-19

... Modifications of Certain Derivative Contracts; Correction AGENCY: Internal Revenue Service (IRS), Treasury... temporary regulations (TD 9538) that address when a transfer or assignment of certain derivative contracts... read as follows: Sec. 1.1001-4T Modifications of certain derivative contracts (temporary). * * * * * (a...

Technique of Dynamic Flexor Digitorum Superficialis Transfer to Lateral Bands for Proximal Interphalangeal Joint Deformity Correction in Severe Dupuytren Disease.

PubMed

Schreck, Michael J; Holbrook, Hayden S; Koman, L Andrew

2018-02-01

Pseudo-boutonniere deformity is an uncommon complication from long-standing proximal interphalangeal (PIP) joint contracture in Dupuytren disease. Prolonged flexion contracture of the PIP joint can lead to central slip attenuation and resultant imbalances in the extensor mechanism. We present a technique of flexor digitorum superficialis (FDS) tendon transfer to the lateral bands to correct pseudo-boutonniere deformity at the time of palmar fasciectomy for the treatment of Dupuytren disease. The FDS tendon is transferred from volar to dorsal through the lumbrical canal and sutured into the dorsally mobilized lateral bands. This technique presents an approach to the repair of pseudo-boutonniere deformity in Dupuytren disease. Copyright © 2018 American Society for Surgery of the Hand. Published by Elsevier Inc. All rights reserved.

An evaluation of gas transfer velocity parameterizations during natural convection using DNS

NASA Astrophysics Data System (ADS)

Fredriksson, Sam T.; Arneborg, Lars; Nilsson, Hâkan; Zhang, Qi; Handler, Robert A.

2016-02-01

Direct numerical simulations (DNS) of free surface flows driven by natural convection are used to evaluate different methods of estimating air-water gas exchange at no-wind conditions. These methods estimate the transfer velocity as a function of either the horizontal flow divergence at the surface, the turbulent kinetic energy dissipation beneath the surface, the heat flux through the surface, or the wind speed above the surface. The gas transfer is modeled via a passive scalar. The Schmidt number dependence is studied for Schmidt numbers of 7, 150 and 600. The methods using divergence, dissipation and heat flux estimate the transfer velocity well for a range of varying surface heat flux values, and domain depths. The two evaluated empirical methods using wind (in the limit of no wind) give reasonable estimates of the transfer velocity, depending however on the surface heat flux and surfactant saturation. The transfer velocity is shown to be well represented by the expression, ks=A |Bν|1/4 Sc-n, where A is a constant, B is the buoyancy flux, ν is the kinematic viscosity, Sc is the Schmidt number, and the exponent n depends on the water surface characteristics. The results suggest that A=0.39 and n≈1/2 and n≈2/3 for slip and no-slip boundary conditions at the surface, respectively. It is further shown that slip and no-slip boundary conditions predict the heat transfer velocity corresponding to the limits of clean and highly surfactant contaminated surfaces, respectively. This article was corrected on 22 MAR 2016. See the end of the full text for details.

Color transfer method preserving perceived lightness

NASA Astrophysics Data System (ADS)

Ueda, Chiaki; Azetsu, Tadahiro; Suetake, Noriaki; Uchino, Eiji

2016-06-01

Color transfer originally proposed by Reinhard et al. is a method to change the color appearance of an input image by using the color information of a reference image. The purpose of this study is to modify color transfer so that it works well even when the scenes of the input and reference images are not similar. Concretely, a color transfer method with lightness correction and color gamut adjustment is proposed. The lightness correction is applied to preserve the perceived lightness which is explained by the Helmholtz-Kohlrausch (H-K) effect. This effect is the phenomenon that vivid colors are perceived as brighter than dull colors with the same lightness. Hence, when the chroma is changed by image processing, the perceived lightness is also changed even if the physical lightness is preserved after the image processing. In the proposed method, by considering the H-K effect, color transfer that preserves the perceived lightness after processing is realized. Furthermore, color gamut adjustment is introduced to address the color gamut problem, which is caused by color space conversion. The effectiveness of the proposed method is verified by performing some experiments.

Modelling mass transfer during venting/soil vapour extraction: Non-aqueous phase liquid/gas mass transfer coefficient estimation

NASA Astrophysics Data System (ADS)

Esrael, D.; Kacem, M.; Benadda, B.

2017-07-01

We investigate how the simulation of the venting/soil vapour extraction (SVE) process is affected by the mass transfer coefficient, using a model comprising five partial differential equations describing gas flow and mass conservation of phases and including an expression accounting for soil saturation conditions. In doing so, we test five previously reported quations for estimating the non-aqueous phase liquid (NAPL)/gas initial mass transfer coefficient and evaluate an expression that uses a reference NAPL saturation. Four venting/SVE experiments utilizing a sand column are performed with dry and non-saturated sand at low and high flow rates, and the obtained experimental results are subsequently simulated, revealing that hydrodynamic dispersion cannot be neglected in the estimation of the mass transfer coefficient, particularly in the case of low velocities. Among the tested models, only the analytical solution of a convection-dispersion equation and the equation proposed herein are suitable for correctly modelling the experimental results, with the developed model representing the best choice for correctly simulating the experimental results and the tailing part of the extracted gas concentration curve.

Intercalibration between HIRS/2 and HIRS/3 channel 12 based on physical considerations

NASA Astrophysics Data System (ADS)

Gierens, Klaus; Eleftheratos, Kostas; Sausen, Robert

2018-02-01

High-resolution Infrared Radiation Sounder (HIRS) brightness temperatures at channel 12 (T12) can be used to assess the water vapour content of the upper troposphere. The transition from HIRS/2 to HIRS/3 in 1999 involved a shift in the central wavelength of channel 12 from 6.7 to 6.5 µm, causing a discontinuity in the time series of T12. To understand the impact of this change in the measured brightness temperatures, we have performed radiative transfer calculations for channel 12 of HIRS/2 and HIRS/3 instruments, using a large set of radiosonde profiles of temperature and relative humidity from three different sites. Other possible changes within the instrument, apart from the changed spectral response function, have been assumed to be of minor importance, and in fact, it was necessary to assume as a working hypothesis that the spectral and radiometric calibration of the two instruments did not change during the relatively short period of their common operation. For each radiosonde profile we performed two radiative transfer calculations, one using the HIRS/2 channel response function of NOAA 14 and one using the HIRS/3 channel response function of NOAA 15, resulting in negative differences of T12 (denoted as ΔT12 := T12/15 - T12/14) ranging between -12 and -2 K. Inspection of individual profiles for large, medium and small values of ΔT12 pointed to the role of the mid-tropospheric humidity. This guided us to investigate the relation between ΔT12 and the channel 11 brightness temperatures which are typically used to detect signals from the mid-troposphere. This allowed us to construct a correction for the HIRS/3 T12, which leads to a pseudo-channel 12 brightness temperature as if a HIRS/2 instrument had measured it. By applying this correction we find an excellent agreement between the original HIRS/2 T12 and the HIRS/3 data inferred from the correction method with R = 0.986. Upper-tropospheric humidity (UTH) derived from the pseudo HIRS/2 T12 data compared well with that calculated from intersatellite-calibrated data, providing independent justification for using the two intercalibrated time series (HIRS/2 and HIRS/3) as a continuous HIRS time series for long-term UTH analyses.

Measurement of the Neutron F2 Structure Function via Spectator Tagging with CLAS

NASA Astrophysics Data System (ADS)

Baillie, N.; Tkachenko, S.; Zhang, J.; Bosted, P.; Bültmann, S.; Christy, M. E.; Fenker, H.; Griffioen, K. A.; Keppel, C. E.; Kuhn, S. E.; Melnitchouk, W.; Tvaskis, V.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anghinolfi, M.; Arrington, J.; Avakian, H.; Baghdasaryan, H.; Battaglieri, M.; Biselli, A. S.; Branford, D.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Daniel, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Dey, B.; Djalali, C.; Dodge, G.; Domingo, J.; Doughty, D.; Dupre, R.; Dutta, D.; Ent, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Fradi, A.; Gabrielyan, M. Y.; Gevorgyan, N.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Graham, L.; Guegan, B.; Guidal, M.; Guler, N.; Guo, L.; Hafidi, K.; Heddle, D.; Hicks, K.; Holtrop, M.; Hungerford, E.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ispiryan, M.; Isupov, E. L.; Jawalkar, S. S.; Jo, H. S.; Kalantarians, N.; Khandaker, M.; Khetarpal, P.; Kim, A.; Kim, W.; King, P. M.; Klein, A.; Klein, F. J.; Klimenko, A.; Kubarovsky, V.; Kuleshov, S. V.; Kvaltine, N. D.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mao, Y.; Markov, N.; McKinnon, B.; Mineeva, T.; Morrison, B.; Moutarde, H.; Munevar, E.; Nadel-Turonski, P.; Ni, A.; Niccolai, S.; Niculescu, I.; Niculescu, G.; Osipenko, M.; Ostrovidov, A. I.; Pappalardo, L.; Park, K.; Park, S.; Pasyuk, E.; Anefalos Pereira, S.; Pisano, S.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Raue, B. A.; Ricco, G.; Rimal, D.; Ripani, M.; Rosner, G.; Rossi, P.; Sabatié, F.; Saini, M. S.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Sharabian, Y. G.; Sober, D. I.; Sokhan, D.; Stepanyan, S.; Stepanyan, S. S.; Stoler, P.; Strauch, S.; Taiuti, M.; Tang, W.; Ungaro, M.; Vineyard, M. F.; Voutier, E.; Watts, D. P.; Weinstein, L. B.; Weygand, D. P.; Wood, M. H.; Zana, L.; Zhao, B.

2012-04-01

We report on the first measurement of the F2 structure function of the neutron from the semi-inclusive scattering of electrons from deuterium, with low-momentum protons detected in the backward hemisphere. Restricting the momentum of the spectator protons to ≲100MeV/c and their angles to ≳100° relative to the momentum transfer allows an interpretation of the process in terms of scattering from nearly on-shell neutrons. The F2n data collected cover the nucleon-resonance and deep-inelastic regions over a wide range of Bjorken x for 0.65

Measurement of the neutron F 2 structure function via spectator tagging with CLAS

DOE PAGES

Baillie, N.; Tkachenko, S.; Zhang, J.; ...

2012-04-01

We report on the first measurement of the F 2 structure function of the neutron from semi-inclusive scattering of electrons from deuterium, with low-momentum protons detected in the backward hemisphere. Restricting the momentum of the spectator protons to ≈< 100 MeV and their angles to ≈> 100 degrees relative to the momentum transfer allows an interpretation of the process in terms of scattering from nearly on-shell neutrons. The F 2 n data collected cover the nucleon resonance and deep-inelastic regions over a wide range of x for 0.65 < Q 2 < 4.52 GeV 2, with uncertainties from nuclear correctionsmore » estimated to be less than a few percent. These measurements provide the first determination of the neutron to proton structure function ratio F 2 n/F 2 p at 0.2 ≈< x ≈< 0.8, essentially free of nuclear corrections.« less

Relationships between the decoupled and coupled transfer functions: Theoretical studies and experimental validation

NASA Astrophysics Data System (ADS)

Wang, Zengwei; Zhu, Ping; Liu, Zhao

2018-01-01

A generalized method for predicting the decoupled transfer functions based on in-situ transfer functions is proposed. The method allows predicting the decoupled transfer functions using coupled transfer functions, without disassembling the system. Two ways to derive relationships between the decoupled and coupled transfer functions are presented. Issues related to immeasurability of coupled transfer functions are also discussed. The proposed method is validated by numerical and experimental case studies.

Large Ice Crystal Charge Transfer Studies

DTIC Science & Technology

1988-10-28

electrification. However, the extra- polation using qcd 4 was completely unjustified. With corrected values of the separation probability of ice crystals...contact to leak away from the local area or become trapped in the crystal lattice . Obviously, larger initial charge transfers, with larger 6 crystals

Multi-level adaptive finite element methods. 1: Variation problems

NASA Technical Reports Server (NTRS)

Brandt, A.

1979-01-01

A general numerical strategy for solving partial differential equations and other functional problems by cycling between coarser and finer levels of discretization is described. Optimal discretization schemes are provided together with very fast general solvers. It is described in terms of finite element discretizations of general nonlinear minimization problems. The basic processes (relaxation sweeps, fine-grid-to-coarse-grid transfers of residuals, coarse-to-fine interpolations of corrections) are directly and naturally determined by the objective functional and the sequence of approximation spaces. The natural processes, however, are not always optimal. Concrete examples are given and some new techniques are reviewed. Including the local truncation extrapolation and a multilevel procedure for inexpensively solving chains of many boundary value problems, such as those arising in the solution of time-dependent problems.

An automatic optimum kernel-size selection technique for edge enhancement

USGS Publications Warehouse

Chavez, Pat S.; Bauer, Brian P.

1982-01-01

Edge enhancement is a technique that can be considered, to a first order, a correction for the modulation transfer function of an imaging system. Digital imaging systems sample a continuous function at discrete intervals so that high-frequency information cannot be recorded at the same precision as lower frequency data. Because of this, fine detail or edge information in digital images is lost. Spatial filtering techniques can be used to enhance the fine detail information that does exist in the digital image, but the filter size is dependent on the type of area being processed. A technique has been developed by the authors that uses the horizontal first difference to automatically select the optimum kernel-size that should be used to enhance the edges that are contained in the image. 

Evaluation of factors affecting accurate measurements of atmospheric CO2 and CH4 by wavelength-scanned cavity ring-down spectroscopy

NASA Astrophysics Data System (ADS)

Nara, H.; Tanimoto, H.; Tohjima, Y.; Mukai, H.; Nojiri, Y.; Katsumata, K.; Rella, C.

2012-07-01

We examined potential interferences from water vapor and atmospheric background gases (N2, O2, and Ar), and biases by isotopologues of target species, on accurate measurement of atmospheric CO2 and CH4 by means of wavelength-scanned cavity ring-down spectroscopy (WS-CRDS). Variations in the composition of the background gas substantially impacted the CO2 and CH4 measurements: the measured amounts of CO2 and CH4 decreased with increasing N2 mole fraction, but increased with increasing O2 and Ar, suggesting that the pressure-broadening effects (PBEs) increased as Ar < O2 < N2. Using these experimental results, we inferred PBEs for the measurement of synthetic standard gases. The PBEs were negligible (up to 0.05 ppm for CO2 and 0.01 ppb for CH4) for gas standards balanced with purified air, although the PBEs were substantial (up to 0.87 ppm for CO2 and 1.4 ppb for CH4) for standards balanced with synthetic air. For isotopic biases on CO2 measurements, we compared experimental results and theoretical calculations, which showed excellent agreement within their uncertainty. We derived empirical correction functions for water vapor for three WS-CRDS instruments (Picarro EnviroSense 3000i, G-1301, and G-2301). Although the transferability of the functions was not clear, no significant difference was found in the water vapor correction values among these instruments within the typical analytical precision at sufficiently low water concentrations (< 0.3%V for CO2 and < 0.4%V for CH4). For accurate measurements of CO2 and CH4 in ambient air, we concluded that WS-CRDS measurements should be performed under complete dehumidification of air samples, or moderate dehumidification followed by application of a water vapor correction function, along with calibration by natural air-based standard gases or purified air-balanced synthetic standard gases with isotopic correction.

Publisher's Note: Proton elastic form factor ratios to Q2=3.5GeV2 by polarization transfer [Phys. Rev. C 71, 055202 (2005)

NASA Astrophysics Data System (ADS)

Punjabi, V.; Perdrisat, C. F.; Aniol, K. A.; Baker, F. T.; Berthot, J.; Bertin, P. Y.; Bertozzi, W.; Besson, A.; Bimbot, L.; Boeglin, W. U.; Brash, E. J.; Brown, D.; Calarco, J. R.; Cardman, L. S.; Chai, Z.; Chang, C.-C.; Chen, J.-P.; Chudakov, E.; Churchwell, S.; Cisbani, E.; Dale, D. S.; Leo, R. De; Deur, A.; Diederich, B.; Domingo, J. J.; Epstein, M. B.; Ewell, L. A.; Fissum, K. G.; Fleck, A.; Fonvieille, H.; Frullani, S.; Gao, J.; Garibaldi, F.; Gasparian, A.; Gerstner, G.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Gorbenko, V.; Green, A.; Hansen, J.-O.; Howell, C. R.; Huber, G. M.; Iodice, M.; Jager, C. W.; Jaminion, S.; Jiang, X.; Jones, M. K.; Kahl, W.; Kelly, J. J.; Khayat, M.; Kramer, L. H.; Kumbartzki, G.; Kuss, M.; Lakuriki, E.; Laveissière, G.; Lerose, J. J.; Liang, M.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Macri, R.; Madey, R.; Malov, S.; Margaziotis, D. J.; Markowitz, P.; McCormick, K.; McIntyre, J. I.; Meer, R. L.; Michaels, R.; Milbrath, B. D.; Mougey, J. Y.; Nanda, S. K.; Offermann, E. A.; Papandreou, Z.; Pentchev, L.; Petratos, G. G.; Piskunov, N. M.; Pomatsalyuk, R. I.; Prout, D. L.; Quéméner, G.; Ransome, R. D.; Raue, B. A.; Roblin, Y.; Roche, R.; Rutledge, G.; Rutt, P. M.; Saha, A.; Saito, T.; Sarty, A. J.; Smith, T. P.; Sorokin, P.; Strauch, S.; Suleiman, R.; Takahashi, K.; Templon, J. A.; Todor, L.; Ulmer, P. E.; Urciuoli, G. M.; Vernin, P.; Vlahovic, B.; Voskanyan, H.; Wijesooriya, K.; Wojtsekhowski, B. B.; Woo, R. J.; Xiong, F.; Zainea, G. D.; Zhou, Z.-L.

2005-06-01

This paper was published online on 20 May 2005 without several of the authors’ corrections incorporated. Equation (13) has been replaced. The captions of Figs. 16 18 have also been replaced. Typographical errors on pages 4, 6, 14, 15, 18, 19, 22, and 24 have all been corrected. The paper has been corrected as of 8 June 2005. The text is correct in the printed version of the journal.

Publisher's Note: Proton elastic form factor ratios to Q{sup 2}=3.5 GeV{sup 2} by polarization transfer [Phys. Rev. C 71, 055202 (2005)

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

Punjabi, V.; Perdrisat, C.F.; Aniol, K.A.

2005-06-01

This paper was published online on 20 May 2005 without several of the authors' corrections incorporated. Equation (13) has been replaced. The captions of Figs. 16-18 have also been replaced. Typographical errors on pages 4, 6, 14, 15, 18, 19, 22, and 24 have all been corrected. The paper has been corrected as of 8 June 2005. The text is correct in the printed version of the journal.

DAC-board based X-band EPR spectrometer with arbitrary waveform control

NASA Astrophysics Data System (ADS)

Kaufmann, Thomas; Keller, Timothy J.; Franck, John M.; Barnes, Ryan P.; Glaser, Steffen J.; Martinis, John M.; Han, Songi

2013-10-01

We present arbitrary control over a homogenous spin system, demonstrated on a simple, home-built, electron paramagnetic resonance (EPR) spectrometer operating at 8-10 GHz (X-band) and controlled by a 1 GHz arbitrary waveform generator (AWG) with 42 dB (i.e. 14-bit) of dynamic range. Such a spectrometer can be relatively easily built from a single DAC (digital to analog converter) board with a modest number of stock components and offers powerful capabilities for automated digital calibration and correction routines that allow it to generate shaped X-band pulses with precise amplitude and phase control. It can precisely tailor the excitation profiles "seen" by the spins in the microwave resonator, based on feedback calibration with experimental input. We demonstrate the capability to generate a variety of pulse shapes, including rectangular, triangular, Gaussian, sinc, and adiabatic rapid passage waveforms. We then show how one can precisely compensate for the distortion and broadening caused by transmission into the microwave cavity in order to optimize corrected waveforms that are distinctly different from the initial, uncorrected waveforms. Specifically, we exploit a narrow EPR signal whose width is finer than the features of any distortions in order to map out the response to a short pulse, which, in turn, yields the precise transfer function of the spectrometer system. This transfer function is found to be consistent for all pulse shapes in the linear response regime. In addition to allowing precise waveform shaping capabilities, the spectrometer presented here offers complete digital control and calibration of the spectrometer that allows one to phase cycle the pulse phase with 0.007° resolution and to specify the inter-pulse delays and pulse durations to ⩽250 ps resolution. The implications and potential applications of these capabilities will be discussed.

TIME-DEPENDENT MULTI-GROUP MULTI-DIMENSIONAL RELATIVISTIC RADIATIVE TRANSFER CODE BASED ON SPHERICAL HARMONIC DISCRETE ORDINATE METHOD

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

Tominaga, Nozomu; Shibata, Sanshiro; Blinnikov, Sergei I., E-mail: tominaga@konan-u.ac.jp, E-mail: sshibata@post.kek.jp, E-mail: Sergei.Blinnikov@itep.ru

We develop a time-dependent, multi-group, multi-dimensional relativistic radiative transfer code, which is required to numerically investigate radiation from relativistic fluids that are involved in, e.g., gamma-ray bursts and active galactic nuclei. The code is based on the spherical harmonic discrete ordinate method (SHDOM) which evaluates a source function including anisotropic scattering in spherical harmonics and implicitly solves the static radiative transfer equation with ray tracing in discrete ordinates. We implement treatments of time dependence, multi-frequency bins, Lorentz transformation, and elastic Thomson and inelastic Compton scattering to the publicly available SHDOM code. Our code adopts a mixed-frame approach; the source functionmore » is evaluated in the comoving frame, whereas the radiative transfer equation is solved in the laboratory frame. This implementation is validated using various test problems and comparisons with the results from a relativistic Monte Carlo code. These validations confirm that the code correctly calculates the intensity and its evolution in the computational domain. The code enables us to obtain an Eddington tensor that relates the first and third moments of intensity (energy density and radiation pressure) and is frequently used as a closure relation in radiation hydrodynamics calculations.« less

Analytical Approach to the Fuel Optimal Impulsive Transfer Problem Using Primer Vector Method

NASA Astrophysics Data System (ADS)

Fitrianingsih, E.; Armellin, R.

2018-04-01

One of the objectives of mission design is selecting an optimum orbital transfer which often translated as a transfer which requires minimum propellant consumption. In order to assure the selected trajectory meets the requirement, the optimality of transfer should first be analyzed either by directly calculating the ΔV of the candidate trajectories and select the one that gives a minimum value or by evaluating the trajectory according to certain criteria of optimality. The second method is performed by analyzing the profile of the modulus of the thrust direction vector which is known as primer vector. Both methods come with their own advantages and disadvantages. However, it is possible to use the primer vector method to verify if the result from the direct method is truly optimal or if the ΔV can be reduced further by implementing correction maneuver to the reference trajectory. In addition to its capability to evaluate the transfer optimality without the need to calculate the transfer ΔV, primer vector also enables us to identify the time and position to apply correction maneuver in order to optimize a non-optimum transfer. This paper will present the analytical approach to the fuel optimal impulsive transfer using primer vector method. The validity of the method is confirmed by comparing the result to those from the numerical method. The investigation of the optimality of direct transfer is used to give an example of the application of the method. The case under study is the prograde elliptic transfers from Earth to Mars. The study enables us to identify the optimality of all the possible transfers.

Reconstructive correction of aberrations in nuclear particle spectrographs

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

Berz, M.; Joh, K.; Nolen, J.A.

A method is presented that allows the reconstruction of trajectories in particle spectrographs and the reconstructive correction of residual aberrations that otherwise limit the resolution. Using a computed or fitted high order transfer map that describes the uncorrected aberrations of the spectrograph, it is possible to calculate a map via an analytic recursion relation that allows the computation of the corrected data of interest such as reaction energy and scattering angle as well as the reconstructed trajectories in terms of position measurements in two planes near the focal plane. The technique is only limited by the accuracy of the positionmore » measurements, the incoherent spot sizes, and the accuracy of the transfer map. In practice the method can be expressed as an inversion of a nonlinear map and implemented in the differential algebraic framework. The method is applied to correct residual aberrations in the S800 spectrograph which is under construction at the National Superconducting Cyclotron Laboratory at Michigan State University and to two other high resolution spectrographs.« less

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

DOE PAGES

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.; ...

2017-06-27

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.

PubMed

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J; Gagliardi, Laura; Smit, Berend

2017-07-20

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper-CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2 (formate) 4 . We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2 , even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller-Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

PubMed Central

2017-01-01

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate)2 and dicopper Cu2(formate)4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO2, even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems. PMID:28751926

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

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

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Radiative-Transfer Modeling of Spectra of Densely Packed Particulate Media

NASA Astrophysics Data System (ADS)

Ito, G.; Mishchenko, M. I.; Glotch, T. D.

2017-12-01

Remote sensing measurements over a wide range of wavelengths from both ground- and space-based platforms have provided a wealth of data regarding the surfaces and atmospheres of various solar system bodies. With proper interpretations, important properties, such as composition and particle size, can be inferred. However, proper interpretation of such datasets can often be difficult, especially for densely packed particulate media with particle sizes on the order of wavelength of light being used for remote sensing. Radiative transfer theory has often been applied to the study of densely packed particulate media like planetary regoliths and snow, but with difficulty, and here we continue to investigate radiative transfer modeling of spectra of densely packed media. We use the superposition T-matrix method to compute scattering properties of clusters of particles and capture the near-field effects important for dense packing. Then, the scattering parameters from the T-matrix computations are modified with the static structure factor correction, accounting for the dense packing of the clusters themselves. Using these corrected scattering parameters, reflectance (or emissivity via Kirchhoff's Law) is computed with the method of invariance imbedding solution to the radiative transfer equation. For this work we modeled the emissivity spectrum of the 3.3 µm particle size fraction of enstatite, representing some common mineralogical and particle size components of regoliths, in the mid-infrared wavelengths (5 - 50 µm). The modeled spectrum from the T-matrix method with static structure factor correction using moderate packing densities (filling factors of 0.1 - 0.2) produced better fits to the laboratory measurement of corresponding spectrum than the spectrum modeled by the equivalent method without static structure factor correction. Future work will test the method of the superposition T-matrix and static structure factor correction combination for larger particles sizes and polydispersed clusters in search for the most effective modeling of spectra of densely packed particulate media.

Quantitative Analysis of First-Pass Contrast-Enhanced Myocardial Perfusion Multidetector CT Using a Patlak Plot Method and Extraction Fraction Correction During Adenosine Stress

NASA Astrophysics Data System (ADS)

Ichihara, Takashi; George, Richard T.; Silva, Caterina; Lima, Joao A. C.; Lardo, Albert C.

2011-02-01

The purpose of this study was to develop a quantitative method for myocardial blood flow (MBF) measurement that can be used to derive accurate myocardial perfusion measurements from dynamic multidetector computed tomography (MDCT) images by using a compartment model for calculating the first-order transfer constant (K1) with correction for the capillary transit extraction fraction (E). Six canine models of left anterior descending (LAD) artery stenosis were prepared and underwent first-pass contrast-enhanced MDCT perfusion imaging during adenosine infusion (0.14-0.21 mg/kg/min). K1 , which is the first-order transfer constant from left ventricular (LV) blood to myocardium, was measured using the Patlak plot method applied to time-attenuation curve data of the LV blood pool and myocardium. The results were compared against microsphere MBF measurements, and the extraction fraction of contrast agent was calculated. K1 is related to the regional MBF as K1=EF, E=(1-exp(-PS/F)), where PS is the permeability-surface area product and F is myocardial flow. Based on the above relationship, a look-up table from K1 to MBF can be generated and Patlak plot-derived K1 values can be converted to the calculated MBF. The calculated MBF and microsphere MBF showed a strong linear association. The extraction fraction in dogs as a function of flow (F) was E=(1-exp(-(0.2532F+0.7871)/F)) . Regional MBF can be measured accurately using the Patlak plot method based on a compartment model and look-up table with extraction fraction correction from K1 to MBF.

Contact lens design with slope-constrained Q-type aspheres for myopia correction

NASA Astrophysics Data System (ADS)

Peng, Wei-Jei; Cheng, Yuan-Chieh; Hsu, Wei-Yao; Yu, Zong-Ru; Ho, Cheng-Fang; Abou-El-Hossein, Khaled

2017-08-01

The design of the rigid contact lens (CL) with slope-constrained Q-type aspheres for myopia correction is presented in this paper. The spherical CL is the most common type for myopia correction, however the spherical aberration (SA) caused from the pupil dilation in dark leads to the degradation of visual acuity which cannot be corrected by spherical surface. The spherical and aspheric CLs are designed respectively based on Liou's schematic eye model, and the criterion is the modulation transfer function (MTF) at the frequency of 100 line pair per mm, which corresponds to the normal vision of one arc-minute. After optimization, the MTF of the aspheric design is superior to that of the spherical design, because the aspheric surface corrects the SA for improving the visual acuity in dark. For avoiding the scratch caused from the contact profilometer, the aspheric surface is designed to match the measurability of the interferometer. The Q-type aspheric surface is employed to constrain the root-mean-square (rms) slope of the departure from a best-fit sphere directly, because the fringe density is limited by the interferometer. The maximum sag departure from a best-fit sphere is also controlled according to the measurability of the aspheric stitching interferometer (ASI). The inflection point is removed during optimization for measurability and appearance. In this study, the aspheric CL is successfully designed with Q-type aspheres for the measurability of the interferometer. It not only corrects the myopia but also eliminates the SA for improving the visual acuity in dark based on the schematic eye model.

Phased Array Excitations For Efficient Near Field Wireless Power Transmission

DTIC Science & Technology

2016-09-01

relating to the improvement of wireless - power transfer (WPT) in the near field. Improvement to power reception in the near field requires that...improvement of wireless - power transfer (WPT) in the near field. Improvement to power reception in the near field requires that excitation correction methods...transverse electromagnetic TM transverse magnetic UAV unmanned aerial vehicles VSWR voltage standing wave ratio WPT wireless power transfer XML

Differential transfer processes in incremental visuomotor adaptation.

PubMed

Seidler, Rachel D

2005-01-01

Visuomotor adaptive processes were examined by testing transfer of adaptation between similar conditions. Participants made manual aiming movements with a joystick to hit targets on a computer screen, with real-time feedback display of their movement. They adapted to three different rotations of the display in a sequential fashion, with a return to baseline display conditions between rotations. Adaptation was better when participants had prior adaptive experiences. When performance was assessed using direction error (calculated at the time of peak velocity) and initial endpoint error (error before any overt corrective actions), transfer was greater when the final rotation reflected an addition of previously experienced rotations (adaptation order 30 degrees rotation, 15 degrees, 45 degrees) than when it was a subtraction of previously experienced conditions (adaptation order 45 degrees rotation, 15 degrees, 30 degrees). Transfer was equal regardless of adaptation order when performance was assessed with final endpoint error (error following any discrete, corrective actions). These results imply the existence of multiple independent processes in visuomotor adaptation.

The use of precise ephemerides, ionospheric data, and corrected antenna coordinates in a long-distance GPS time transfer

NASA Technical Reports Server (NTRS)

Lewandowski, Wlodzimierz W.; Petit, Gerard; Thomas, Claudine; Weiss, Marc A.

1990-01-01

Over intercontinental distances, the accuracy of The Global Positioning System (GPS) time transfers ranges from 10 to 20 ns. The principal error sources are the broadcast ionospheric model, the broadcast ephemerides and the local antenna coordinates. For the first time, the three major error sources for GPS time transfer can be reduced simultaneously for a particular time link. Ionospheric measurement systems of the National Institute of Standards and Technology (NIST) type are now operating on a regular basis at the National Institute of Standards and Technology in Boulder and at the Paris Observatory in Paris. Broadcast ephemerides are currently recorded for time-transfer tracks between these sites, this being necessary for using precise ephemerides. At last, corrected local GPS antenna coordinates are now introduced in GPS receivers at both sites. Shown here is the improvement in precision for this long-distance time comparison resulting from the reduction of these three error sources.

It Pays to Go Off-Track: Practicing with Error-Augmenting Haptic Feedback Facilitates Learning of a Curve-Tracing Task

PubMed Central

Williams, Camille K.; Tremblay, Luc; Carnahan, Heather

2016-01-01

Researchers in the domain of haptic training are now entering the long-standing debate regarding whether or not it is best to learn a skill by experiencing errors. Haptic training paradigms provide fertile ground for exploring how various theories about feedback, errors and physical guidance intersect during motor learning. Our objective was to determine how error minimizing, error augmenting and no haptic feedback while learning a self-paced curve-tracing task impact performance on delayed (1 day) retention and transfer tests, which indicate learning. We assessed performance using movement time and tracing error to calculate a measure of overall performance – the speed accuracy cost function. Our results showed that despite exhibiting the worst performance during skill acquisition, the error augmentation group had significantly better accuracy (but not overall performance) than the error minimization group on delayed retention and transfer tests. The control group’s performance fell between that of the two experimental groups but was not significantly different from either on the delayed retention test. We propose that the nature of the task (requiring online feedback to guide performance) coupled with the error augmentation group’s frequent off-target experience and rich experience of error-correction promoted information processing related to error-detection and error-correction that are essential for motor learning. PMID:28082937

77 FR 20531 - Correction of Authority Citations for Commercial Space Transportation

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-05

...-AI50, 2120-AI57, 2120-AI56, 2120-AI88] Correction of Authority Citations for Commercial Space..., Congress transferred the statute authorizing the FAA's commercial space transportation regulations. This...: Laura Montgomery, Senior Attorney for Commercial Space Transportation, Office of the Chief Counsel...

Phase retrieval with tunable phase transfer function based on the transport of intensity equation

NASA Astrophysics Data System (ADS)

Martinez-Carranza, J.; Stepien, P.; Kozacki, T.

2017-06-01

Recovering phase information with Deterministic approaches as the Transport of Intensity Equation (TIE) has recently emerged as an alternative tool to the interferometric techniques because it is experimentally easy to implement and provides fast and accurate results. Moreover, the potential of employing partially coherent illumination (PCI) in such techniques allow obtaining high quality phase reconstructions providing that the estimation of the corresponding Phase Transfer Function (PTF) is carried out correctly. Hence, accurate estimation of the PTF requires that the physical properties of the optical system are well known. Typically, these parameters are assumed constant in all the set of measurements, which might not be optimal. In this work, we proposed the use of an amplitude Spatial Light Modulator (aSLM) for tuning the degree of coherence of the optical system. The aSLM will be placed at the Fourier plane of the optical system, and then, band pass filters will be displayed. This methodology will perform amplitude modulation of the propagated field and as a result, the state of coherence of the optical system can be modified. Theoretical and experimental results that validate our proposed technique will be shown.

Adsorption and oxidation of oxalic acid on anatase TiO2 (001) surface: A density functional theory study.

PubMed

Sun, Tao; Wang, Yun; Zhang, Haimin; Liu, Porun; Zhao, Huijun

2015-09-15

Anatase TiO2 (001) surfaces have attracted great interest for photo-degradation of organic species recently due to their high reactivity. In this work, adsorption properties and oxidation mechanisms of oxalic acid on the anatase TiO2 (001) surface have been theoretically investigated using the first-principles density functional theory. Various possible adsorption configurations are considered by diversifying the connectivity of carboxylic groups with the surface. It is found that the adsorption of oxalic acid on the anatase (001) surface prefer the dissociative states. A novel double-bidentate configuration has been found due to the structural match between oxalic acid and the (001) surface. More charge is transferred from the adsorbed oxalic acid to the surface with the double-bidentate configuration when comparing with other adsorption structures. Thus, there is a positive correlation relationship between the transferred charge amount and the interfacial bond numbers when oxalic acid adsorbs on the anatase TiO2 (001) surface. The adsorption energies with dispersion corrections have demonstrated that the van der Waals interactions play an important role in the adsorption, especially when adsorbates are close to the surface. Copyright © 2015 Elsevier Inc. All rights reserved.

Optical testbed for the LISA phasemeter

NASA Astrophysics Data System (ADS)

Schwarze, T. S.; Fernández Barranco, G.; Penkert, D.; Gerberding, O.; Heinzel, G.; Danzmann, K.

2016-05-01

The planned spaceborne gravitational wave detector LISA will allow the detection of gravitational waves at frequencies between 0.1 mHz and 1 Hz. A breadboard model for the metrology system aka the phasemeter was developed in the scope of an ESA technology development project by a collaboration between the Albert Einstein Institute, the Technical University of Denmark and the Danish industry partner Axcon Aps. It in particular provides the electronic readout of the main interferometer phases besides auxiliary functions. These include clock noise transfer, ADC pilot tone correction, inter-satellite ranging and data transfer. Besides in LISA, the phasemeter can also be applied in future satellite geodesy missions. Here we show the planning and advances in the implementation of an optical testbed for the full metrology chain. It is based on an ultra-stable hexagonal optical bench. This bench allows the generation of three unequal heterodyne beatnotes with a zero phase combination, thus providing the possibility to probe the phase readout for non-linearities in an optical three signal test. Additionally, the utilization of three independent phasemeters will allow the testing of the auxiliary functions. Once working, components can individually be replaced with flight-qualified hardware in this setup.

Testing the applicability of a benthic foraminiferal-based transfer function for the reconstruction of paleowater depth changes in Rhodes (Greece) during the early Pleistocene.

PubMed

Milker, Yvonne; Weinkauf, Manuel F G; Titschack, Jürgen; Freiwald, Andre; Krüger, Stefan; Jorissen, Frans J; Schmiedl, Gerhard

2017-01-01

We present paleo-water depth reconstructions for the Pefka E section deposited on the island of Rhodes (Greece) during the early Pleistocene. For these reconstructions, a transfer function (TF) using modern benthic foraminifera surface samples from the Adriatic and Western Mediterranean Seas has been developed. The TF model gives an overall predictive accuracy of ~50 m over a water depth range of ~1200 m. Two separate TF models for shallower and deeper water depth ranges indicate a good predictive accuracy of 9 m for shallower water depths (0-200 m) but far less accuracy of 130 m for deeper water depths (200-1200 m) due to uneven sampling along the water depth gradient. To test the robustness of the TF, we randomly selected modern samples to develop random TFs, showing that the model is robust for water depths between 20 and 850 m while greater water depths are underestimated. We applied the TF to the Pefka E fossil data set. The goodness-of-fit statistics showed that most fossil samples have a poor to extremely poor fit to water depth. We interpret this as a consequence of a lack of modern analogues for the fossil samples and removed all samples with extremely poor fit. To test the robustness and significance of the reconstructions, we compared them to reconstructions from an alternative TF model based on the modern analogue technique and applied the randomization TF test. We found our estimates to be robust and significant at the 95% confidence level, but we also observed that our estimates are strongly overprinted by orbital, precession-driven changes in paleo-productivity and corrected our estimates by filtering out the precession-related component. We compared our corrected record to reconstructions based on a modified plankton/benthos (P/B) ratio, excluding infaunal species, and to stable oxygen isotope data from the same section, as well as to paleo-water depth estimates for the Lindos Bay Formation of other sediment sections of Rhodes. These comparisons indicate that our orbital-corrected reconstructions are reasonable and reflect major tectonic movements of Rhodes during the early Pleistocene.

Testing the applicability of a benthic foraminiferal-based transfer function for the reconstruction of paleowater depth changes in Rhodes (Greece) during the early Pleistocene

PubMed Central

Weinkauf, Manuel F. G.; Titschack, Jürgen; Freiwald, Andre; Krüger, Stefan; Jorissen, Frans J.; Schmiedl, Gerhard

2017-01-01

We present paleo-water depth reconstructions for the Pefka E section deposited on the island of Rhodes (Greece) during the early Pleistocene. For these reconstructions, a transfer function (TF) using modern benthic foraminifera surface samples from the Adriatic and Western Mediterranean Seas has been developed. The TF model gives an overall predictive accuracy of ~50 m over a water depth range of ~1200 m. Two separate TF models for shallower and deeper water depth ranges indicate a good predictive accuracy of 9 m for shallower water depths (0–200 m) but far less accuracy of 130 m for deeper water depths (200–1200 m) due to uneven sampling along the water depth gradient. To test the robustness of the TF, we randomly selected modern samples to develop random TFs, showing that the model is robust for water depths between 20 and 850 m while greater water depths are underestimated. We applied the TF to the Pefka E fossil data set. The goodness-of-fit statistics showed that most fossil samples have a poor to extremely poor fit to water depth. We interpret this as a consequence of a lack of modern analogues for the fossil samples and removed all samples with extremely poor fit. To test the robustness and significance of the reconstructions, we compared them to reconstructions from an alternative TF model based on the modern analogue technique and applied the randomization TF test. We found our estimates to be robust and significant at the 95% confidence level, but we also observed that our estimates are strongly overprinted by orbital, precession-driven changes in paleo-productivity and corrected our estimates by filtering out the precession-related component. We compared our corrected record to reconstructions based on a modified plankton/benthos (P/B) ratio, excluding infaunal species, and to stable oxygen isotope data from the same section, as well as to paleo-water depth estimates for the Lindos Bay Formation of other sediment sections of Rhodes. These comparisons indicate that our orbital-corrected reconstructions are reasonable and reflect major tectonic movements of Rhodes during the early Pleistocene. PMID:29166653

A minimal cost function method for optimizing the age-Depth relation of deep-sea sediment cores

NASA Astrophysics Data System (ADS)

Brüggemann, Wolfgang

1992-08-01

The question of an optimal age-depth relation for deep-sea sediment cores has been raised frequently. The data from such cores (e.g., δ18O values) are used to test the astronomical theory of ice ages as established by Milankovitch in 1938. In this work, we use a minimal cost function approach to find simultaneously an optimal age-depth relation and a linear model that optimally links solar insolation or other model input with global ice volume. Thus a general tool for the calibration of deep-sea cores to arbitrary tuning targets is presented. In this inverse modeling type approach, an objective function is minimized that penalizes: (1) the deviation of the data from the theoretical linear model (whose transfer function can be computed analytically for a given age-depth relation) and (2) the violation of a set of plausible assumptions about the model, the data and the obtained correction of a first guess age-depth function. These assumptions have been suggested before but are now quantified and incorporated explicitly into the objective function as penalty terms. We formulate an optimization problem that is solved numerically by conjugate gradient type methods. Using this direct approach, we obtain high coherences in the Milankovitch frequency bands (over 90%). Not only the data time series but also the the derived correction to a first guess linear age-depth function (and therefore the sedimentation rate) itself contains significant energy in a broad frequency band around 100 kyr. The use of a sedimentation rate which varies continuously on ice age time scales results in a shift of energy from 100 kyr in the original data spectrum to 41, 23, and 19 kyr in the spectrum of the corrected data. However, a large proportion of the data variance remains unexplained, particularly in the 100 kyr frequency band, where there is no significant input by orbital forcing. The presented method is applied to a real sediment core and to the SPECMAP stack, and results are compared with those obtained in earlier investigations.

Correction of partial volume effect in (18)F-FDG PET brain studies using coregistered MR volumes: voxel based analysis of tracer uptake in the white matter.

PubMed

Coello, Christopher; Willoch, Frode; Selnes, Per; Gjerstad, Leif; Fladby, Tormod; Skretting, Arne

2013-05-15

A voxel-based algorithm to correct for partial volume effect in PET brain volumes is presented. This method (named LoReAn) is based on MRI based segmentation of anatomical regions and accurate measurements of the effective point spread function of the PET imaging process. The objective is to correct for the spill-out of activity from high-uptake anatomical structures (e.g. grey matter) into low-uptake anatomical structures (e.g. white matter) in order to quantify physiological uptake in the white matter. The new algorithm is presented and validated against the state of the art region-based geometric transfer matrix (GTM) method with synthetic and clinical data. Using synthetic data, both bias and coefficient of variation were improved in the white matter region using LoReAn compared to GTM. An increased number of anatomical regions doesn't affect the bias (<5%) and misregistration affects equally LoReAn and GTM algorithms. The LoReAn algorithm appears to be a simple and promising voxel-based algorithm for studying metabolism in white matter regions. Copyright © 2013 Elsevier Inc. All rights reserved.

Phenotypic correction of Fanconi anemia cells in the murine bone marrow after carrier cell mediated delivery of lentiviral vector.

PubMed

Chakkaramakkil Verghese, Santhosh; Goloviznina, Natalya A; Kurre, Peter

2016-11-19

Fanconi anemia (FA) is an autosomal-recessive disorder associated with hematopoietic failure and it is a candidate for hematopoietic stem cell (HSC)-directed gene therapy. However, the characteristically reduced HSC numbers found in FA patients, their ineffective mobilization from the marrow, and re-oxygenation damage during ex vivo manipulation have precluded clinical success using conventional in vitro approaches. We previously demonstrated that lentiviral vector (LV) particles reversibly attach to the cell surface where they gain protection from serum complement neutralization. We reasoned that cellular delivery of LV to the bone marrow niche could avoid detrimental losses during FA HSC mobilization and in vitro modification. Here, we demonstrate that a VSV-G pseudotyped lentivector, carrying the FANCC transgene, can be transmitted from carrier to bystander cells. In cell culture and transplantation models of FA, we further demonstrate that LV carrier cells migrate along SDF-1α gradients and transfer vector particles that stably integrate and phenotypically correct the characteristic DNA alkylator sensitivity in murine and human FA-deficient target bystander cells. Altogether, we demonstrate that cellular homing mechanisms can be harnessed for the functional phenotype correction in murine FA hematopoietic cells.

Effectiveness of Interaural Delays Alone as Cues During Dynamic Sound Localization

NASA Technical Reports Server (NTRS)

Wenzel, Elizabeth M.; Null, Cynthia H. (Technical Monitor)

1996-01-01

The contribution of interaural time differences (ITDs) to the localization of virtual sound sources with and without head motion was examined. Listeners estimated the apparent azimuth, elevation and distance of virtual sources presented over headphones. Stimuli (3 sec., white noise) were synthesized from minimum-phase representations of nonindividualized head-related transfer functions (HRTFs); binaural magnitude spectra were derived from the minimum phase estimates and ITDs were represented as a pure delay. During dynamic conditions, listeners were encouraged to move their heads; head position was tracked and stimuli were synthesized in real time using a Convolvotron to simulate a stationary external sound source. Two synthesis conditions were tested: (1) both interaural level differences (ILDs) and ITDs correctly correlated with source location and head motion, (2) ITDs correct, no ILDs (flat magnitude spectrum). Head movements reduced azimuth confusions primarily when interaural cues were correctly correlated, although a smaller effect was also seen for ITDs alone. Externalization was generally poor for ITD-only conditions and was enhanced by head motion only for normal HRTFs. Overall the data suggest that, while ITDs alone can provide a significant cue for azimuth, the errors most commonly associated with virtual sources are reduced by location-dependent magnitude cues.

[The Identification of the Origin of Chinese Wolfberry Based on Infrared Spectral Technology and the Artificial Neural Network].

PubMed

Li, Zhong; Liu, Ming-de; Ji, Shou-xiang

2016-03-01

The Fourier Transform Infrared Spectroscopy (FTIR) is established to find the geographic origins of Chinese wolfberry quickly. In the paper, the 45 samples of Chinese wolfberry from different places of Qinghai Province are to be surveyed by FTIR. The original data matrix of FTIR is pretreated with common preprocessing and wavelet transform. Compared with common windows shifting smoothing preprocessing, standard normal variation correction and multiplicative scatter correction, wavelet transform is an effective spectrum data preprocessing method. Before establishing model through the artificial neural networks, the spectra variables are compressed by means of the wavelet transformation so as to enhance the training speed of the artificial neural networks, and at the same time the related parameters of the artificial neural networks model are also discussed in detail. The survey shows even if the infrared spectroscopy data is compressed to 1/8 of its original data, the spectral information and analytical accuracy are not deteriorated. The compressed spectra variables are used for modeling parameters of the backpropagation artificial neural network (BP-ANN) model and the geographic origins of Chinese wolfberry are used for parameters of export. Three layers of neural network model are built to predict the 10 unknown samples by using the MATLAB neural network toolbox design error back propagation network. The number of hidden layer neurons is 5, and the number of output layer neuron is 1. The transfer function of hidden layer is tansig, while the transfer function of output layer is purelin. Network training function is trainl and the learning function of weights and thresholds is learngdm. net. trainParam. epochs=1 000, while net. trainParam. goal = 0.001. The recognition rate of 100% is to be achieved. It can be concluded that the method is quite suitable for the quick discrimination of producing areas of Chinese wolfberry. The infrared spectral analysis technology combined with the artificial neural networks is proved to be a reliable and new method for the identification of the original place of Traditional Chinese Medicine.

Evaluation of the concentration and bioactivity of adenovirus vectors for gene therapy.

PubMed Central

Mittereder, N; March, K L; Trapnell, B C

1996-01-01

Development of adenovirus vectors as potential therapeutic agents for multiple applications of in vivo human gene therapy has resulted in numerous preclinical and clinical studies. However, lack of standardization of the methods for quantifying the physical concentration and functionally active fraction of virions in these studies has often made comparison between various studies difficult or impossible. This study was therefore carried out to define the variables for quantification of the concentration of adenovirus vectors. The methods for evaluation of total virion concentration included electron microscopy and optical absorbance. The methods for evaluation of the concentration of functional virions included detection of gene transfer (transgene transfer and expression) and the plaque assay on 293 cells. Enumeration of total virion concentration by optical absorbance was found to be a precise procedure, but accuracy was dependent on physical disruption of the virion to eliminate artifacts from light scattering and also on a correct value for the extinction coefficient. Both biological assays for enumerating functional virions were highly dependent on the assay conditions and in particular the time of virion adsorption and adsorption volume. Under optimal conditions, the bioactivity of the vector, defined as the fraction of total virions which leads to detected target cell infection, was determined to be 0.10 in the plaque assay and 0.29 in the gene transfer assay. This difference is most likely due to the fact that detection by gene transfer requires only measurement of levels of transgene expression in the infected cell whereas plaque formation is dependent on a series of biological events of much greater complexity. These results show that the exact conditions for determination of infectious virion concentration and bioactivity of recombinant adenovirus vectors are critical and must be standardized for comparability. These observations may be very useful in comparison of data from different preclinical and clinical studies and may also have important implications for how adenovirus vectors can optimally be used in human gene therapy. PMID:8892868

31 CFR 205.24 - How are accurate estimates maintained?

Code of Federal Regulations, 2010 CFR

2010-07-01

... EFFICIENT FEDERAL-STATE FUNDS TRANSFERS Rules Applicable to Federal Assistance Programs Included in a... funding technique provisions in the Treasury-State agreement or take other mutually agreed upon corrective... funds to be transferred under the Federal assistance program or program component to which an estimate...

Objective functional visual outcomes of cataract surgery in patients with good preoperative visual acuity

PubMed Central

Zhu, X; Ye, H; He, W; Yang, J; Dai, J; Lu, Y

2017-01-01

Purpose To explore the objective functional visual outcomes of cataract surgery in patients with good preoperative visual acuity. Methods We enrolled 130 cataract patients whose best-corrected visual acuity (BCVA) was 20/40 or better preoperatively. Objective visual functions were evaluated with a KR-1W analyzer before and at 1 month after cataract surgery. Results The nuclear (N), cortical (C), and N+C groups had very high preoperative ocular and internal total high-order aberrations (HOAs), coma, and abnormal spherical aberrations. At 1 month after cataract surgery, in addition to the remarkable increase of both uncorrected visual acuity and BCVA, both ocular and internal HOAs in the three groups decreased significantly after cataract surgery (all P<0.05). Point spread function and modulation transfer functions were also improved significantly in these patients (all P<0.05). Conclusions The objective functional vision of patients with 20/40 or better preoperative BCVA improved significantly after cataract surgery. This finding shows that the arbitrary threshold of BCVA worse than 20/40 in China cannot always be used to determine who will benefit from cataract surgery. PMID:27858933

Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory.

PubMed

Haiduke, Roberto Luiz A; Bartlett, Rodney J

2018-05-14

Some of the exact conditions provided by the correlated orbital theory are employed to propose new non-empirical parameterizations for exchange-correlation functionals from Density Functional Theory (DFT). This reparameterization process is based on range-separated functionals with 100% exact exchange for long-range interelectronic interactions. The functionals developed here, CAM-QTP-02 and LC-QTP, show mitigated self-interaction error, correctly predict vertical ionization potentials as the negative of eigenvalues for occupied orbitals, and provide nice excitation energies, even for challenging charge-transfer excited states. Moreover, some improvements are observed for reaction barrier heights with respect to the other functionals belonging to the quantum theory project (QTP) family. Finally, the most important achievement of these new functionals is an excellent description of vertical electron affinities (EAs) of atoms and molecules as the negative of appropriate virtual orbital eigenvalues. In this case, the mean absolute deviations for EAs in molecules are smaller than 0.10 eV, showing that physical interpretation can indeed be ascribed to some unoccupied orbitals from DFT.

Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory

NASA Astrophysics Data System (ADS)

Haiduke, Roberto Luiz A.; Bartlett, Rodney J.

2018-05-01

Some of the exact conditions provided by the correlated orbital theory are employed to propose new non-empirical parameterizations for exchange-correlation functionals from Density Functional Theory (DFT). This reparameterization process is based on range-separated functionals with 100% exact exchange for long-range interelectronic interactions. The functionals developed here, CAM-QTP-02 and LC-QTP, show mitigated self-interaction error, correctly predict vertical ionization potentials as the negative of eigenvalues for occupied orbitals, and provide nice excitation energies, even for challenging charge-transfer excited states. Moreover, some improvements are observed for reaction barrier heights with respect to the other functionals belonging to the quantum theory project (QTP) family. Finally, the most important achievement of these new functionals is an excellent description of vertical electron affinities (EAs) of atoms and molecules as the negative of appropriate virtual orbital eigenvalues. In this case, the mean absolute deviations for EAs in molecules are smaller than 0.10 eV, showing that physical interpretation can indeed be ascribed to some unoccupied orbitals from DFT.

A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

NASA Astrophysics Data System (ADS)

Mathias, Gerald; Egwolf, Bernhard; Nonella, Marco; Tavan, Paul

2003-06-01

We present a combination of the structure adapted multipole method with a reaction field (RF) correction for the efficient evaluation of electrostatic interactions in molecular dynamics simulations under periodic boundary conditions. The algorithm switches from an explicit electrostatics evaluation to a continuum description at the maximal distance that is consistent with the minimum image convention, and, thus, avoids the use of a periodic electrostatic potential. A physically motivated switching function enables charge clusters interacting with a given charge to smoothly move into the solvent continuum by passing through the spherical dielectric boundary surrounding this charge. This transition is complete as soon as the cluster has reached the so-called truncation radius Rc. The algorithm is used to examine the dependence of thermodynamic properties and correlation functions on Rc in the three point transferable intermolecular potential water model. Our test simulations on pure liquid water used either the RF correction or a straight cutoff and values of Rc ranging from 14 Å to 40 Å. In the RF setting, the thermodynamic properties and the correlation functions show convergence for Rc increasing towards 40 Å. In the straight cutoff case no such convergence is found. Here, in particular, the dipole-dipole correlation functions become completely artificial. The RF description of the long-range electrostatics is verified by comparison with the results of a particle-mesh Ewald simulation at identical conditions.

Assessing Many-Body Effects of Water Self-Ions. I: OH-(H2O) n Clusters.

PubMed

Egan, Colin K; Paesani, Francesco

2018-04-10

The importance of many-body effects in the hydration of the hydroxide ion (OH - ) is investigated through a systematic analysis of the many-body expansion of the interaction energy carried out at the CCSD(T) level of theory, extrapolated to the complete basis set limit, for the low-lying isomers of OH - (H 2 O) n clusters, with n = 1-5. This is accomplished by partitioning individual fragments extracted from the whole clusters into "groups" that are classified by both the number of OH - and water molecules and the hydrogen bonding connectivity within each fragment. With the aid of the absolutely localized molecular orbital energy decomposition analysis (ALMO-EDA) method, this structure-based partitioning is found to largely correlate with the character of different many-body interactions, such as cooperative and anticooperative hydrogen bonding, within each fragment. This analysis emphasizes the importance of a many-body representation of inductive electrostatics and charge transfer in modeling OH - hydration. Furthermore, the rapid convergence of the many-body expansion of the interaction energy also suggests a rigorous path for the development of analytical potential energy functions capable of describing individual OH - -water many-body terms, with chemical accuracy. Finally, a comparison between the reference CCSD(T) many-body interaction terms with the corresponding values obtained with various exchange-correlation functionals demonstrates that range-separated, dispersion-corrected, hybrid functionals exhibit the highest accuracy, while GGA functionals, with or without dispersion corrections, are inadequate to describe OH - -water interactions.

A New Method for Atmospheric Correction of MRO/CRISM Data.

NASA Astrophysics Data System (ADS)

Noe Dobrea, Eldar Z.; Dressing, C.; Wolff, M. J.

2009-09-01

The Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) aboard the Mars Reconnaissance Orbiter (MRO) collects hyperspectral images from 0.362 to 3.92 μm at 6.55 nanometers/channel, and at a spatial resolution of 20 m/pixel. The 1-2.6 μm spectral range is often used to identify and map the distribution of hydrous minerals using mineralogically diagnostic bands at 1.4 μm, 1.9 μm, and 2 - 2.5 micron region. Atmospheric correction of the 2-μm CO2 band typically employs the same methodology applied to OMEGA data (Mustard et al., Nature 454, 2008): an atmospheric opacity spectrum, obtained from the ratio of spectra from the base to spectra from the peak of Olympus Mons, is rescaled for each spectrum in the observation to fit the 2-μm CO2 band, and is subsequently used to correct the data. Three important aspects are not considered in this correction: 1) absorptions due to water vapor are improperly accounted for, 2) the band-center of each channel shifts slightly with time, and 3) multiple scattering due to atmospheric aerosols is not considered. The second issue results in miss-registration of the sharp CO2 features in the 2-μm triplet, and hence poor atmospheric correction. This leads to the necessity to ratio all spectra using the spectrum of a spectrally "bland” region in each observation in order to distinguish features 1.9 μm. Here, we present an improved atmospheric correction method, which uses emission phase function (EPF) observations to correct for molecular opacity, and a discrete ordinate radiative transfer algorithm (DISORT - Stamnes et al., Appl. Opt. 27, 1988) to correct for the effects of multiple scattering. This method results in a significant improvement in the correction of the 2-μm CO2 band, allowing us to forgo the use of spectral ratios that affect the spectral shape and preclude the derivation of reflectance values in the data.

Time Dependent Holographic Interferometry and Finite-Element Analysis of Heat Transfer Within a Rectangular Enclosure

DTIC Science & Technology

1976-09-01

describing the system are correctly assembled, a library subroutine (LEQT2F) functioning as a linear equation solver is called and the desired nodal... mooc ^30 •»-< * #00 + O00ɜ-tH Q(M I > •.-4(M-M- +30 ^f0*O I >o • -t-W-QOO 30 t^*Q(Mw O tO^ I o«o»-< •^ + 00 I fH (M(M3 -*>* (M +«o o fOOO *3Q • — » aoo...Documentation Center 2 Cameron Station Alexandria, Virginia 22314 Library , Code 0212 2 Naval Postgraduate School Monterey, California 93940 3

A comprehensive study of the optoelectronic properties of donor-acceptor based derivatives of 1,3,4-oxadiazole

NASA Astrophysics Data System (ADS)

Joshi, Ankita; Ramachandran, C. N.

2017-07-01

A variety of 1,3,4-oxadiazole derivatives based on electron- donor pyrrole and -acceptor nitro groups are modelled. Various isomers of pyrole-oxadiazole-nitro unit and its dimer linked to substituted and unsubstituted phenyl group are studied using the dispersion corrected density functional theoretical method. The electron density distribution in frontier orbitals of the phenyl-spacer compounds bearing amino and phenylamino groups indicates the possibility of intramolecular charge transfer. The isomers of phenyl-spacer compounds absorb in visible region of electromagnetic spectrum. The compounds show high values of light harvesting efficiency, despite the weak anchoring nature of nitro groups.

Epoxide reduction with hydrazine on graphene: a first principles study.

PubMed

Kim, Min Chan; Hwang, Gyeong S; Ruoff, Rodney S

2009-08-14

Mechanisms for epoxide reduction with hydrazine on a single-layer graphene sheet are examined using quantum mechanical calculations within the framework of gradient-corrected spin-polarized density-functional theory. We find that the reduction reaction is mainly governed by epoxide ring opening which is initiated by H transfer from hydrazine or its derivatives. In addition, our calculations suggest that the epoxide reduction by hydrazine may predominantly follow a direct Eley-Rideal mechanism rather than a Langmuir-Hinshelwood mechanism. We also discuss the generation of various hydrazine derivatives during the reduction of graphene oxide with hydrazine and their potential contribution to lowering the barrier height of epoxide ring opening.

Common data buffer system. [communication with computational equipment utilized in spacecraft operations

NASA Technical Reports Server (NTRS)

Byrne, F. (Inventor)

1981-01-01

A high speed common data buffer system is described for providing an interface and communications medium between a plurality of computers utilized in a distributed computer complex forming part of a checkout, command and control system for space vehicles and associated ground support equipment. The system includes the capability for temporarily storing data to be transferred between computers, for transferring a plurality of interrupts between computers, for monitoring and recording these transfers, and for correcting errors incurred in these transfers. Validity checks are made on each transfer and appropriate error notification is given to the computer associated with that transfer.

An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

NASA Astrophysics Data System (ADS)

Hendrickson, Heidi Phillips

A fundamental understanding of charge separation in organic materials is necessary for the rational design of optoelectronic devices suited for renewable energy applications and requires a combination of theoretical, computational, and experimental methods. Density functional theory (DFT) and time-dependent (TD)DFT are cost effective ab-initio approaches for calculating fundamental properties of large molecular systems, however conventional DFT methods have been known to fail in accurately characterizing frontier orbital gaps and charge transfer states in molecular systems. In this dissertation, these shortcomings are addressed by implementing an optimally-tuned range-separated hybrid (OT-RSH) functional approach within DFT and TDDFT. The first part of this thesis presents the way in which RSH-DFT addresses the shortcomings in conventional DFT. Environmentally-corrected RSH-DFT frontier orbital energies are shown to correspond to thin film measurements for a set of organic semiconducting molecules. Likewise, the improved RSH-TDDFT description of charge transfer excitations is benchmarked using a model ethene dimer and silsesquioxane molecules. In the second part of this thesis, RSH-DFT is applied to chromophore-functionalized silsesquioxanes, which are currently investigated as candidates for building blocks in optoelectronic applications. RSH-DFT provides insight into the nature of absorptive and emissive states in silsesquioxanes. While absorption primarily involves transitions localized on one chromophore, charge transfer between chromophores and between chromophore and silsesquioxane cage have been identified. The RSH-DFT approach, including a protocol accounting for complex environmental effects on charge transfer energies, was tested and validated against experimental measurements. The third part of this thesis addresses quantum transport through nano-scale junctions. The ability to quantify a molecular junction via spectroscopic methods is crucial to their technological design and development. Time dependent perturbation theory, employed by non-equilibrium Green's function formalism, is utilized to study the effect of quantum coherences on electron transport and the effect of symmetry breaking on the electronic spectra of model molecular junctions. The fourth part of this thesis presents the design of a physical chemistry course based on a pedagogical approach called Writing-to-Teach. The nature of inaccuracies expressed in student-generated explanations of quantum chemistry topics, and the ability of a peer review process to engage these inaccuracies, is explored within this context.

78 FR 6356 - Notice of Consideration of Approval of Application Regarding Proposed Indirect Transfer of...

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2013-01-30

... NUCLEAR REGULATORY COMMISSION [Docket No. 070-3098; NRC-2011-0081] Notice of Consideration of Approval of Application Regarding Proposed Indirect Transfer of Control of the Construction Authorization for the Mixed Oxide Fuel Fabrication Facility in Aiken, SC; Correction AGENCY: Nuclear Regulatory...

Technology Transfer/A Case Study: Target Strength

DTIC Science & Technology

1974-03-01

Computer, 1 972] are both correct . The first man, a former newspaper writer, credits the intense rate of change now being experienced in society to a...inasmuch as it fails to account for certain diffrac- L tion phenomena; and it will give correct results only for cases where these diffraction...mentioned above, the Luneburg -iline result of Eq. (2,2-49) should be correct as the paraboloid represents an infinite body which does not support

Exploring proton transfer in 1,2,3-triazole-triazolium dimer with ab initio method

NASA Astrophysics Data System (ADS)

Li, Ailin; Yan, Tianying; Shen, Panwen

Ab initio calculations are utilized to search for transition state structures for proton transfer in the 1,2,3-triazole-triazolium complexes on the basis of optimized dimers. The result suggests six transition state structures for single proton transfer in the complexes, most of which are coplanar. The energy barriers, between different stable and transition states structures with zero point energy (ZPE) corrections, show that proton transfer occurs at room temperature with coplanar configuration that has the lowest energy. The results clearly support that reorientation gives triazole flexibility for proton transfer.

Growth factor transgenes interactively regulate articular chondrocytes.

PubMed

Shi, Shuiliang; Mercer, Scott; Eckert, George J; Trippel, Stephen B

2013-04-01

Adult articular chondrocytes lack an effective repair response to correct damage from injury or osteoarthritis. Polypeptide growth factors that stimulate articular chondrocyte proliferation and cartilage matrix synthesis may augment this response. Gene transfer is a promising approach to delivering such factors. Multiple growth factor genes regulate these cell functions, but multiple growth factor gene transfer remains unexplored. We tested the hypothesis that multiple growth factor gene transfer selectively modulates articular chondrocyte proliferation and matrix synthesis. We tested the hypothesis by delivering combinations of the transgenes encoding insulin-like growth factor I (IGF-I), fibroblast growth factor-2 (FGF-2), transforming growth factor beta1 (TGF-β1), bone morphogenetic protein-2 (BMP-2), and bone morphogenetic protien-7 (BMP-7) to articular chondrocytes and measured changes in the production of DNA, glycosaminoglycan, and collagen. The transgenes differentially regulated all these chondrocyte activities. In concert, the transgenes interacted to generate widely divergent responses from the cells. These interactions ranged from inhibitory to synergistic. The transgene pair encoding IGF-I and FGF-2 maximized cell proliferation. The three-transgene group encoding IGF-I, BMP-2, and BMP-7 maximized matrix production and also optimized the balance between cell proliferation and matrix production. These data demonstrate an approach to articular chondrocyte regulation that may be tailored to stimulate specific cell functions, and suggest that certain growth factor gene combinations have potential value for cell-based articular cartilage repair. Copyright © 2012 Wiley Periodicals, Inc.

Adiabatic corrections to density functional theory energies and wave functions.

PubMed

Mohallem, José R; Coura, Thiago de O; Diniz, Leonardo G; de Castro, Gustavo; Assafrão, Denise; Heine, Thomas

2008-09-25

The adiabatic finite-nuclear-mass-correction (FNMC) to the electronic energies and wave functions of atoms and molecules is formulated for density-functional theory and implemented in the deMon code. The approach is tested for a series of local and gradient corrected density functionals, using MP2 results and diagonal-Born-Oppenheimer corrections from the literature for comparison. In the evaluation of absolute energy corrections of nonorganic molecules the LDA PZ81 functional works surprisingly better than the others. For organic molecules the GGA BLYP functional has the best performance. FNMC with GGA functionals, mainly BLYP, show a good performance in the evaluation of relative corrections, except for nonorganic molecules containing H atoms. The PW86 functional stands out with the best evaluation of the barrier of linearity of H2O and the isotopic dipole moment of HDO. In general, DFT functionals display an accuracy superior than the common belief and because the corrections are based on a change of the electronic kinetic energy they are here ranked in a new appropriate way. The approach is applied to obtain the adiabatic correction for full atomization of alcanes C(n)H(2n+2), n = 4-10. The barrier of 1 mHartree is approached for adiabatic corrections, justifying its insertion into DFT.

Effects of the Earth’s atmosphere and human neural processing of light on the apparent colors of stars

NASA Astrophysics Data System (ADS)

Savino, Michael; Comins, Neil Francis

2015-01-01

The aim of this study is to develop a mathematical algorithm for quantifying the perceived colors of stars as viewed from the surface of the Earth across a wide range of possible atmospheric conditions. These results are then used to generate color-corrected stellar images. As a first step, optics corrections are calculated to adjust for the CCD bias and the transmission curves of any filters used during image collection. Next, corrections for atmospheric scattering and absorption are determined for the atmospheric conditions during imaging by utilizing the Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS). These two sets of corrections are then applied to a series of reference spectra, which are then weighted against the CIE 1931 XYZ color matching functions before being mapped onto the sRGB color space, in order to determine a series of reference colors against which the original image will be compared. Each pixel of the image is then re-colored based upon its closest corresponding reference spectrum so that the final image output closely matches, in color, what would be seen by the human eye above the Earth's atmosphere. By comparing against the reference spectrum, the stellar classification for each star in the image can also be determined. An observational experiment is underway to test the accuracy of these calculations.

How transfer flights shape the structure of the airline network.

PubMed

Ryczkowski, Tomasz; Fronczak, Agata; Fronczak, Piotr

2017-07-17

In this paper, we analyse the gravity model in the global passenger air-transport network. We show that in the standard form, the model is inadequate for correctly describing the relationship between passenger flows and typical geo-economic variables that characterize connected countries. We propose a model for transfer flights that allows exploitation of these discrepancies in order to discover hidden subflows in the network. We illustrate its usefulness by retrieving the distance coefficient in the gravity model, which is one of the determinants of the globalization process. Finally, we discuss the correctness of the presented approach by comparing the distance coefficient to several well-known economic events.

Full-Scale Turbofan-Engine Turbine-Transfer Function Determination Using Three Internal Sensors

NASA Technical Reports Server (NTRS)

Hultgren, Lennart S.

2011-01-01

Existing NASA/Honeywell EVNERT full-scale static engine test data is analyzed by using source-separation techniques in order to determine the turbine transfer of the currently sub-dominant combustor noise. The results are used to assess the combustor-noise prediction capability of the Aircraft Noise Prediction Program (ANOPP). Time-series data from three sensors internal to the Honeywell TECH977 research engine is used in the analysis. The true combustor-noise turbine-transfer function is educed by utilizing a new three-signal approach. The resulting narrowband gain factors are compared with the corresponding constant values obtained from two empirical acoustic-turbine-loss formulas. It is found that a simplified Pratt & Whitney formula agrees better with the experimental results for frequencies of practical importance. The 130 deg downstream-direction far-field 1/3-octave sound-pressure levels (SPL) results of Hultgren & Miles are reexamined using a post-correction of their ANOPP predictions for both the total noise signature and the combustion-noise component. It is found that replacing the standard ANOPP turbine-attenuation function for combustion noise with the simplified Pratt & Whitney formula clearly improves the predictions. It is recommended that the GECOR combustion-noise module in ANOPP be updated to allow for a user-selectable switch between the current transmission-loss model and the simplified Pratt & Whitney formula. The NASA Fundamental Aeronautics Program has the principal objective of overcoming today's national challenges in air transportation. The Subsonic Fixed Wing Project's Reduce-Perceived-Noise Technical Challenge aims to develop concepts and technologies to dramatically reduce the perceived aircraft noise outside of airport boundaries. The reduction of aircraft noise is critical to enabling the anticipated large increase in future air traffic.

Building the analytical response in frequency domain of AC biased bolometers. Application to Planck/HFI

NASA Astrophysics Data System (ADS)

Sauvé, Alexandre; Montier, Ludovic

2016-12-01

Context: Bolometers are high sensitivity detector commonly used in Infrared astronomy. The HFI instrument of the Planck satellite makes extensive use of them, but after the satellite launch two electronic related problems revealed critical. First an unexpected excess response of detectors at low optical excitation frequency for ν < 1 Hz, and secondly the Analog To digital Converter (ADC) component had been insufficiently characterized on-ground. These two problems require an exquisite knowledge of detector response. However bolometers have highly nonlinear characteristics, coming from their electrical and thermal coupling making them very difficult to model. Goal: We present a method to build the analytical transfer function in frequency domain which describe the voltage response of an Alternative Current (AC) biased bolometer to optical excitation, based on the standard bolometer model. This model is built using the setup of the Planck/HFI instrument and offers the major improvement of being based on a physical model rather than the currently in use had-hoc model based on Direct Current (DC) bolometer theory. Method: The analytical transfer function expression will be presented in matrix form. For this purpose, we build linearized versions of the bolometer electro thermal equilibrium. A custom description of signals in frequency is used to solve the problem with linear algebra. The model performances is validated using time domain simulations. Results: The provided expression is suitable for calibration and data processing. It can also be used to provide constraints for fitting optical transfer function using real data from steady state electronic response and optical response. The accurate description of electronic response can also be used to improve the ADC nonlinearity correction for quickly varying optical signals.

A Hamiltonian approach to the planar optimization of mid-course corrections

NASA Astrophysics Data System (ADS)

Iorfida, E.; Palmer, P. L.; Roberts, M.

2016-04-01

Lawden's primer vector theory gives a set of necessary conditions that characterize the optimality of a transfer orbit, defined accordingly to the possibility of adding mid-course corrections. In this paper a novel approach is proposed where, through a polar coordinates transformation, the primer vector components decouple. Furthermore, the case when transfer, departure and arrival orbits are coplanar is analyzed using a Hamiltonian approach. This procedure leads to approximate analytic solutions for the in-plane components of the primer vector. Moreover, the solution for the circular transfer case is proven to be the Hill's solution. The novel procedure reduces the mathematical and computational complexity of the original case study. It is shown that the primer vector is independent of the semi-major axis of the transfer orbit. The case with a fixed transfer trajectory and variable initial and final thrust impulses is studied. The acquired related optimality maps are presented and analyzed and they express the likelihood of a set of trajectories to be optimal. Furthermore, it is presented which kind of requirements have to be fulfilled by a set of departure and arrival orbits to have the same profile of primer vector.

Single-exposure quantitative phase imaging in color-coded LED microscopy.

PubMed

Lee, Wonchan; Jung, Daeseong; Ryu, Suho; Joo, Chulmin

2017-04-03

We demonstrate single-shot quantitative phase imaging (QPI) in a platform of color-coded LED microscopy (cLEDscope). The light source in a conventional microscope is replaced by a circular LED pattern that is trisected into subregions with equal area, assigned to red, green, and blue colors. Image acquisition with a color image sensor and subsequent computation based on weak object transfer functions allow for the QPI of a transparent specimen. We also provide a correction method for color-leakage, which may be encountered in implementing our method with consumer-grade LEDs and image sensors. Most commercially available LEDs and image sensors do not provide spectrally isolated emissions and pixel responses, generating significant error in phase estimation in our method. We describe the correction scheme for this color-leakage issue, and demonstrate improved phase measurement accuracy. The computational model and single-exposure QPI capability of our method are presented by showing images of calibrated phase samples and cellular specimens.

Quantitative evaluation method of the threshold adjustment and the flat field correction performances of hybrid photon counting pixel detectors

NASA Astrophysics Data System (ADS)

Medjoubi, K.; Dawiec, A.

2017-12-01

A simple method is proposed in this work for quantitative evaluation of the quality of the threshold adjustment and the flat-field correction of Hybrid Photon Counting pixel (HPC) detectors. This approach is based on the Photon Transfer Curve (PTC) corresponding to the measurement of the standard deviation of the signal in flat field images. Fixed pattern noise (FPN), easily identifiable in the curve, is linked to the residual threshold dispersion, sensor inhomogeneity and the remnant errors in flat fielding techniques. The analytical expression of the signal to noise ratio curve is developed for HPC and successfully used as a fit function applied to experimental data obtained with the XPAD detector. The quantitative evaluation of the FPN, described by the photon response non-uniformity (PRNU), is measured for different configurations (threshold adjustment method and flat fielding technique) and is demonstrated to be used in order to evaluate the best setting for having the best image quality from a commercial or a R&D detector.

Dissipation, intermittency, and singularities in incompressible turbulent flows

NASA Astrophysics Data System (ADS)

Debue, P.; Shukla, V.; Kuzzay, D.; Faranda, D.; Saw, E.-W.; Daviaud, F.; Dubrulle, B.

2018-05-01

We examine the connection between the singularities or quasisingularities in the solutions of the incompressible Navier-Stokes equation (INSE) and the local energy transfer and dissipation, in order to explore in detail how the former contributes to the phenomenon of intermittency. We do so by analyzing the velocity fields (a) measured in the experiments on the turbulent von Kármán swirling flow at high Reynolds numbers and (b) obtained from the direct numerical simulations of the INSE at a moderate resolution. To compute the local interscale energy transfer and viscous dissipation in experimental and supporting numerical data, we use the weak solution formulation generalization of the Kármán-Howarth-Monin equation. In the presence of a singularity in the velocity field, this formulation yields a nonzero dissipation (inertial dissipation) in the limit of an infinite resolution. Moreover, at finite resolutions, it provides an expression for local interscale energy transfers down to the scale where the energy is dissipated by viscosity. In the presence of a quasisingularity that is regularized by viscosity, the formulation provides the contribution to the viscous dissipation due to the presence of the quasisingularity. Therefore, our formulation provides a concrete support to the general multifractal description of the intermittency. We present the maps and statistics of the interscale energy transfer and show that the extreme events of this transfer govern the intermittency corrections and are compatible with a refined similarity hypothesis based on this transfer. We characterize the probability distribution functions of these extreme events via generalized Pareto distribution analysis and find that the widths of the tails are compatible with a similarity of the second kind. Finally, we make a connection between the topological and the statistical properties of the extreme events of the interscale energy transfer field and its multifractal properties.

Long-term in vitro correction of alpha-L-iduronidase deficiency (Hurler syndrome) in human bone marrow.

PubMed Central

Fairbairn, L J; Lashford, L S; Spooncer, E; McDermott, R H; Lebens, G; Arrand, J E; Arrand, J R; Bellantuono, I; Holt, R; Hatton, C E; Cooper, A; Besley, G T; Wraith, J E; Anson, D S; Hopwood, J J; Dexter, T M

1996-01-01

Allogeneic bone marrow transplantation is the most effective treatment for Hurler syndrome but, since this therapy is not available to all patients, we have considered an alternative approach based on transfer and expression of the normal gene in autologous bone marrow. A retroviral vector carrying the full-length cDNA for alpha-L-iduronidase has been constructed and used to transduce bone marrow from patients with this disorder. Various gene-transfer protocols have been assessed including the effect of intensive schedules of exposure of bone marrow to viral supernatant and the influence of growth factors. With these protocols, we have demonstrated successful gene transfer into primitive CD34+ cells and subsequent enzyme expression in their maturing progeny. Also, by using long-term bone marrow cultures, we have demonstrated high levels of enzyme expression sustained for several months. The efficiency of gene transfer has been assessed by PCR analysis of hemopoietic colonies as 25-56%. No advantage has been demonstrated for the addition of growth factors or intensive viral exposure schedules. The enzyme is secreted into the medium and functional localization has been demonstrated by reversal of the phenotypic effects of lysosomal storage in macrophages. This work suggests that retroviral gene transfer into human bone marrow may offer the prospect for gene therapy of Hurler syndrome in young patients without a matched sibling donor. Images Fig. 2 Fig. 4 Fig. 7 Fig. 8 PMID:8700879

Investigating Aerosol Morphology Using Scattering Phase Functions Measured with a Laser Imaging Nephelometer

NASA Astrophysics Data System (ADS)

Manfred, K.; Adler, G. A.; Erdesz, F.; Franchin, A.; Lamb, K. D.; Schwarz, J. P.; Wagner, N.; Washenfelder, R. A.; Womack, C.; Murphy, D. M.

2017-12-01

Particle morphology has important implications for light scattering and radiative transfer, but can be difficult to measure. Biomass burning and other important aerosol sources can generate a mixture of both spherical and non-spherical particle morphologies, and it is necessary to represent these populations correctly in models. We describe a laser imaging nephelometer that measures the unpolarized scattering phase function of bulk aerosol at 375 and 405 nm using a wide-angle lens and CCD. We deployed this instrument to the Missoula Fire Sciences Laboratory to measure biomass burning aerosol morphology from controlled fires during the recent FIREX intensive laboratory study. Total integrated scattering signal agreed with that determined by a cavity ring-down photoacoustic spectrometer system and a traditional integrating nephelometer within instrument uncertainties. We compared measured scattering phase functions at 405 nm to theoretical models for spherical (Mie) and fractal (Rayleigh-Debye-Gans) particle morphologies based on the size distribution reported by an optical particle counter. We show that particle morphology can vary dramatically for different fuel types, and present results for two representative fires (pine tree vs arid shrub). We find that Mie theory is inadequate to describe the actual behavior of realistic aerosols from biomass burning in some situations. This study demonstrates the capabilities of the laser imaging nephelometer instrument to provide real-time, in situ information about dominant particle morphology that is vital for accurate radiative transfer calculations.

Characteristics of the retinal images of the eye optical systems with implanted intraocular lenses

NASA Astrophysics Data System (ADS)

Siedlecki, Damian; Zając, Marek; Nowak, Jerzy

2007-04-01

Cataract, or opacity of crystalline lens in the human eye is one of the most frequent reasons of blindness nowadays. Removing the pathologically altered crystalline lens and replacing it with artificial implantable intraocular lens (IOL) is practically the only therapy in this illness. There exist a wide variety of artificial IOL types on the medical market, differing in their material and design (shape). In this paper six exemplary models of IOL's made of PMMA, acrylic and silicone are considered. The retinal image quality is analyzed numerically on the basis of Liou-Brennan eye model with these IOL's inserted. Chromatic aberration as well as polychromatic Point Spread Function and Modulation Transfer Function are calculated as most adequate image quality measures. The calculations made with Zemax TM software show the importance of chromatic aberration correction.

Optimal superadiabatic population transfer and gates by dynamical phase corrections

NASA Astrophysics Data System (ADS)

Vepsäläinen, A.; Danilin, S.; Paraoanu, G. S.

2018-04-01

In many quantum technologies adiabatic processes are used for coherent quantum state operations, offering inherent robustness to errors in the control parameters. The main limitation is the long operation time resulting from the requirement of adiabaticity. The superadiabatic method allows for faster operation, by applying counterdiabatic driving that corrects for excitations resulting from the violation of the adiabatic condition. In this article we show how to construct the counterdiabatic Hamiltonian in a system with forbidden transitions by using two-photon processes and how to correct for the resulting time-dependent ac-Stark shifts in order to enable population transfer with unit fidelity. We further demonstrate that superadiabatic stimulated Raman passage can realize a robust unitary NOT-gate between the ground state and the second excited state of a three-level system. The results can be readily applied to a three-level transmon with the ladder energy level structure.

Sugar Radical Formation by a Proton Coupled Hole Transfer in 2′-Deoxyguanosine Radical Cation (2′-dG•+): A Theoretical Treatment

PubMed Central

Kumar, Anil; Sevilla, Michael D.

2009-01-01

Previous experimental and theoretical work has established that electronic excitation of a guanine cation radical in nucleosides or in DNA itself leads to sugar radical formation by deprotonation from the dexoxyribose sugar. In this work we investigate a ground electronic state pathway for such sugar radical formation in a hydrated one electron oxidized 2′-deoxyguanosine (dG•+ + 7H2O), using density functional theory (DFT) with the B3LYP functional and the 6-31G* basis set. We follow the stretching of the C5′-H bond in dG•+ to gain an understanding of the energy requirements to transfer the hole from the base to sugar ring and then to deprotonate to proton acceptor sites in solution and on the guanine ring. The geometries of reactant (dG•+ + 7H2O), transition state (TS) for deprotonation of C5′ site and product (dG(•C5′, N7-H+) + 7 H2O) were fully optimized. The zero point energy (ZPE) corrected activation energy (TS) for the proton transfer (PT) from C5′ is calculated to be 9.0 kcal/mol and is achieved by stretching the C5′-H bond by 0.13 Å from its equilibrium bond distance (1.099 Å). Remarkably, this small bond stretch is sufficient to transfer the “hole” (positive charge and spin) from guanine to the C5′ site on the deoxyribose group. Beyond the TS, the proton (H+) spontaneously adds to water to form a hydronium ion (H3O+) as an intermediate. The proton subsequently transfers to the N7 site of the guanine (product). The 9 kcal/mol barrier suggests slow thermal conversion of the cation radical to the sugar radical but also suggests that localized vibrational excitations would be sufficient to induce rapid sugar radical formation in DNA base cation radicals. PMID:19754084

Conditional immortalization of Gunn rat hepatocytes: an ex vivo model for evaluating methods for bilirubin-UDP-glucuronosyltransferase gene transfer.

PubMed

Fox, I J; Chowdhury, N R; Gupta, S; Kondapalli, R; Schilsky, M L; Stockert, R J; Chowdhury, J R

1995-03-01

Viral vectors and protein carriers utilizing asialoglycoprotein receptor (ASGR)-mediated endocytosis are being developed to transfer genes for the correction of bilirubin-UDP-glucuronosyltransferase (bilirubin-UGT) deficiency. Ex vivo evaluation of these gene transfer vectors would be facilitated by a cell system that lacks bilirubin-UGT, but expresses differentiated liver functions, including ASGR. We immortalized primary Gunn rat hepatocytes by transduction with a recombinant Moloney murine leukemia virus expressing a thermolabile mutant SV40 large T antigen (tsA58). At 33 degrees C, the immortalized hepatocyte clones expressed SV40 large T antigen, synthesized DNA, and doubled in number every 2 to 3 days. At this temperature, differentiated hepatocyte markers, e.g., albumin, ASGR, and androsterone-UGT, were expressed at 5% to 10% of the levels found in primary hepatocytes maintained in culture for 24 hours. Glutathione-S-transferase Yp (GST-Yp), an oncofetal protein, was expressed in these cells at 33 degrees C, but was undetectable in primary hepatocytes. In contrast, when the cells were cultured at 39 degrees C or 37 degrees C, the large T antigen was degraded, DNA synthesis and cell growth stopped, and morphologic characteristics of differentiated hepatocytes were observed. The expression of albumin, ASGR, and androsterone-UGT, and their corresponding mRNAs, increased to 25% to 40% of the level in primary hepatocytes, whereas GST-Yp expression decreased. Functionality of ASGR was demonstrated by internalization of Texas red-labeled asialoorosomucoid, and binding and degradation of 125I-asialoorosomucoid. After liposome-mediated transfer of a plasmid containing the coding region of human bilirubin-UGT1, driven by the SV40 large T promoter, active human bilirubin-UGT1 was expressed in these cells. The immortalized cells were not tumorigenic after transplantation into severe combined immunodeficiency mice. These conditionally immortalized cells will be useful for ex vivo evaluation of bilirubin-UGT gene transfer vectors.

Revisit to the RXTE and ASCA Data for GRO J1655-40: Effects of Radiative Transfer in Corona and Color Hardening in the Disk

NASA Technical Reports Server (NTRS)

Zhang, S. Nan; Zhang, Xiaoling; Wu, Xuebing; Yao, Yangsen; Sun, Xuejun; Xu, Haiguang; Cui, Wei; Chen, Wan; Harmon, B. A.; Robinson, C. R.

1999-01-01

The results of spectral modeling of the data for a series of RXTE observations and four ASCA observations of GRO J1655-40 are presented. The thermal Comptonization model is used instead of the power-law model for the hard component of the two-component continuum spectra. The previously reported dramatic variations of the apparent inner disk radius of GRO J1655-40 during its outburst may be due to the inverse Compton scattering in the hot corona. A procedure is developed for making the radiative transfer correction to the fitting parameters from RXTE data and a more stable inner disk radius is obtained. A practical process of determining the color correction (hardening) factor from observational data is proposed and applied to the four ASCA observations of GRO J1655-40. We found that the color correction factor may vary significantly between different observations and the finally corrected physical inner disk radius remains reasonably stable over a large range of luminosity and spectral states.

How well can charge transfer inefficiency be corrected? A parameter sensitivity study for iterative correction

NASA Astrophysics Data System (ADS)

Israel, Holger; Massey, Richard; Prod'homme, Thibaut; Cropper, Mark; Cordes, Oliver; Gow, Jason; Kohley, Ralf; Marggraf, Ole; Niemi, Sami; Rhodes, Jason; Short, Alex; Verhoeve, Peter

2015-10-01

Radiation damage to space-based charge-coupled device detectors creates defects which result in an increasing charge transfer inefficiency (CTI) that causes spurious image trailing. Most of the trailing can be corrected during post-processing, by modelling the charge trapping and moving electrons back to where they belong. However, such correction is not perfect - and damage is continuing to accumulate in orbit. To aid future development, we quantify the limitations of current approaches, and determine where imperfect knowledge of model parameters most degrades measurements of photometry and morphology. As a concrete application, we simulate 1.5 × 109 `worst-case' galaxy and 1.5 × 108 star images to test the performance of the Euclid visual instrument detectors. There are two separable challenges. If the model used to correct CTI is perfectly the same as that used to add CTI, 99.68 per cent of spurious ellipticity is corrected in our setup. This is because readout noise is not subject to CTI, but gets overcorrected during correction. Secondly, if we assume the first issue to be solved, knowledge of the charge trap density within Δρ/ρ = (0.0272 ± 0.0005) per cent and the characteristic release time of the dominant species to be known within Δτ/τ = (0.0400 ± 0.0004) per cent will be required. This work presents the next level of definition of in-orbit CTI calibration procedures for Euclid.

The radiometric characteristics of KOMPSAT-3A by using reference radiometric tarps and ground measurement

NASA Astrophysics Data System (ADS)

Yeom, Jong-Min

2016-09-01

In this study, we performed the vicarious radiometric calibration of KOMPSAT-3A multispectral bands by using 6S radiative transfer model, radiometric tarps, MFRSR measurements. Furthermore, to prepare the accurate input parameter, we also did experiment work to measure the BRDF of radiometric tarps based on hyperspectral gonioradiometer to compensate the observation geometry difference between satellite and ASD Fieldspec 3. Also, we measured point spread function (PSF) by using the bright star and corrected multispectral bands based on the Wiener filter. For accurate atmospheric constituent effects such as aerosol optical depth, column water, and total ozone, we used MFRSR instrument and estimated related optical depth of each gases. Based on input parameters for 6S radiative transfer model, we simulated top of atmosphere (TOA) radiance by observed by KOMPSAT-3A and matched-up the digital number. Consequently, DN to radiance coefficients was determined based on aforementioned methods and showed reasonable statistics results.

Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals

NASA Astrophysics Data System (ADS)

Ge, Qinghui; Mao, Yuezhi; Head-Gordon, Martin

2018-02-01

An energy decomposition analysis (EDA) scheme is developed for understanding the intermolecular interaction involving molecules in their excited states. The EDA utilizes absolutely localized molecular orbitals to define intermediate states and is compatible with excited state methods based on linear response theory such as configuration interaction singles and time-dependent density functional theory. The shift in excitation energy when an excited molecule interacts with the environment is decomposed into frozen, polarization, and charge transfer contributions, and the frozen term can be further separated into Pauli repulsion and electrostatics. These terms can be added to their counterparts obtained from the ground state EDA to form a decomposition of the total interaction energy. The EDA scheme is applied to study a variety of systems, including some model systems to demonstrate the correct behavior of all the proposed energy components as well as more realistic systems such as hydrogen-bonding complexes (e.g., formamide-water, pyridine/pyrimidine-water) and halide (F-, Cl-)-water clusters that involve charge-transfer-to-solvent excitations.

Resonance energy transfer: The unified theory via vector spherical harmonics

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

Grinter, Roger, E-mail: r.grinter@uea.ac.uk; Jones, Garth A., E-mail: garth.jones@uea.ac.uk

2016-08-21

In this work, we derive the well-established expression for the quantum amplitude associated with the resonance energy transfer (RET) process between a pair of molecules that are beyond wavefunction overlap. The novelty of this work is that the field of the mediating photon is described in terms of a spherical wave rather than a plane wave. The angular components of the field are constructed in terms of vector spherical harmonics while Hankel functions are used to define the radial component. This approach alleviates the problem of having to select physically correct solution from non-physical solutions, which seems to be inherentmore » in plane wave derivations. The spherical coordinate system allows one to easily decompose the photon’s fields into longitudinal and transverse components and offers a natural way to analyse near-, intermediate-, and far-zone RET within the context of the relative orientation of the transition dipole moments for the two molecules.« less

Fault isolation through no-overhead link level CRC

DOEpatents

Chen, Dong; Coteus, Paul W.; Gara, Alan G.

2007-04-24

A fault isolation technique for checking the accuracy of data packets transmitted between nodes of a parallel processor. An independent crc is kept of all data sent from one processor to another, and received from one processor to another. At the end of each checkpoint, the crcs are compared. If they do not match, there was an error. The crcs may be cleared and restarted at each checkpoint. In the preferred embodiment, the basic functionality is to calculate a CRC of all packet data that has been successfully transmitted across a given link. This CRC is done on both ends of the link, thereby allowing an independent check on all data believed to have been correctly transmitted. Preferably, all links have this CRC coverage, and the CRC used in this link level check is different from that used in the packet transfer protocol. This independent check, if successfully passed, virtually eliminates the possibility that any data errors were missed during the previous transfer period.

Mitochondrial Transfer by Photothermal Nanoblade Restores Metabolite Profile in Mammalian Cells.

PubMed

Wu, Ting-Hsiang; Sagullo, Enrico; Case, Dana; Zheng, Xin; Li, Yanjing; Hong, Jason S; TeSlaa, Tara; Patananan, Alexander N; McCaffery, J Michael; Niazi, Kayvan; Braas, Daniel; Koehler, Carla M; Graeber, Thomas G; Chiou, Pei-Yu; Teitell, Michael A

2016-05-10

mtDNA sequence alterations are challenging to generate but desirable for basic studies and potential correction of mtDNA diseases. Here, we report a new method for transferring isolated mitochondria into somatic mammalian cells using a photothermal nanoblade, which bypasses endocytosis and cell fusion. The nanoblade rescued the pyrimidine auxotroph phenotype and respiration of ρ0 cells that lack mtDNA. Three stable isogenic nanoblade-rescued clones grown in uridine-free medium showed distinct bioenergetics profiles. Rescue lines 1 and 3 reestablished nucleus-encoded anapleurotic and catapleurotic enzyme gene expression patterns and had metabolite profiles similar to the parent cells from which the ρ0 recipient cells were derived. By contrast, rescue line 2 retained a ρ0 cell metabolic phenotype despite growth in uridine-free selection. The known influence of metabolite levels on cellular processes, including epigenome modifications and gene expression, suggests metabolite profiling can help assess the quality and function of mtDNA-modified cells. Copyright © 2016 Elsevier Inc. All rights reserved.

Airspace Technology Demonstration 3 (ATD-3): Dynamic Weather Routes (DWR) Technology Transfer Document Summary Version 1.0

NASA Technical Reports Server (NTRS)

Sheth, Kapil; Wang, Easter Mayan Chan

2016-01-01

Airspace Technology Demonstration #3 (ATD-3) is part of NASA's Airspace Operations and Safety Program (AOSP) - specifically, its Airspace Technology Demonstrations (ATD) Project. ATD-3 is a multiyear research and development effort which proposes to develop and demonstrate automation technologies and operating concepts that enable air navigation service providers and airspace users to continuously assess weather, winds, traffic, and other information to identify, evaluate, and implement workable opportunities for flight plan route corrections that can result in significant flight time and fuel savings in en route airspace. In order to ensure that the products of this tech-transfer are relevant and useful, NASA has created strong partnerships with the FAA and key industry stakeholders. This summary document and accompanying technology artifacts satisfy the first of three Research Transition Products (RTPs) defined in the Applied Traffic Flow Management (ATFM) Research Transition Team (RTT) Plan. This transfer consists of NASA's legacy Dynamic Weather Routes (DWR) work for efficient routing for en-route weather avoidance. DWR is a ground-based trajectory automation system that continuously and automatically analyzes active airborne aircraft in en route airspace to identify opportunities for simple corrections to flight plan routes that can save significant flying time, at least five minutes wind-corrected, while avoiding weather and considering traffic conflicts, airspace sector congestion, special use airspace, and FAA routing restrictions. The key benefit of the DWR concept is to let automation continuously and automatically analyze active flights to find those where simple route corrections can save significant time and fuel. Operators are busy during weather events. It is more effective to let automation find the opportunities for high-value route corrections.

Assessment of a Bidirectional Reflectance Distribution Correction of Above-Water and Satellite Water-Leaving Radiance in Coastal Waters

NASA Technical Reports Server (NTRS)

Hlaing, Soe; Gilerson, Alexander; Harmal, Tristan; Tonizzo, Alberto; Weidemann, Alan; Arnone, Robert; Ahmed, Samir

2012-01-01

Water-leaving radiances, retrieved from in situ or satellite measurements, need to be corrected for the bidirectional properties of the measured light in order to standardize the data and make them comparable with each other. The current operational algorithm for the correction of bidirectional effects from the satellite ocean color data is optimized for typical oceanic waters. However, versions of bidirectional reflectance correction algorithms specifically tuned for typical coastal waters and other case 2 conditions are particularly needed to improve the overall quality of those data. In order to analyze the bidirectional reflectance distribution function (BRDF) of case 2 waters, a dataset of typical remote sensing reflectances was generated through radiative transfer simulations for a large range of viewing and illumination geometries. Based on this simulated dataset, a case 2 water focused remote sensing reflectance model is proposed to correct above-water and satellite water-leaving radiance data for bidirectional effects. The proposed model is first validated with a one year time series of in situ above-water measurements acquired by collocated multispectral and hyperspectral radiometers, which have different viewing geometries installed at the Long Island Sound Coastal Observatory (LISCO). Match-ups and intercomparisons performed on these concurrent measurements show that the proposed algorithm outperforms the algorithm currently in use at all wavelengths, with average improvement of 2.4% over the spectral range. LISCO's time series data have also been used to evaluate improvements in match-up comparisons of Moderate Resolution Imaging Spectroradiometer satellite data when the proposed BRDF correction is used in lieu of the current algorithm. It is shown that the discrepancies between coincident in-situ sea-based and satellite data decreased by 3.15% with the use of the proposed algorithm.

PubMed Central

LABBÈ, D.; BUSSU, F.; IODICE, A.

2012-01-01

SUMMARY Long-standing peripheral monolateral facial paralysis in the adult has challenged otolaryngologists, neurologists and plastic surgeons for centuries. Notwithstanding, the ultimate goal of normality of the paralyzed hemi-face with symmetry at rest, and the achievement of a spontaneous symmetrical smile with corneal protection, has not been fully reached. At the beginning of the 20th century, the main options were neural reconstructions including accessory to facial nerve transfer and hypoglossal to facial nerve crossover. In the first half of the 20th century, various techniques for static correction with autologous temporalis muscle and fascia grafts were proposed as the techniques of Gillies (1934) and McLaughlin (1949). Cross-facial nerve grafts have been performed since the beginning of the 1970s often with the attempt to transplant free-muscle to restore active movements. However, these transplants were non-vascularized, and further evaluations revealed central fibrosis and minimal return of function. A major step was taken in the second half of the 1970s, with the introduction of microneurovascular muscle transfer in facial reanimation, which, often combined in two steps with a cross-facial nerve graft, has become the most popular option for the comprehensive treatment of long-standing facial paralysis. In the second half of the 1990s in France, a regional muscle transfer technique with the definite advantages of being one-step, technically easier and relatively fast, namely lengthening temporalis myoplasty, acquired popularity and consensus among surgeons treating facial paralysis. A total of 111 patients with facial paralysis were treated in Caen between 1997 and 2005 by a single surgeon who developed 2 variants of the technique (V1, V2), each with its advantages and disadvantages, but both based on the same anatomo-functional background and aim, which is transfer of the temporalis muscle tendon on the coronoid process to the lips. For a comprehensive treatment of the paralysis, the eyelids are usually managed by Paul Tessier's technique to lengthen the levator muscle of the upper eyelid by aponeurosis interposition, combined with external blepharorrhaphy with Krastinova-Lolov's technique. Facial reanimation using lengthening temporalis myoplasty is a dynamic procedure that has its roots in the techniques of Gillies and McLaughlin. This method is a true lengthening myoplasty procedure using no intermediate grafts. In general, the results with a 1-stage combination of lengthening temporalis myoplasty and static correction of the lagophthalmos appear comparable with the major series in the literature using free microneurovascular transfers combined with cross-facial nerve grafts for longstanding peripheral monolateral facial paralysis. The obvious advantages of temporalis elongation myoplasty consist in its technical ease, a single step, low incidence of complications and markedly reduced operating time. PMID:22767978

A comprehensive approach to long-standing facial paralysis based on lengthening temporalis myoplasty.

PubMed

Labbè, D; Bussu, F; Iodice, A

2012-06-01

Long-standing peripheral monolateral facial paralysis in the adult has challenged otolaryngologists, neurologists and plastic surgeons for centuries. Notwithstanding, the ultimate goal of normality of the paralyzed hemi-face with symmetry at rest, and the achievement of a spontaneous symmetrical smile with corneal protection, has not been fully reached. At the beginning of the 20(th) century, the main options were neural reconstructions including accessory to facial nerve transfer and hypoglossal to facial nerve crossover. In the first half of the 20(th) century, various techniques for static correction with autologous temporalis muscle and fascia grafts were proposed as the techniques of Gillies (1934) and McLaughlin (1949). Cross-facial nerve grafts have been performed since the beginning of the 1970s often with the attempt to transplant free-muscle to restore active movements. However, these transplants were non-vascularized, and further evaluations revealed central fibrosis and minimal return of function. A major step was taken in the second half of the 1970s, with the introduction of microneurovascular muscle transfer in facial reanimation, which, often combined in two steps with a cross-facial nerve graft, has become the most popular option for the comprehensive treatment of long-standing facial paralysis. In the second half of the 1990s in France, a regional muscle transfer technique with the definite advantages of being one-step, technically easier and relatively fast, namely lengthening temporalis myoplasty, acquired popularity and consensus among surgeons treating facial paralysis. A total of 111 patients with facial paralysis were treated in Caen between 1997 and 2005 by a single surgeon who developed 2 variants of the technique (V1, V2), each with its advantages and disadvantages, but both based on the same anatomo-functional background and aim, which is transfer of the temporalis muscle tendon on the coronoid process to the lips. For a comprehensive treatment of the paralysis, the eyelids are usually managed by Paul Tessier's technique to lengthen the levator muscle of the upper eyelid by aponeurosis interposition, combined with external blepharorrhaphy with Krastinova-Lolov's technique. Facial reanimation using lengthening temporalis myoplasty is a dynamic procedure that has its roots in the techniques of Gillies and McLaughlin. This method is a true lengthening myoplasty procedure using no intermediate grafts. In general, the results with a 1-stage combination of lengthening temporalis myoplasty and static correction of the lagophthalmos appear comparable with the major series in the literature using free microneurovascular transfers combined with cross-facial nerve grafts for longstanding peripheral monolateral facial paralysis. The obvious advantages of temporalis elongation myoplasty consist in its technical ease, a single step, low incidence of complications and markedly reduced operating time.

75 FR 70288 - Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-17

... DEPARTMENT OF THE INTERIOR Bureau of Land Management [LLCAD06000-L14300000-ET0000; CACA 43949] Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California AGENCY: Bureau of Land Management, Interior. ACTION: Correction. SUMMARY: The Bureau of Land Management published...

34 CFR 200.37 - Notice of identification for improvement, corrective action, or restructuring.

Code of Federal Regulations, 2013 CFR

2013-07-01

... of each child enrolled in the school of this identification. (b) The notice referred to in paragraph... explanation of the parents' option to transfer their child to another public school, including the provision... schools to which the child may transfer. (iii) The explanation may include other information on the school...

34 CFR 200.37 - Notice of identification for improvement, corrective action, or restructuring.

Code of Federal Regulations, 2010 CFR

2010-07-01

... of each child enrolled in the school of this identification. (b) The notice referred to in paragraph... explanation of the parents' option to transfer their child to another public school, including the provision... schools to which the child may transfer. (iii) The explanation may include other information on the school...

34 CFR 200.37 - Notice of identification for improvement, corrective action, or restructuring.

Code of Federal Regulations, 2014 CFR

2014-07-01

... of each child enrolled in the school of this identification. (b) The notice referred to in paragraph... explanation of the parents' option to transfer their child to another public school, including the provision... schools to which the child may transfer. (iii) The explanation may include other information on the school...

34 CFR 200.37 - Notice of identification for improvement, corrective action, or restructuring.

Code of Federal Regulations, 2011 CFR

2011-07-01

... of each child enrolled in the school of this identification. (b) The notice referred to in paragraph... explanation of the parents' option to transfer their child to another public school, including the provision... schools to which the child may transfer. (iii) The explanation may include other information on the school...

34 CFR 200.37 - Notice of identification for improvement, corrective action, or restructuring.

Code of Federal Regulations, 2012 CFR

2012-07-01

... of each child enrolled in the school of this identification. (b) The notice referred to in paragraph... explanation of the parents' option to transfer their child to another public school, including the provision... schools to which the child may transfer. (iii) The explanation may include other information on the school...

76 FR 67473 - Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-01

... DEPARTMENT OF THE INTERIOR Bureau of Land Management [CACA 43949, LLCA930000, L14300000.ET0000] Notice of Proposed Withdrawal, Transfer of Jurisdiction, and Notice of Public Meeting; California AGENCY: Bureau of Land Management, Interior. ACTION: Notice; Correction. SUMMARY: The Bureau of Land Management...

Cactus

ERIC Educational Resources Information Center

Hyde, Hartley

2007-01-01

The transfer of data from one part of a computer to another has always been a complex task in which speed is traded against accuracy and the time required for error correction. Much more complex therefore is the transfer of information from one machine to another of a different type. Difficulties arise when machines are updated, when file formats…

An Outbreak of Syphilis in Alabama Prisons: Correctional Health Policy and Communicable Disease Control

PubMed Central

Wolfe, Mitchell I.; Xu, Fujie; Patel, Priti; O'Cain, Michael; Schillinger, Julia A.; St. Louis, Michael E.; Finelli, Lyn

2001-01-01

Objectives. After syphilis outbreaks were reported at 3 Alabama State men's prisons in early 1999, we conducted an investigation to evaluate risk factors for syphilis infection and describe patterns of syphilis transmission. Methods. We reviewed medical, patient interview, and prison transfer records and documented sexual networks. Presumptive source cases were identified. Odds of exposure to unscreened jail populations and transfer from other prisons were calculated for case patients at 1 prison. Results. Thirty-nine case patients with early syphilis were identified from 3 prisons. Recent jail exposure (odds ratio [OR] = 8.0, 95% confidence interval [CI] = 0.3, 158.7, P = .14) and prison transfer (OR = 32.0, 95% CI = 1.6, 1668.1, P < .01) were associated with being a source case patient. Conclusions. Probable sources of syphilis introduction into and transmission within prisons included mixing of prisoners with unscreened jail populations, transfer of infected inmates between prisons, and multiple concurrent sexual partnerships. Reducing sexual transmission of disease in correctional settings is a public health priority and will require innovative prevention strategies. PMID:11499107

High accuracy time transfer synchronization

NASA Technical Reports Server (NTRS)

Wheeler, Paul J.; Koppang, Paul A.; Chalmers, David; Davis, Angela; Kubik, Anthony; Powell, William M.

1995-01-01

In July 1994, the U.S. Naval Observatory (USNO) Time Service System Engineering Division conducted a field test to establish a baseline accuracy for two-way satellite time transfer synchronization. Three Hewlett-Packard model 5071 high performance cesium frequency standards were transported from the USNO in Washington, DC to Los Angeles, California in the USNO's mobile earth station. Two-Way Satellite Time Transfer links between the mobile earth station and the USNO were conducted each day of the trip, using the Naval Research Laboratory(NRL) designed spread spectrum modem, built by Allen Osborne Associates(AOA). A Motorola six channel GPS receiver was used to track the location and altitude of the mobile earth station and to provide coordinates for calculating Sagnac corrections for the two-way measurements, and relativistic corrections for the cesium clocks. This paper will discuss the trip, the measurement systems used and the results from the data collected. We will show the accuracy of using two-way satellite time transfer for synchronization and the performance of the three HP 5071 cesium clocks in an operational environment.

From Operating-System Correctness to Pervasively Verified Applications

NASA Astrophysics Data System (ADS)

Daum, Matthias; Schirmer, Norbert W.; Schmidt, Mareike

Though program verification is known and has been used for decades, the verification of a complete computer system still remains a grand challenge. Part of this challenge is the interaction of application programs with the operating system, which is usually entrusted with retrieving input data from and transferring output data to peripheral devices. In this scenario, the correct operation of the applications inherently relies on operating-system correctness. Based on the formal correctness of our real-time operating system Olos, this paper describes an approach to pervasively verify applications running on top of the operating system.

Publisher Correction: Studying light-harvesting models with superconducting circuits.

PubMed

Potočnik, Anton; Bargerbos, Arno; Schröder, Florian A Y N; Khan, Saeed A; Collodo, Michele C; Gasparinetti, Simone; Salathé, Yves; Creatore, Celestino; Eichler, Christopher; Türeci, Hakan E; Chin, Alex W; Wallraff, Andreas

2018-06-08

The original HTML version of this Article contained an error in the second mathematical expression in the fourth sentence of the fourth paragraph of the 'Excitation transfer with uniform white noise' section of the Results. This has been corrected in the HTML version of the Article.The original PDF version of this Article incorrectly stated that 'Correspondence and requests for materials should be addressed to A. Pčn.', instead of the correct 'Correspondence and requests for materials should be addressed to A. Potočnik'. This has been corrected in the PDF version of the Article.

5 CFR 351.303 - Identification of positions with a transferring function.

Code of Federal Regulations, 2013 CFR

2013-01-01

... transferring function. 351.303 Section 351.303 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with a transferring function. (a) The competitive area losing the function is responsible for identifying the...

5 CFR 351.303 - Identification of positions with a transferring function.

Code of Federal Regulations, 2014 CFR

2014-01-01

... transferring function. 351.303 Section 351.303 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with a transferring function. (a) The competitive area losing the function is responsible for identifying the...

An implementation of the SNR high speed network communication protocol (Receiver part)

NASA Astrophysics Data System (ADS)

Wan, Wen-Jyh

1995-03-01

This thesis work is to implement the receiver pan of the SNR high speed network transport protocol. The approach was to use the Systems of Communicating Machines (SCM) as the formal definition of the protocol. Programs were developed on top of the Unix system using C programming language. The Unix system features that were adopted for this implementation were multitasking, signals, shared memory, semaphores, sockets, timers and process control. The problems encountered, and solved, were signal loss, shared memory conflicts, process synchronization, scheduling, data alignment and errors in the SCM specification itself. The result was a correctly functioning program which implemented the SNR protocol. The system was tested using different connection modes, lost packets, duplicate packets and large data transfers. The contributions of this thesis are: (1) implementation of the receiver part of the SNR high speed transport protocol; (2) testing and integration with the transmitter part of the SNR transport protocol on an FDDI data link layered network; (3) demonstration of the functions of the SNR transport protocol such as connection management, sequenced delivery, flow control and error recovery using selective repeat methods of retransmission; and (4) modifications to the SNR transport protocol specification such as corrections for incorrect predicate conditions, defining of additional packet types formats, solutions for signal lost and processes contention problems etc.

A dual memory theory of the testing effect.

PubMed

Rickard, Timothy C; Pan, Steven C

2017-06-05

A new theoretical framework for the testing effect-the finding that retrieval practice is usually more effective for learning than are other strategies-is proposed, the empirically supported tenet of which is that separate memories form as a consequence of study and test events. A simplest case quantitative model is derived from that framework for the case of cued recall. With no free parameters, that model predicts both proportion correct in the test condition and the magnitude of the testing effect across 10 experiments conducted in our laboratory, experiments that varied with respect to material type, retention interval, and performance in the restudy condition. The model also provides the first quantitative accounts of (a) the testing effect as a function of performance in the restudy condition, (b) the upper bound magnitude of the testing effect, (c) the effect of correct answer feedback, (d) the testing effect as a function of retention interval for the cases of feedback and no feedback, and (e) the effect of prior learning method on subsequent learning through testing. Candidate accounts of several other core phenomena in the literature, including test-potentiated learning, recognition versus cued recall training effects, cued versus free recall final test effects, and other select transfer effects, are also proposed. Future prospects and relations to other theories are discussed.

Dynamics in entangled polyethylene melts using coarse-grained models

NASA Astrophysics Data System (ADS)

Peters, Brandon L.; Grest, Gary S.; Salerno, K. Michael; Agrawal, Anupriya; Perahia, Dvora

Polymer dynamics creates distinctive viscoelastic behavior as a result of a coupled interplay of motion on multiple length scales. Capturing the broad time and length scales of polymeric motion however, remains a challenge. Using polyethylene (PE) as a model system, we probe the effects of the degree of coarse graining on polymer dynamics. Coarse-grained (CG) potentials are derived using iterative Boltzmann inversion (iBi) with 2-6 methyl groups per CG bead from all fully atomistic melt simulations for short chains. While the iBi methods produces non-bonded potentials which give excellent agreement for the atomistic and CG pair correlation functions, the pressure P = 100-500MPa for the CG model. Correcting for potential so P 0 leads to non-bonded models with slightly smaller effective diameter and much deeper minimum. However, both the pressure and non-pressure corrected CG models give similar results for mean squared displacement (MSD) and the stress auto correlation function G(t) for PE melts above the melting point. The time rescaling factor between CG and atomistic models is found to be nearly the same for both CG models. Transferability of potential for different temperatures was tested by comparing the MSD and G(t) for potentials generated at different temperatures.

Magnetization transfer contrast-suppressed imaging of amide proton transfer and relayed nuclear overhauser enhancement chemical exchange saturation transfer effects in the human brain at 7T.

PubMed

Xu, Xiang; Yadav, Nirbhay N; Zeng, Haifeng; Jones, Craig K; Zhou, Jinyuan; van Zijl, Peter C M; Xu, Jiadi

2016-01-01

To use the variable delay multipulse (VDMP) chemical exchange saturation transfer (CEST) approach to obtain clean amide proton transfer (APT) and relayed Nuclear Overhauser enhancement (rNOE) CEST images in the human brain by suppressing the conventional magnetization transfer contrast (MTC) and reducing the direct water saturation contribution. The VDMP CEST scheme consists of a train of RF pulses with a specific mixing time. The CEST signal with respect to the mixing time shows distinguishable characteristics for protons with different exchange rates. Exchange rate filtered CEST images are generated by subtracting images acquired at two mixing times at which the MTC signals are equal, while the APT and rNOE-CEST signals differ. Because the subtraction is performed at the same frequency offset for each voxel and the CEST signals are broad, no B0 correction is needed. MTC-suppressed APT and rNOE-CEST images of human brain were obtained using the VDMP method. The APT-CEST data show hyperintensity in gray matter versus white matter, whereas the rNOE-CEST images show negligible contrast between gray and white matter. The VDMP approach provides a simple and rapid way of recording MTC-suppressed APT-CEST and rNOE-CEST images without the need for B0 field correction. © 2015 Wiley Periodicals, Inc.

NASA's Black Marble Nighttime Lights Product Suite

NASA Technical Reports Server (NTRS)

Wang, Zhuosen; Sun, Qingsong; Seto, Karen C.; Oda, Tomohiro; Wolfe, Robert E.; Sarkar, Sudipta; Stevens, Joshua; Ramos Gonzalez, Olga M.; Detres, Yasmin; Esch, Thomas;

78 FR 25470 - Notice of Inventory Completion for Native American Human Remains and Associated Funerary Objects...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-01

....R50000] Notice of Inventory Completion for Native American Human Remains and Associated Funerary Objects... corrected an inventory of human remains and associated funerary objects, published in a Notice of Inventory... associated funerary objects from the Bynum Mounds site. Transfer of control of the items in this correction...

Measurement of the neutron F2 structure function via spectator tagging with CLAS.

PubMed

Baillie, N; Tkachenko, S; Zhang, J; Bosted, P; Bültmann, S; Christy, M E; Fenker, H; Griffioen, K A; Keppel, C E; Kuhn, S E; Melnitchouk, W; Tvaskis, V; Adhikari, K P; Adikaram, D; Aghasyan, M; Amaryan, M J; Anghinolfi, M; Arrington, J; Avakian, H; Baghdasaryan, H; Battaglieri, M; Biselli, A S; Branford, D; Briscoe, W J; Brooks, W K; Burkert, V D; Carman, D S; Celentano, A; Chandavar, S; Charles, G; Cole, P L; Contalbrigo, M; Crede, V; D'Angelo, A; Daniel, A; Dashyan, N; De Vita, R; De Sanctis, E; Deur, A; Dey, B; Djalali, C; Dodge, G; Domingo, J; Doughty, D; Dupre, R; Dutta, D; Ent, R; Egiyan, H; El Alaoui, A; El Fassi, L; Elouadrhiri, L; Eugenio, P; Fedotov, G; Fegan, S; Fradi, A; Gabrielyan, M Y; Gevorgyan, N; Gilfoyle, G P; Giovanetti, K L; Girod, F X; Gohn, W; Golovatch, E; Gothe, R W; Graham, L; Guegan, B; Guidal, M; Guler, N; Guo, L; Hafidi, K; Heddle, D; Hicks, K; Holtrop, M; Hungerford, E; Hyde, C E; Ilieva, Y; Ireland, D G; Ispiryan, M; Isupov, E L; Jawalkar, S S; Jo, H S; Kalantarians, N; Khandaker, M; Khetarpal, P; Kim, A; Kim, W; King, P M; Klein, A; Klein, F J; Klimenko, A; Kubarovsky, V; Kuleshov, S V; Kvaltine, N D; Livingston, K; Lu, H Y; MacGregor, I J D; Mao, Y; Markov, N; McKinnon, B; Mineeva, T; Morrison, B; Moutarde, H; Munevar, E; Nadel-Turonski, P; Ni, A; Niccolai, S; Niculescu, I; Niculescu, G; Osipenko, M; Ostrovidov, A I; Pappalardo, L; Park, K; Park, S; Pasyuk, E; Anefalos Pereira, S; Pisano, S; Pozdniakov, S; Price, J W; Procureur, S; Prok, Y; Protopopescu, D; Raue, B A; Ricco, G; Rimal, D; Ripani, M; Rosner, G; Rossi, P; Sabatié, F; Saini, M S; Salgado, C; Schott, D; Schumacher, R A; Seder, E; Sharabian, Y G; Sober, D I; Sokhan, D; Stepanyan, S; Stepanyan, S S; Stoler, P; Strauch, S; Taiuti, M; Tang, W; Ungaro, M; Vineyard, M F; Voutier, E; Watts, D P; Weinstein, L B; Weygand, D P; Wood, M H; Zana, L; Zhao, B

2012-04-06

We report on the first measurement of the F(2) structure function of the neutron from the semi-inclusive scattering of electrons from deuterium, with low-momentum protons detected in the backward hemisphere. Restricting the momentum of the spectator protons to ≲100 MeV/c and their angles to ≳100° relative to the momentum transfer allows an interpretation of the process in terms of scattering from nearly on-shell neutrons. The F(2)(n) data collected cover the nucleon-resonance and deep-inelastic regions over a wide range of Bjorken x for 0.65

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Measuring ECS Interaction with Biomembranes.

PubMed

Angelucci, Clotilde B; Sabatucci, Annalaura; Dainese, Enrico

2016-01-01

Understanding the correct interaction among the different components of the endocannabinoid system (ECS) is fundamental for a proper assessment of the function of endocannabinoids (eCBs) as signaling molecules. The knowledge of how membrane environment is able to modulate intracellular trafficking of eCBs and their interacting proteins holds a huge potential in unraveling new mechanisms of ECS modulation.Here, fluorescence resonance energy transfer (FRET) technique is applied to measure the binding affinity of ECS proteins to model membranes (i.e., large unilamellar vesicles, LUVs). In particular, we describe in details the paradigmatic example of the interaction of recombinant rat FAAH-ΔTM with LUVs constituted by 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC).

MODTRAN4 radiative transfer modeling for atmospheric correction

NASA Astrophysics Data System (ADS)

Berk, Alexander; Anderson, Gail P.; Bernstein, Lawrence S.; Acharya, Prabhat K.; Dothe, H.; Matthew, Michael W.; Adler-Golden, Steven M.; Chetwynd, James H.; Richtsmeier, Steven C.; Pukall, Brian; Allred, Clark L.; Jeong, Laila S.; Hoke, Michael L.

1999-10-01

MODTRAN4, the latest publicly released version of MODTRAN, provides many new and important options for modeling atmospheric radiation transport. A correlated-k algorithm improves multiple scattering, eliminates Curtis-Godson averaging, and introduces Beer's Law dependencies into the band model. An optimized 15 cm(superscript -1) band model provides over a 10-fold increase in speed over the standard MODTRAN 1 cm(superscript -1) band model with comparable accuracy when higher spectral resolution results are unnecessary. The MODTRAN ground surface has been upgraded to include the effects of Bidirectional Reflectance Distribution Functions (BRDFs) and Adjacency. The BRDFs are entered using standard parameterizations and are coupled into line-of-sight surface radiance calculations.

Advanced astigmatism-corrected Czerny-Turner imaging spectrometer in spectral broadband

NASA Astrophysics Data System (ADS)

Cong, Hai-fang

2014-12-01

This paper reports an advanced Czerny-Turner optical structure which is used for the application in imaging spectrometers. To obtain the excellent imaging quality, a cylindrical lens with a wedge angle is used between the focusing mirror and the imaging plane to remove astigmatism in broadband. It makes the advanced optical system presents high resolution over the full bandwidth and decreases the cost. An example of the imaging spectrometer in the waveband of 260nm~520nm has been designed to prove our theory. It yields the excellent modulation transfer functions (MTF) of all fields of view which are more than 0.75 over the broadband under the required Nyquist frequency (20lp/mm).

FORTRAN Based Linear Programming for Microcomputers.

DTIC Science & Technology

1982-12-01

OB.JECTIVE FUNCTION I C COEFFICIENTS AND MAXINIZATIONiIINIZATION CHOICE OF THE I c CURRENT NOBEL . USED IN CORRECTION OF MOST RECENi NOEL INPUT I C OP...WRITE (1, 200) 200 FeRNAT/5WINyALID ENTRY, PLEASE REENTER’) 60 TO 150 ENDIF C NOBEL WRTTEN TO DISK WAItE (3) PN, NXNN,NN,K1 , NE-C, N6C,NLC DO 250 121,10...CHAR4I2) WRITE’A,’Ql1’/,1X,’’INSCRE DISK( LPI1 5I AVAIL43LE.’’,7(/)’f PAUSE C NME OF NOBEL LAST SAVED WRITTEN TO TR.ANSFER FILE OFEN(3,FILEx’LPIsLPDATA

Development and implementation of an automated quantitative film digitizer quality control program

NASA Astrophysics Data System (ADS)

Fetterly, Kenneth A.; Avula, Ramesh T. V.; Hangiandreou, Nicholas J.

1999-05-01

A semi-automated, quantitative film digitizer quality control program that is based on the computer analysis of the image data from a single digitized test film was developed. This program includes measurements of the geometric accuracy, optical density performance, signal to noise ratio, and presampled modulation transfer function. The variability of the measurements was less than plus or minus 5%. Measurements were made on a group of two clinical and two laboratory laser film digitizers during a trial period of approximately four months. Quality control limits were established based on clinical necessity, vendor specifications and digitizer performance. During the trial period, one of the digitizers failed the performance requirements and was corrected by calibration.

Design of an electrostatic phase shifting device for biological transmission electron microscopy.

PubMed

Koeck, Philip J B

2018-04-01

I suggest an electrostatic phase plate designed to broaden the contrast transfer function of a transmission electron microscope operated close to Scherzer defocus primarily in the low resolution direction. At higher defocus the low frequency behavior is equal to that close to Scherzer defocus, but CTF-correction becomes necessary to extend image interpretation to higher resolution. One simple realization of the phase plate consists of two ring shaped electrodes symmetrically surrounding the central beam. Since no physical components come into contact with the central beam and charge on the electrodes is controlled by an external voltage supply, problems with uncontrolled charging are expected to be reduced. Copyright © 2018 Elsevier B.V. All rights reserved.

Gradient waveform pre-emphasis based on the gradient system transfer function.

PubMed

Stich, Manuel; Wech, Tobias; Slawig, Anne; Ringler, Ralf; Dewdney, Andrew; Greiser, Andreas; Ruyters, Gudrun; Bley, Thorsten A; Köstler, Herbert

2018-02-25

The gradient system transfer function (GSTF) has been used to describe the distorted k-space trajectory for image reconstruction. The purpose of this work was to use the GSTF to determine the pre-emphasis for an undistorted gradient output and intended k-space trajectory. The GSTF of the MR system was determined using only standard MR hardware without special equipment such as field probes or a field camera. The GSTF was used for trajectory prediction in image reconstruction and for a gradient waveform pre-emphasis. As test sequences, a gradient-echo sequence with phase-encoding gradient modulation and a gradient-echo sequence with a spiral read-out trajectory were implemented and subsequently applied on a structural phantom and in vivo head measurements. Image artifacts were successfully suppressed by applying the GSTF-based pre-emphasis. Equivalent results are achieved with images acquired using GSTF-based post-correction of the trajectory as a part of image reconstruction. In contrast, the pre-emphasis approach allows reconstruction using the initially intended trajectory. The artifact suppression shown for two sequences demonstrates that the GSTF can serve for a novel pre-emphasis. A pre-emphasis based on the GSTF information can be applied to any arbitrary sequence type. © 2018 International Society for Magnetic Resonance in Medicine.

Density functional theory study of small X-doped Mg(n) (X = Fe, Co, Ni, n = 1-9) bimetallic clusters: equilibrium structures, stabilities, electronic and magnetic properties.

PubMed

Kong, Fanjie; Hu, Yanfei

2014-03-01

The geometries, stabilities, and electronic and magnetic properties of Mg(n) X (X = Fe, Co, Ni, n = 1-9) clusters were investigated systematically within the framework of the gradient-corrected density functional theory. The results show that the Mg(n)Fe, Mg(n)Co, and Mg(n)Ni clusters have similar geometric structures and that the X atom in Mg(n)X clusters prefers to be endohedrally doped. The average atomic binding energies, fragmentation energies, second-order differences in energy, and HOMO-LUMO gaps show that Mg₄X (X = Fe, Co, Ni) clusters possess relatively high stability. Natural population analysis was performed and the results showed that the 3s and 4s electrons always transfer to the 3d and 4p orbitals in the bonding atoms, and that electrons also transfer from the Mg atoms to the doped atoms (Fe, Co, Ni). In addition, the spin magnetic moments were analyzed and compared. Several clusters, such as Mg₁,₂,₃,₄,₅,₆,₈,₉Fe, Mg₁,₂,₄,₅,₆,₈,₉Co, and Mg₁,₂,₅,₆,₇,₉Ni, present high magnetic moments (4 μ(B), 3 μ(B), and 2 μ(B), respectively).

Simultaneously precise frequency transfer and time synchronization using feed-forward compensation technique via 120 km fiber link.

PubMed

Chen, Xing; Lu, Jinlong; Cui, Yifan; Zhang, Jian; Lu, Xing; Tian, Xusheng; Ci, Cheng; Liu, Bo; Wu, Hong; Tang, Tingsong; Shi, Kebin; Zhang, Zhigang

2015-12-22

Precision time synchronization between two remote sites is desired in many applications such as global positioning satellite systems, long-baseline interferometry, coherent radar detection and fundamental physics constant measurements. The recently developed frequency dissemination technologies based on optical fiber link have improved the transfer instability to the level of 10(-19)/day at remote location. Therefore it is possible to keep clock oscillation at remote locations continuously corrected, or to reproduce a "virtual" clock on the remote location. However the initial alignment and the correction of 1 pps timing signal from time to time are still required, besides the highly stabilized clock frequency transfer between distant locations. Here we demonstrate a time synchronization based on an ultra-stable frequency transfer system via 120-km commercial fiber link by transferring an optical frequency comb. Both the phase noise compensation in frequency dissemination and temporal basis alignment in time synchronization were implemented by a feed-forward digital compensation (FFDC) technique. The fractional frequency instability was measured to be 6.18 × 10(-20) at 2000 s. The timing deviation of time synchronization was measured to be 0.6 ps in 1500 s. This technique also can be applied in multi-node fiber network topology.

Simultaneously precise frequency transfer and time synchronization using feed-forward compensation technique via 120 km fiber link

PubMed Central

Chen, Xing; Lu, Jinlong; Cui, Yifan; Zhang, Jian; Lu, Xing; Tian, Xusheng; Ci, Cheng; Liu, Bo; Wu, Hong; Tang, Tingsong; Shi, Kebin; Zhang, Zhigang

2015-01-01

Precision time synchronization between two remote sites is desired in many applications such as global positioning satellite systems, long-baseline interferometry, coherent radar detection and fundamental physics constant measurements. The recently developed frequency dissemination technologies based on optical fiber link have improved the transfer instability to the level of 10−19/day at remote location. Therefore it is possible to keep clock oscillation at remote locations continuously corrected, or to reproduce a “virtual” clock on the remote location. However the initial alignment and the correction of 1 pps timing signal from time to time are still required, besides the highly stabilized clock frequency transfer between distant locations. Here we demonstrate a time synchronization based on an ultra-stable frequency transfer system via 120-km commercial fiber link by transferring an optical frequency comb. Both the phase noise compensation in frequency dissemination and temporal basis alignment in time synchronization were implemented by a feed-forward digital compensation (FFDC) technique. The fractional frequency instability was measured to be 6.18 × 10−20 at 2000 s. The timing deviation of time synchronization was measured to be 0.6 ps in 1500 s. This technique also can be applied in multi-node fiber network topology. PMID:26691731

Bioluminescence Risk Detection Aid

DTIC Science & Technology

2010-01-01

Delivery Vehicle, or diver) bioluminescence, based on local environmental data, in-situ measurements, and simple radiative transfer models. This work...vehicle diving to 5.5 m. Green = REMUS vehicle diving to 6.5 m. Observations were corrected for the angle of observation. IMPACT /APPLICATIONS...will sense vehicle-stimulated bioluminesce, measure local environmental conditions and ingest the information to solve a simple radiative transfer

An experimental procedure to determine heat transfer properties of turbochargers

NASA Astrophysics Data System (ADS)

Serrano, J. R.; Olmeda, P.; Páez, A.; Vidal, F.

2010-03-01

Heat transfer phenomena in turbochargers have been a subject of investigation due to their importance for the correct determination of compressor real work when modelling. The commonly stated condition of adiabaticity for turbochargers during normal operation of an engine has been revaluated because important deviations from adiabatic behaviour have been stated in many studies in this issue especially when the turbocharger is running at low rotational speeds/loads. The deviations mentioned do not permit us to assess properly the turbine and compressor efficiencies since the pure aerodynamic effects cannot be separated from the non-desired heat transfer due to the presence of both phenomena during turbocharger operation. The correction of the aforesaid facts is necessary to properly feed engine models with reliable information and in this way increase the quality of the results in any modelling process. The present work proposes a thermal characterization methodology successfully applied in a turbocharger for a passenger car which is based on the physics of the turbocharger. Its application helps to understand the thermal behaviour of the turbocharger, and the results obtained constitute vital information for future modelling efforts which involve the use of the information obtained from the proposed methodology. The conductance values obtained from the proposed methodology have been applied to correct a procedure for measuring the mechanical efficiency of the tested turbocharger.

Lentiviral gene transfer regenerates hematopoietic stem cells in a mouse model for Mpl-deficient aplastic anemia.

PubMed

Heckl, Dirk; Wicke, Daniel C; Brugman, Martijn H; Meyer, Johann; Schambach, Axel; Büsche, Guntram; Ballmaier, Matthias; Baum, Christopher; Modlich, Ute

2011-04-07

Thpo/Mpl signaling plays an important role in the maintenance of hematopoietic stem cells (HSCs) in addition to its role in megakaryopoiesis. Patients with inactivating mutations in Mpl develop thrombocytopenia and aplastic anemia because of progressive loss of HSCs. Yet, it is unknown whether this loss of HSCs is an irreversible process. In this study, we used the Mpl knockout (Mpl(-/-)) mouse model and expressed Mpl from newly developed lentiviral vectors specifically in the physiologic Mpl target populations, namely, HSCs and megakaryocytes. After validating lineage-specific expression in vivo using lentiviral eGFP reporter vectors, we performed bone marrow transplantation of transduced Mpl(-/-) bone marrow cells into Mpl(-/-) mice. We show that restoration of Mpl expression from transcriptionally targeted vectors prevents lethal adverse reactions of ectopic Mpl expression, replenishes the HSC pool, restores stem cell properties, and corrects platelet production. In some mice, megakaryocyte counts were atypically high, accompanied by bone neo-formation and marrow fibrosis. Gene-corrected Mpl(-/-) cells had increased long-term repopulating potential, with a marked increase in lineage(-)Sca1(+)cKit(+) cells and early progenitor populations in reconstituted mice. Transcriptome analysis of lineage(-)Sca1(+)cKit(+) cells in Mpl-corrected mice showed functional adjustment of genes involved in HSC self-renewal.

[Design and analysis of a novel light visible spectrum imaging spectrograph optical system].

PubMed

Shen, Man-de; Li, Fei; Zhou, Li-bing; Li, Cheng; Ren, Huan-huan; Jiang, Qing-xiu

2015-02-01

A novel visible spectrum imaging spectrograph optical system was proposed based on the negative dispersion, the arbitrary phase modulation characteristics of diffractive optical element and the aberration correction characteristics of freeform optical element. The double agglutination lens was substituted by a hybrid refractive/diffractive lens based on the negative dispersion of diffractive optical element. Two freeform optical elements were used in order to correct some aberration based on the aberration correction characteristics of freeform optical element. An example and frondose design process were presented. When the design parameters were uniform, compared with the traditional system, the novel visible spectrum imaging spectrograph optical system's weight was reduced by 22.9%, the total length was reduced by 26.6%, the maximal diameter was reduced by 30.6%, and the modulation transfer function (MTF) in 1.0 field-of-view was improved by 0.35 with field-of-view improved maximally. The maximal distortion was reduced by 1.6%, the maximal longitudinal aberration was reduced by 56.4%, and the lateral color aberration was reduced by 59. 3%. From these data, we know that the performance of the novel system was advanced quickly and it could be used to put forward a new idea for modern visible spectrum imaging spectrograph optical system design.

Correcting wave predictions with artificial neural networks

NASA Astrophysics Data System (ADS)

Makarynskyy, O.; Makarynska, D.

2003-04-01

The predictions of wind waves with different lead times are necessary in a large scope of coastal and open ocean activities. Numerical wave models, which usually provide this information, are based on deterministic equations that do not entirely account for the complexity and uncertainty of the wave generation and dissipation processes. An attempt to improve wave parameters short-term forecasts based on artificial neural networks is reported. In recent years, artificial neural networks have been used in a number of coastal engineering applications due to their ability to approximate the nonlinear mathematical behavior without a priori knowledge of interrelations among the elements within a system. The common multilayer feed-forward networks, with a nonlinear transfer functions in the hidden layers, were developed and employed to forecast the wave characteristics over one hour intervals starting from one up to 24 hours, and to correct these predictions. Three non-overlapping data sets of wave characteristics, both from a buoy, moored roughly 60 miles west of the Aran Islands, west coast of Ireland, were used to train and validate the neural nets involved. The networks were trained with error back propagation algorithm. Time series plots and scatterplots of the wave characteristics as well as tables with statistics show an improvement of the results achieved due to the correction procedure employed.

Chloroplast genes transferred to the nuclear plant genome have adjusted to nuclear base composition and codon usage.

PubMed Central

Oliver, J L; Marín, A; Martínez-Zapater, J M

1990-01-01

During plant evolution, some plastid genes have been moved to the nuclear genome. These transferred genes are now correctly expressed in the nucleus, their products being transported into the chloroplast. We compared the base compositions, the distributions of some dinucleotides and codon usages of transferred, nuclear and chloroplast genes in two dicots and two monocots plant species. Our results indicate that transferred genes have adjusted to nuclear base composition and codon usage, being now more similar to the nuclear genes than to the chloroplast ones in every species analyzed. PMID:2308837

Theory and computation of optimal low- and medium-thrust transfers

NASA Technical Reports Server (NTRS)

Chuang, C.-H.

1994-01-01

This report describes the current state of development of methods for calculating optimal orbital transfers with large numbers of burns. Reported on first is the homotopy-motivated and so-called direction correction method. So far this method has been partially tested with one solver; the final step has yet to be implemented. Second is the patched transfer method. This method is rooted in some simplifying approximations made on the original optimal control problem. The transfer is broken up into single-burn segments, each single-burn solved as a predictor step and the whole problem then solved with a corrector step.

The Witness-Voting System

NASA Astrophysics Data System (ADS)

Gerck, Ed

We present a new, comprehensive framework to qualitatively improve election outcome trustworthiness, where voting is modeled as an information transfer process. Although voting is deterministic (all ballots are counted), information is treated stochastically using Information Theory. Error considerations, including faults, attacks, and threats by adversaries, are explicitly included. The influence of errors may be corrected to achieve an election outcome error as close to zero as desired (error-free), with a provably optimal design that is applicable to any type of voting, with or without ballots. Sixteen voting system requirements, including functional, performance, environmental and non-functional considerations, are derived and rated, meeting or exceeding current public-election requirements. The voter and the vote are unlinkable (secret ballot) although each is identifiable. The Witness-Voting System (Gerck, 2001) is extended as a conforming implementation of the provably optimal design that is error-free, transparent, simple, scalable, robust, receipt-free, universally-verifiable, 100% voter-verified, and end-to-end audited.

Development of medical electronic devices in the APL space department

NASA Technical Reports Server (NTRS)

Newman, A. L.

1985-01-01

Several electronic devices for automatically correcting specific defects in a body's physiologic regulation and allowing approximately normal functioning are described. A self-injurious behavior inhibiting system (SIBIS) is fastened to the arm of a person with chronic self-injurious behavior patterns. An electric shock is delivered into the arm whenever the device senses above-threshold acceleration of the head such as occur with head-bangers. Sounding a buzzer tone with the shock eventually allows transference of the aversive stimulus to the buzzer so shocks are no longer necessary. A programmable implantable medication system features a solenoid pump placed beneath the skin and refueled by hypodermic needle. The pump functions are programmable and can deliver insulin, chemotherapy mixes and/or pain killers according to a preset schedule or on patient demand. Finally, an automatic implantible defibrillator has four electrodes attached directly to the heart for sensing electrical impulses or emitting them in response to cardiac fibrillation.

A binary-decision-diagram-based two-bit arithmetic logic unit on a GaAs-based regular nanowire network with hexagonal topology.

PubMed

Zhao, Hong-Quan; Kasai, Seiya; Shiratori, Yuta; Hashizume, Tamotsu

2009-06-17

A two-bit arithmetic logic unit (ALU) was successfully fabricated on a GaAs-based regular nanowire network with hexagonal topology. This fundamental building block of central processing units can be implemented on a regular nanowire network structure with simple circuit architecture based on graphical representation of logic functions using a binary decision diagram and topology control of the graph. The four-instruction ALU was designed by integrating subgraphs representing each instruction, and the circuitry was implemented by transferring the logical graph structure to a GaAs-based nanowire network formed by electron beam lithography and wet chemical etching. A path switching function was implemented in nodes by Schottky wrap gate control of nanowires. The fabricated circuit integrating 32 node devices exhibits the correct output waveforms at room temperature allowing for threshold voltage variation.

Experimental and computational study of electronic, electrochemical and thermal properties of quinoline phosphate

NASA Astrophysics Data System (ADS)

Ben Issa, Takoua; Ben Ali Hassine, Chedia; Ghalla, Houcine; Barhoumi, Houcine; Benhamada, Latifa

2018-06-01

In this work, the electronic behavior, charge transfer, non linear optical (NLO) properties, and thermal stability of the quinoline phosphate (QP) have been investigated. The experimental UV-Vis spectrum has been recorded in the range of 200-800 nm. Additionally, the absorption spectrum was reproduced by time-dependent density functional theory (TD-DFT) method with B3LYP functional and with empirical dispersion corrections D3BJ in combination with the 6-311+G(d,p) basis set. The electronic properties such as HOMO-LUMO energy gap and chemical reactivity have been calculated. The electrochemical characterization of the title compound is investigated using cyclic voltammetry and impedance spectroscopy methods. Finally, the thermal stability of the QP is discussed in term of differential scanning calorimetry (DSC) measurement, which showed that QP compound is thermally stable up to 150 °C.

Collision dynamics of H+ + N2 at low energies based on time-dependent density-functional theory

NASA Astrophysics Data System (ADS)

Yu, W.; Zhang, Y.; Zhang, F. S.; Hutton, R.; Zou, Y.; Gao, C.-Z.; Wei, B.

2018-02-01

Using time-dependent density-functional theory at the level of local density approximation augmented by a self-interaction correction and coupled non-adiabatically to molecular dynamics, we study, from a theoretical perspective, scattering dynamics of the proton in collisions with the N2 molecule at 30 eV. Nine different collision configurations are employed to analyze the proton energy loss spectra, electron depletion, scattering angles and self-interaction effects. Our results agree qualitatively with the experimental data and previous theoretical calculations. The discrepancies are ascribed to the limitation of the theoretical models in use. We find that self-interaction effects can significantly influence the electron capture and the excited diatomic vibrational motion, which is in consistent with other calculations. In addition, it is found that the molecular structure can be readily retrieved from the proton energy loss spectra due to a significant momentum transfer in head-on collisions.

Decoupling indirect topographic cross-talk in band excitation piezoresponse force microscopy imaging and spectroscopy

DOE PAGES

Mazet, Lucie; Jesse, Stephen; Niu, Gang; ...

2016-06-20

Here, all scanning probe microscopies are subjected to topographic cross-talk, meaning the topography-related contrast in functional images. Here, we investigate the signatures of indirect topographic cross-talk in piezoresponse force microscopy (PFM) imaging and spectroscopy and its decoupling using band excitation (BE) method in ferroelectric BaTiO 3 deposited on the Si substrates with free standing nanopillars of diameter 50 nm. Comparison between the single-frequency PFM and BE-PFM results shows that the measured signal can be significantly distorted by topography-induced shifts in the contact resonance frequency and cantilever transfer function. However, with proper correction, such shifts do not affect PFM imaging andmore » hysteresis loop measurements. This suggests the necessity of an advanced approach, such as BE-PFM, for detection of intrinsic sample piezoresponse on the topographically non-uniform surfaces.« less

Reactions of guanine with methyl chloride and methyl bromide: O6-methylation versus charge transfer complex formation

NASA Astrophysics Data System (ADS)

Shukla, P. K.; Mishra, P. C.; Suhai, S.

Density functional theory (DFT) at the B3LYP/6-31+G* and B3LYP/AUG-cc-pVDZ levels was employed to study O6-methylation of guanine due to its reactions with methyl chloride and methyl bromide and to obtain explanation as to why the methyl halides cause genotoxicity and possess mutagenic and carcinogenic properties. Geometries of the various isolated species involved in the reactions, reactant complexes (RCs), and product complexes (PCs) were optimized in gas phase. Transition states connecting the reactant complexes with the product complexes were also optimized in gas phase at the same levels of theory. The reactant complexes, product complexes, and transition states were solvated in aqueous media using the polarizable continuum model (PCM) of the self-consistent reaction field theory. Zero-point energy (ZPE) correction to total energy and the corresponding thermal energy correction to enthalpy were made in each case. The reactant complexes of the keto form of guanine with methyl chloride and methyl bromide in water are appreciably more stable than the corresponding complexes involving the enol form of guanine. The nature of binding in the product complexes was found to be of the charge transfer type (O6mG+ · X-, X dbond Cl, Br). Binding of HCl, HBr, and H2O molecules to the PCs obtained with the keto form of guanine did not alter the positions of the halide anions in the PCs, and the charge transfer character of the PCs was also not modified due to this binding. Further, the complexes obtained due to the binding of HCl, HBr, and H2O molecules to the PCs had greater stability than the isolated PCs. The reaction barriers involved in the formation of PCs were found to be quite high (?50 kcal/mol). Mechanisms of genotoxicity, mutagenesis and carcinogenesis caused by the methyl halides appear to involve charge transfer-type complex formation. Thus the mechanisms of these processes involving the methyl halides appear to be quite different from those that involve the other strongly carcinogenic methylating agents.

Testate amoeba transfer function performance along localised hydrological gradients.

PubMed

Tsyganov, Andrey N; Mityaeva, Olga A; Mazei, Yuri A; Payne, Richard J

2016-09-01

Testate amoeba transfer functions are widely used for reconstruction of palaeo-hydrological regime in peatlands. However, the limitations of this approach have become apparent with increasing attention to validation and assessing sources of uncertainty. This paper investigates effects of peatland type and sampling depth on the performance of a transfer function using an independent test-set from four Sphagnum-dominated sites in European Russia (Penza Region). We focus on transfer function performance along localised hydrological gradients, which is a useful analogue for predictive ability through time. The performance of the transfer function with the independent test-set was generally weaker than for the leave-one-out or bootstrap cross-validations. However, the transfer function was robust for the reconstruction of relative changes in water-table depth, provided the presence of good modern analogues and overlap in water-table depth ranges. When applied to subsurface samples, the performance of the transfer function was reduced due to selective decomposition, the presence of deep-dwelling taxa or vertical transfer of shells. Our results stress the importance of thorough testing of transfer functions, and highlight the role of taphonomic processes in determining results. Further studies of stratification, taxonomy and taphonomy of testate amoebae will be needed to improve the robustness of transfer function output. Copyright © 2015 Elsevier GmbH. All rights reserved.

Transfer function characteristics of super resolving systems

NASA Technical Reports Server (NTRS)

Milster, Tom D.; Curtis, Craig H.

1992-01-01

Signal quality in an optical storage device greatly depends on the optical system transfer function used to write and read data patterns. The problem is similar to analysis of scanning optical microscopes. Hopkins and Braat have analyzed write-once-read-many (WORM) optical data storage devices. Herein, transfer function analysis of magnetooptic (MO) data storage devices is discussed with respect to improving transfer-function characteristics. Several authors have described improving the transfer function as super resolution. However, none have thoroughly analyzed the MO optical system and effects of the medium. Both the optical system transfer function and effects of the medium of this development are discussed.

Design of a One-Dimensional Sextupole Using Semi-Analytic Methods

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

Gupta, L.; Nagaitsev, S.; Baturin, S. S.

Sextupole magnets provide position-dependent momentum kicks and are tuned to provide the correct kicks to parti- cles within a small acceptance region in phase space. Sextupoles are useful and even necessary in circular accelerators for chromaticity corrections. They are routinely used in most rings, i.e. CESR. Although sextupole magnets are necessary for particle energy corrections, they also have undesirable effects on dynamic aperture, especially because of their non- linear coupling term in the momentum kick. Studies of integrable systems suggest that there is an analytic way to create transport lattices with specific transfer matrices that limit the momentum kick tomore » one dimension. A one-dimension sex- tupole is needed for chromaticity corrections: a horizontal sextupole for horizontal bending magnets. We know how to make a “composite” horizontal sextupole using regular 2D sextupoles and linear transfer matrices in an ideal thin-lens approximation. Thus, one could create an accelerator lattice using linear elements, in series with sextupole magnets to create a “1D sextupole”. This paper describes progress to- wards realizing a realistic focusing lattice resulting in a 1D sextupole.« less

Preclinical Corrective Gene Transfer in Xeroderma Pigmentosum Human Skin Stem Cells

PubMed Central

Warrick, Emilie; Garcia, Marta; Chagnoleau, Corinne; Chevallier, Odile; Bergoglio, Valérie; Sartori, Daniela; Mavilio, Fulvio; Angulo, Jaime F; Avril, Marie-Françoise; Sarasin, Alain; Larcher, Fernando; Del Rio, Marcela; Bernerd, Françoise; Magnaldo, Thierry

2012-01-01

Xeroderma pigmentosum (XP) is a devastating disease associated with dramatic skin cancer proneness. XP cells are deficient in nucleotide excision repair (NER) of bulky DNA adducts including ultraviolet (UV)-induced mutagenic lesions. Approaches of corrective gene transfer in NER-deficient keratinocyte stem cells hold great hope for the long-term treatment of XP patients. To face this challenge, we developed a retrovirus-based strategy to safely transduce the wild-type XPC gene into clonogenic human primary XP-C keratinocytes. De novo expression of XPC was maintained in both mass population and derived independent candidate stem cells (holoclones) after more than 130 population doublings (PD) in culture upon serial propagation (>1040 cells). Analyses of retrovirus integration sequences in isolated keratinocyte stem cells suggested the absence of adverse effects such as oncogenic activation or clonal expansion. Furthermore, corrected XP-C keratinocytes exhibited full NER capacity as well as normal features of epidermal differentiation in both organotypic skin cultures and in a preclinical murine model of human skin regeneration in vivo. The achievement of a long-term genetic correction of XP-C epidermal stem cells constitutes the first preclinical model of ex vivo gene therapy for XP-C patients. PMID:22068429

Function Transfer in Human Operant Experiments: The Role of Stimulus Pairings

ERIC Educational Resources Information Center

Tonneau, Francois; Gonzalez, Carmen

2004-01-01

Although function transfer often has been studied in complex operant procedures (such as matching to sample), whether operant reinforcement actually produces function transfer in such settings has not been established. The present experiments, with high school students as subjects, suggest that stimulus pairings can promote function transfer in…

Smart photodetector arrays for error control in page-oriented optical memory

NASA Astrophysics Data System (ADS)

Schaffer, Maureen Elizabeth

1998-12-01

Page-oriented optical memories (POMs) have been proposed to meet high speed, high capacity storage requirements for input/output intensive computer applications. This technology offers the capability for storage and retrieval of optical data in two-dimensional pages resulting in high throughput data rates. Since currently measured raw bit error rates for these systems fall several orders of magnitude short of industry requirements for binary data storage, powerful error control codes must be adopted. These codes must be designed to take advantage of the two-dimensional memory output. In addition, POMs require an optoelectronic interface to transfer the optical data pages to one or more electronic host systems. Conventional charge coupled device (CCD) arrays can receive optical data in parallel, but the relatively slow serial electronic output of these devices creates a system bottleneck thereby eliminating the POM advantage of high transfer rates. Also, CCD arrays are "unintelligent" interfaces in that they offer little data processing capabilities. The optical data page can be received by two-dimensional arrays of "smart" photo-detector elements that replace conventional CCD arrays. These smart photodetector arrays (SPAs) can perform fast parallel data decoding and error control, thereby providing an efficient optoelectronic interface between the memory and the electronic computer. This approach optimizes the computer memory system by combining the massive parallelism and high speed of optics with the diverse functionality, low cost, and local interconnection efficiency of electronics. In this dissertation we examine the design of smart photodetector arrays for use as the optoelectronic interface for page-oriented optical memory. We review options and technologies for SPA fabrication, develop SPA requirements, and determine SPA scalability constraints with respect to pixel complexity, electrical power dissipation, and optical power limits. Next, we examine data modulation and error correction coding for the purpose of error control in the POM system. These techniques are adapted, where possible, for 2D data and evaluated as to their suitability for a SPA implementation in terms of BER, code rate, decoder time and pixel complexity. Our analysis shows that differential data modulation combined with relatively simple block codes known as array codes provide a powerful means to achieve the desired data transfer rates while reducing error rates to industry requirements. Finally, we demonstrate the first smart photodetector array designed to perform parallel error correction on an entire page of data and satisfy the sustained data rates of page-oriented optical memories. Our implementation integrates a monolithic PN photodiode array and differential input receiver for optoelectronic signal conversion with a cluster error correction code using 0.35-mum CMOS. This approach provides high sensitivity, low electrical power dissipation, and fast parallel correction of 2 x 2-bit cluster errors in an 8 x 8 bit code block to achieve corrected output data rates scalable to 102 Gbps in the current technology increasing to 1.88 Tbps in 0.1-mum CMOS.

A comparison between using incoherent or coherent sources to align and test an adaptive optical telescope

NASA Technical Reports Server (NTRS)

Anderson, Richard

1994-01-01

The concept in the initial alignment of the segmented mirror adaptive optics telescope called the phased array mirror extendable large aperture telescope (Pamela) is to produce an optical transfer function (OTF) which closely approximates the diffraction limited value which would correspond to a system pupil function that is unity over the aperture and zero outside. There are differences in the theory of intensity measurements between coherent and incoherent radiation. As a result, some of the classical quantities which describe the performance of an optical system for incoherent radiation can not be defined for a coherent field. The most important quantity describing the quality of an optical system is the OTF and for a coherent source the OTF is not defined. Instead a coherent transfer function (CTF) is defined. The main conclusion of the paper is that an incoherent collimated source and not a collimated laser source is preferred to calibrate the Hartmann wavefront sensor (WFS) of an aligned adaptive optical system. A distant laser source can be used with minimum problems to correct the system for atmospheric turbulence. The collimation of the HeNe laser alignment source can be improved by using a very small pin hole in the spatial filter so only the central portion of the beam is transmitted and the beam from the filter is nearly constant in amplitude. The size of this pin hole will be limited by the sensitivity of the lateral effect diode (LEDD) elements.

Reexamining the heavy-ion reactions 238U+238U and 238U+248Cm and actinide production close to the barrier

NASA Astrophysics Data System (ADS)

Kratz, J. V.; Schädel, M.; Gäggeler, H. W.

2013-11-01

Recent theoretical work has renewed interest in radiochemically determined isotope distributions in reactions of 238U projectiles with heavy targets that had previously been published only in parts. These data are being reexamined. The cross sections σ(Z) below the uranium target have been determined as a function of incident energy in thick-target bombardments. These are compared to predictions by a diffusion model whereby consistency with the experimental data is found in the energy intervals 7.65-8.30 MeV/u and 6.06-7.50 MeV/u. In the energy interval 6.06-6.49 MeV/u, the experimental data are lower by a factor of 5 compared to the diffusion model prediction indicating a threshold behavior for massive charge and mass transfer close to the barrier. For the intermediate energy interval, the missing mass between the primary fragment masses deduced from the generalized Qgg systematics including neutron pair-breaking corrections and the centroid of the experimental isotope distributions as a function of Z have been used to determine the average excitation energy as a function of Z. From this, the Z dependence of the average total kinetic-energy loss (TKEL¯) has been determined. This is compared to that measured in a thin-target counter experiment at 7.42 MeV/u. For small charge transfers, the values of TKEL¯ of this work are typically about 30 MeV lower than in the thin-target experiment. This difference is decreasing with increasing charge transfer developing into even slightly larger values in the thick-target experiment for the largest charge transfers. This is the expected behavior which is also found in a comparison of the partial cross sections for quasielastic and deep-inelastic reactions in both experiments. The cross sections for surviving heavy actinides, e.g., 98Cf, 99Es, and 100Fm indicate that these are produced in the low-energy tails of the dissipated energy distributions, however, with a low-energy cutoff at about 35 MeV. Excitation functions show that identical isotope distributions are populated independent of the bombarding energy indicating that the same bins of excitation energy are responsible for the production of these fissile isotopes. A comparison of the survival probabilities of the residues of equal charge and neutron transfers in the reactions of 238U projectiles with either 238U or 248Cm targets is consistent with such a cutoff as evaporation calculations assign the surviving heavy actinides to the 3n and/or 4n evaporation channels.

Correlation of shoulder range of motion limitations at discharge with limitations in activities and participation one year later in persons with spinal cord injury.

PubMed

Eriks-Hoogland, Inge E; de Groot, Sonja; Post, Marcel W M; van der Woude, Lucas H V

2011-02-01

To study the correlation between limited shoulder range of motion in persons with spinal cord injury at discharge and the performance of activities, wheeling performance, transfers and participation one year later. Multicentre prospective cohort study. A total of 146 newly injured subjects with spinal cord injury. Shoulder range of motion was measured at discharge. One year later, Functional Independence Measure (FIM), transfer ability, wheelchair circuit and Physical Activity Scale for Individuals with Physical Disabilities (PASIPD) were assessed. Corrections were made for possible confounding factors (age, gender, level and completeness of injury, time since injury and shoulder pain). All subjects with limited shoulder range of motion at discharge had a lower FIM motor score and were less likely (total group 5 times, and subjects with tetraplegia 10 times less likely) to be able to perform an independent transfer one year later. Subjects with limited shoulder range of motion in the total group needed more time to complete the wheelchair circuit. No significant associations with the PASIPD were found in either group. Persons with spinal cord injury and limited shoulder range of motion at discharge are more limited in their activities one year later than those without limited shoulder range of motion.

Development of soft-sphere contact models for thermal heat conduction in granular flows

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

Morris, A. B.; Pannala, S.; Ma, Z.

2016-06-08

Conductive heat transfer to flowing particles occurs when two particles (or a particle and wall) come into contact. The direct conduction between the two bodies depends on the collision dynamics, namely the size of the contact area and the duration of contact. For soft-sphere discrete-particle simulations, it is computationally expensive to resolve the true collision time because doing so would require a restrictively small numerical time step. To improve the computational speed, it is common to increase the 'softness' of the material to artificially increase the collision time, but doing so affects the heat transfer. In this work, two physically-basedmore » correction terms are derived to compensate for the increased contact area and time stemming from artificial particle softening. By including both correction terms, the impact that artificial softening has on the conductive heat transfer is removed, thus enabling simulations at greatly reduced computational times without sacrificing physical accuracy.« less

Coordinate tropic hormone regulation of mRNAs for insulin-like growth factor II and the cholesterol side-chain-cleavage enzyme, P450scc [corrected], in human steroidogenic tissues.

PubMed Central

Voutilainen, R; Miller, W L

1987-01-01

Insulin-like growth factors (IGFs) are single-chain polypeptides important for cell proliferation and growth. IGFs are produced in several tissues, suggesting that they function in a paracrine or autocrine fashion as well as functioning as endocrine hormones. We studied the hormonal regulation of IGF-I and IGF-II mRNA in human steroidogenic tissues. In cultured human ovarian granulosa cells, follicle-stimulating hormone, human chorionic gonadotropin, and dibutyryl cAMP increased IGF-II mRNA, but corticotropin [adrenocorticotropic hormone (ACTH)], chorionic somatomammotropin, growth hormone, prolactin, dexamethasone, estradiol, and progesterone had no effect. In cultured human fetal adrenal cells, ACTH and dibutyryl cAMP increased IGF-II mRNA accumulation, but human chorionic gonadotropin and angiotensin II did not. The same five size species of IGF-II mRNA were detected in transfer blots of RNA from granulosa cells and fetal adrenal cells, and all of these increased after hormonal stimuli. Dibutyryl cAMP also increased IGF-II mRNA accumulation in cultured human placental cells. Accumulation of mRNA for the cholesterol side-chain-cleavage monooxygenase [P450scc [corrected]; cholesterol, reduced-adrenal-ferredoxin:oxygen oxidoreductase (side-chain-cleaving), EC 1.14.15.6] was regulated in parallel with IGF-II mRNA in all these steroidogenic tissues. IGF-I mRNA was not detected in transfer blots of these RNAs, and the minimal amounts detected in dot blots showed no detectable change after any of the hormonal stimuli studied. The data indicate that the IGF-II gene is expressed in human steroidogenic tissues and is regulated by cAMP. These data suggest that IGF-II may act in an autocrine or paracrine fashion to stimulate the adrenal and gonadal growth stimulated by ACTH and gonadotropins, respectively. Images PMID:3031644

28 CFR 551.151 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... personal violence, attempted or threatened personal violence or significant property loss. (d) For purpose..., transfer to a community corrections center, mandatory release, expiration of sentence, escape (including...

28 CFR 551.151 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... personal violence, attempted or threatened personal violence or significant property loss. (d) For purpose..., transfer to a community corrections center, mandatory release, expiration of sentence, escape (including...

Charge transfer efficiency in HST WFC3/UVIS: monitoring and mitigation

NASA Astrophysics Data System (ADS)

Baggett, Sylvia M.; Anderson, Jay; Sosey, Megan L.; Bourque, Matthew; Martlin, Catherine; Kurtz, Heather; Shanahan, Clare; Kozhurina-Platais, Vera; Sabbi, Elena; WFC3 Team

2017-01-01

The UVIS channel of the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST) contains a 4096x4096 pixel e2v CCD array. The detectors have been performing well on-orbit but as expected, are exhibiting the cumulative effects of radiation damage. The result is a growing hot pixel population and declining charge transfer efficiency. We summarize the progression of the CTE losses, their effects on science data, and discuss two of the primary mitigation options: post-flash and a pixel-based CTE correction. The latter is now part of the automated WFC3 calibration pipeline in the Mikulski Archive for Space Telescopes (MAST), providing observers with both standard and CTE-corrected data products.

Patient Safety: Moving the Bar in Prison Health Care Standards

PubMed Central

Greifinger, Robert B.; Mellow, Jeff

2010-01-01

Improvements in community health care quality through error reduction have been slow to transfer to correctional settings. We convened a panel of correctional experts, which recommended 60 patient safety standards focusing on such issues as creating safety cultures at organizational, supervisory, and staff levels through changes to policy and training and by ensuring staff competency, reducing medication errors, encouraging the seamless transfer of information between and within practice settings, and developing mechanisms to detect errors or near misses and to shift the emphasis from blaming staff to fixing systems. To our knowledge, this is the first published set of standards focusing on patient safety in prisons, adapted from the emerging literature on quality improvement in the community. PMID:20864714

Development of a correction factor for Xe-133 vials for use with a dose calibrator

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

Gels, G.L.; Piltingsrud, H.V.

1982-04-01

Manufacturers of dose calibrators who give calibration settings for various radionuclies sometimes do not specify the type of radionuclide container the calibration is for. The container, moreover, may not be of the same type as those a user might purchase. When these factors are not considered, the activity administered to the patient may be significantly different from that intended. An experiment is described in which calibration factors are determined for measurement of Xe-133 activity in vials in a dose calibrator. This was accomplished by transferring the Xe-133 from the commercial vials to standard NBS calibration ampules. Based on ten suchmore » transfers, the resulting correction factor for the dose calibrator was 1.22.« less

Factors influencing behavior and transferability of habitat models for a benthic stream fish

Treesearch

Kevin N. Leftwich; Paul L. Angermeier; C. Andrew Dolloff

1997-01-01

The authors examined the predictive power and transferability of habitat-based models by comparing associations of tangerine darter Percina aurantiaca and stream habitat at local and regional scales in North Fork Holston River (NFHR) and Little River, VA. The models correctly predicted the presence or absence of tangerine darters in NFHR for 64 percent (local model)...

Understanding the Mind or Predicting Signal-Dependent Action? Performance of Children with and without Autism on Analogues of the False-Belief Task

ERIC Educational Resources Information Center

Bowler, Dermot M.; Briskman, Jackie; Gurvidi, Nicole; Fornells-Ambrojo, Miriam

2005-01-01

To evaluate the claim that correct performance on unexpected transfer false-belief tasks specifically involves mental-state understanding, two experiments were carried out with children with autism, intellectual disabilities, and typical development. In both experiments, children were given a standard unexpected transfer false-belief task and a…

The Stability of GPS Carrier-Phase Receivers

DTIC Science & Technology

2010-11-01

Frequency Transfer ( TWSTFT ) method [2]. For both CP and TWSTFT , accuracy in time transfer is achieved through special calibration efforts that retain...View (CV) receivers and TWSTFT equipment. Many of these geodetic receivers operate continuously within the International GNSS Service (IGS), and...with TWSTFT , GPS CV, and GPS P3. If ionosphere-free measurements are used in combination with nominally compensated tropospheric corrections, a

78 FR 36149 - Magnuson-Stevens Act Provisions; Implementation of the Shark Conservation Act of 2010; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-17

..., transferring or receiving fins from one vessel to another at sea unless the fins are naturally attached to the..., to provide additional time for various stakeholders and other members of the public to submit..., transferring or receiving fins from one vessel to another at sea unless the fins are naturally attached to the...

Symbolic Regression for the Estimation of Transfer Functions of Hydrological Models

NASA Astrophysics Data System (ADS)

Klotz, D.; Herrnegger, M.; Schulz, K.

2017-11-01

Current concepts for parameter regionalization of spatially distributed rainfall-runoff models rely on the a priori definition of transfer functions that globally map land surface characteristics (such as soil texture, land use, and digital elevation) into the model parameter space. However, these transfer functions are often chosen ad hoc or derived from small-scale experiments. This study proposes and tests an approach for inferring the structure and parametrization of possible transfer functions from runoff data to potentially circumvent these difficulties. The concept uses context-free grammars to generate possible proposition for transfer functions. The resulting structure can then be parametrized with classical optimization techniques. Several virtual experiments are performed to examine the potential for an appropriate estimation of transfer function, all of them using a very simple conceptual rainfall-runoff model with data from the Austrian Mur catchment. The results suggest that a priori defined transfer functions are in general well identifiable by the method. However, the deduction process might be inhibited, e.g., by noise in the runoff observation data, often leading to transfer function estimates of lower structural complexity.

First-and Second-Order Displacement Transfer Functions for Structural Shape Calculations Using Analytically Predicted Surface Strains

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2012-01-01

New first- and second-order displacement transfer functions have been developed for deformed shape calculations of nonuniform cross-sectional beam structures such as aircraft wings. The displacement transfer functions are expressed explicitly in terms of beam geometrical parameters and surface strains (uniaxial bending strains) obtained at equally spaced strain stations along the surface of the beam structure. By inputting the measured or analytically calculated surface strains into the displacement transfer functions, one could calculate local slopes, deflections, and cross-sectional twist angles of the nonuniform beam structure for mapping the overall structural deformed shapes for visual display. The accuracy of deformed shape calculations by the first- and second-order displacement transfer functions are determined by comparing these values to the analytically predicted values obtained from finite element analyses. This comparison shows that the new displacement transfer functions could quite accurately calculate the deformed shapes of tapered cantilever tubular beams with different tapered angles. The accuracy of the present displacement transfer functions also are compared to those of the previously developed displacement transfer functions.

Strategic Functionalization of Single Walled Carbon Nanotubes to Manipulate Their Electronic and Optical Properties

NASA Astrophysics Data System (ADS)

Gifford, Brendan Joel

Single-walled carbon nanotubes (SWCNTs) are unique materials that exhibit chirality-specific properties due to their one-dimensional confinement. As a result, they are explored for a wide range of applications including single-photon sources in communications devices. Despite progress in this area, SWCNTs still suffer from a relatively narrow range of energies of emission features that fall short of the 1500 nm desired for long-distance lossless data transfer. One approach that is frequently used to resolve this involves chemical functionalization with aryl groups. However, this approach is met with a number of fundamental issues. First, chirality-specific SWCNTs must be acquired for subsequent functionalization. Synthesis of such samples has thus far eluded experimental efforts. As such, post-synthetic non-covalent functionalization is required to break bundles and create disperse SWCNTs that can undergo further separation, processing, and functionalization. Second, a number of low-energy emission features are introduced upon functionalization across a 200 nm range. The origin of such diverse emission features remains unknown. The research presented here focuses on computationally addressing these issues. A series of polyfluorene polymers possessing sidechains of varying length are explored using molecular mechanics to determine the impact of alkyl sidechains on SWCNT-conjugated polymer interaction strength and morphology. Additionally, density functional theory (DFT) and linear-response time-dependent DFT (TDDFT) are used to explore the effect of functionalization on emission features. A prerequisite to these calculations involves constructing finite-length SWCNT systems with similar electronic structure to their infinite counterparts: a methodological approach for the formation of such systems is presented. The optical features for aryl-functionalized SWCNTs are then explored. It is shown that the predominant effect on the energies of emission features involves the configuration of functionalization, with the identity of the functional group only playing a minor role. While the qualitative effect of such functionalization is determined, a quantitative comparison to experiment requires correction for several sources of computational error. A model to correct for such effects is also developed. This research not only explains the origin of the multiple emission features in functionalized SWCNTs for the first time but also lays the groundwork for their further computational exploration.

[Distal osteotomy for the treatment of hallux valgus (Chevron osteotomy)].

PubMed

Stukenborg-Colsman, C; Claaßen, L; Ettinger, S; Yao, D; Lerch, M; Plaaß, C

2017-05-01

Distal osteotomies, like the Chevron osteotomy, is indicated for mild to moderate hallux valgus deformities. Splayfoot, painful pseudoexostosis, and transfer metatasalgia are observed in the clinical examination. Radiographic examination should be done with weight bearing in two planes. Preoperatively the intermetatarsal (IM), hallux valgus, and distal metatarsal articular (DMAA) angles should be measured. The operative technique is based on soft tissue and bony correction. Modifications of the osteotomy allow a shortening, lengthening, or neutral correction of the first metatarsal. With a modified Chevron osteotomy, an increased DMAA can be also corrected.

Correction: Correction to 'Clinical Policy: Critical Issues in the Evaluation of Adult Patients With Suspected Transient Ischemic Attack in the Emergency Department' [Annals of Emergency Medicine 68 (2016) 354-370.e29].

PubMed

Lo, Bruce M; Carpenter, Christopher R; Hatten, Benjamin W; Wright, Brian J; Brown, Michael D

2017-11-01

Due to a miscommunication during the process of transferring this manuscript from our editorial team to Production, the Members of the American College of Emergency Physicians Clinical Policies Committee (Oversight Committee) were not properly indexed in PubMed. This has now been corrected online. The publisher would like to apologize for any inconvenience caused. Copyright © 2017 American College of Emergency Physicians. Published by Elsevier Inc. All rights reserved.

Nonparametric Transfer Function Models

PubMed Central

Liu, Jun M.; Chen, Rong; Yao, Qiwei

2009-01-01

In this paper a class of nonparametric transfer function models is proposed to model nonlinear relationships between ‘input’ and ‘output’ time series. The transfer function is smooth with unknown functional forms, and the noise is assumed to be a stationary autoregressive-moving average (ARMA) process. The nonparametric transfer function is estimated jointly with the ARMA parameters. By modeling the correlation in the noise, the transfer function can be estimated more efficiently. The parsimonious ARMA structure improves the estimation efficiency in finite samples. The asymptotic properties of the estimators are investigated. The finite-sample properties are illustrated through simulations and one empirical example. PMID:20628584

Scatter correction using a primary modulator on a clinical angiography C-arm CT system.

PubMed

Bier, Bastian; Berger, Martin; Maier, Andreas; Kachelrieß, Marc; Ritschl, Ludwig; Müller, Kerstin; Choi, Jang-Hwan; Fahrig, Rebecca

2017-09-01

Cone beam computed tomography (CBCT) suffers from a large amount of scatter, resulting in severe scatter artifacts in the reconstructions. Recently, a new scatter correction approach, called improved primary modulator scatter estimation (iPMSE), was introduced. That approach utilizes a primary modulator that is inserted between the X-ray source and the object. This modulation enables estimation of the scatter in the projection domain by optimizing an objective function with respect to the scatter estimate. Up to now the approach has not been implemented on a clinical angiography C-arm CT system. In our work, the iPMSE method is transferred to a clinical C-arm CBCT. Additional processing steps are added in order to compensate for the C-arm scanner motion and the automatic X-ray tube current modulation. These challenges were overcome by establishing a reference modulator database and a block-matching algorithm. Experiments with phantom and experimental in vivo data were performed to evaluate the method. We show that scatter correction using primary modulation is possible on a clinical C-arm CBCT. Scatter artifacts in the reconstructions are reduced with the newly extended method. Compared to a scan with a narrow collimation, our approach showed superior results with an improvement of the contrast and the contrast-to-noise ratio for the phantom experiments. In vivo data are evaluated by comparing the results with a scan with a narrow collimation and with a constant scatter correction approach. Scatter correction using primary modulation is possible on a clinical CBCT by compensating for the scanner motion and the tube current modulation. Scatter artifacts could be reduced in the reconstructions of phantom scans and in experimental in vivo data. © 2017 American Association of Physicists in Medicine.

A Physically Based Algorithm for Non-Blackbody Correction of Cloud-Top Temperature and Application to Convection Study

NASA Technical Reports Server (NTRS)

Wang, Chunpeng; Lou, Zhengzhao Johnny; Chen, Xiuhong; Zeng, Xiping; Tao, Wei-Kuo; Huang, Xianglei

2014-01-01

Cloud-top temperature (CTT) is an important parameter for convective clouds and is usually different from the 11-micrometers brightness temperature due to non-blackbody effects. This paper presents an algorithm for estimating convective CTT by using simultaneous passive [Moderate Resolution Imaging Spectroradiometer (MODIS)] and active [CloudSat 1 Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO)] measurements of clouds to correct for the non-blackbody effect. To do this, a weighting function of the MODIS 11-micrometers band is explicitly calculated by feeding cloud hydrometer profiles from CloudSat and CALIPSO retrievals and temperature and humidity profiles based on ECMWF analyses into a radiation transfer model.Among 16 837 tropical deep convective clouds observed by CloudSat in 2008, the averaged effective emission level (EEL) of the 11-mm channel is located at optical depth; approximately 0.72, with a standard deviation of 0.3. The distance between the EEL and cloud-top height determined by CloudSat is shown to be related to a parameter called cloud-top fuzziness (CTF), defined as the vertical separation between 230 and 10 dBZ of CloudSat radar reflectivity. On the basis of these findings a relationship is then developed between the CTF and the difference between MODIS 11-micrometers brightness temperature and physical CTT, the latter being the non-blackbody correction of CTT. Correction of the non-blackbody effect of CTT is applied to analyze convective cloud-top buoyancy. With this correction, about 70% of the convective cores observed by CloudSat in the height range of 6-10 km have positive buoyancy near cloud top, meaning clouds are still growing vertically, although their final fate cannot be determined by snapshot observations.

Onset of fractional-order thermal convection in porous media

NASA Astrophysics Data System (ADS)

Karani, Hamid; Rashtbehesht, Majid; Huber, Christian; Magin, Richard L.

2017-12-01

The macroscopic description of buoyancy-driven thermal convection in porous media is governed by advection-diffusion processes, which in the presence of thermophysical heterogeneities fail to predict the onset of thermal convection and the average rate of heat transfer. This work extends the classical model of heat transfer in porous media by including a fractional-order advective-dispersive term to account for the role of thermophysical heterogeneities in shifting the thermal instability point. The proposed fractional-order model overcomes limitations of the common closure approaches for the thermal dispersion term by replacing the diffusive assumption with a fractional-order model. Through a linear stability analysis and Galerkin procedure, we derive an analytical formula for the critical Rayleigh number as a function of the fractional model parameters. The resulting critical Rayleigh number reduces to the classical value in the absence of thermophysical heterogeneities when solid and fluid phases have similar thermal conductivities. Numerical simulations of the coupled flow equation with the fractional-order energy model near the primary bifurcation point confirm our analytical results. Moreover, data from pore-scale simulations are used to examine the potential of the proposed fractional-order model in predicting the amount of heat transfer across the porous enclosure. The linear stability and numerical results show that, unlike the classical thermal advection-dispersion models, the fractional-order model captures the advance and delay in the onset of convection in porous media and provides correct scalings for the average heat transfer in a thermophysically heterogeneous medium.

Influence of the thickness of multilayer matching systems on the transfer function of ultrasonic airborne transducer.

PubMed

Opieliński, Krzysztof J; Gudra, Tadeusz

2002-05-01

The effective ultrasonic energy radiation into the air of piezoelectric transducers requires using multilayer matching systems with accurately selected acoustic impedances and the thickness of particular layers. This problem is of particular importance in the case of ultrasonic transducers working at a frequency above 1 MHz. Because the possibilities of choosing material with required acoustic impedance are limited (the counted values cannot always be realised and applied in practice) it is necessary to correct the differences between theoretical values and the possibilities of practical application of given acoustic impedances. Such a correction can be done by manipulating other parameters of matching layers (e.g. by changing their thickness). The efficiency of the energy transmission from the piezoceramic transducer through different layers with different thickness enabling a compensation of non-ideal real values by changing their thickness was computer analysed. The result of this analysis is the conclusion that from the technological point of view a layer with defined thickness is easier and faster to produce than elaboration of a new material with required acoustic parameter.

(abstract) Mission Operations and Control Assurance: Flight Operations Quality Improvements

NASA Technical Reports Server (NTRS)

Welz, Linda L.; Bruno, Kristin J.; Kazz, Sheri L.; Witkowski, Mona M.

1993-01-01

Mission Operations and Command Assurance (MO&CA), a recent addition to flight operations teams at JPL. provides a system level function to instill quality in mission operations. MO&CA's primary goal at JPL is to help improve the operational reliability for projects during flight. MO&CA tasks include early detection and correction of process design and procedural deficiencies within projects. Early detection and correction are essential during development of operational procedures and training of operational teams. MO&CA's effort focuses directly on reducing the probability of radiating incorrect commands to a spacecraft. Over the last seven years at JPL, MO&CA has become a valuable asset to JPL flight projects. JPL flight projects have benefited significantly from MO&CA's efforts to contain risk and prevent rather than rework errors. MO&CA's ability to provide direct transfer of knowledge allows new projects to benefit directly from previous and ongoing experience. Since MO&CA, like Total Quality Management (TQM), focuses on continuous improvement of processes and elimination of rework, we recommend that this effort be continued on NASA flight projects.

Noise filtering of composite pulses for singlet-triplet qubits

NASA Astrophysics Data System (ADS)

Wang, Xin; Yang, Xu-Chen

Dynamically corrected gates are useful measures to combat decoherence in spin qubit systems. They are, however, mostly designed assuming the static-noise model and may thus be considered low-frequency noise filters. In this talk we carefully examine the applicability of a particular type of dynamically corrected gates, namely the supcode designed for singlet-triplet qubits, under realistic 1 /fα noises. Through randomized benchmarking, we have found that supcode offers improvement of the gate fidelity for α > 1 and the improvement becomes exponentially more pronounced with the increase of the noise exponent α up to 3. On the other hand, for small α supcode will not offer any improvement. We also present the computed filter transfer functions for the supcode gates for nuclear and charge noise respectively and have found that they are consistent with the finding from the benchmarking. The work is supported by Grants from City University of Hong Kong (Projects No. 9610335 and No. 7200456).

Noise filtering of composite pulses for singlet-triplet qubits

PubMed Central

Yang, Xu-Chen; Wang, Xin

2016-01-01

Semiconductor quantum dot spin qubits are promising candidates for quantum computing. In these systems, the dynamically corrected gates offer considerable reduction of gate errors and are therefore of great interest both theoretically and experimentally. They are, however, designed under the static-noise model and may be considered as low-frequency filters. In this work, we perform a comprehensive theoretical study of the response of a type of dynamically corrected gates, namely the supcode for singlet-triplet qubits, to realistic 1/f noises with frequency spectra 1/ωα. Through randomized benchmarking, we have found that supcode offers improvement of the gate fidelity for α  1 and the improvement becomes exponentially more pronounced with the increase of the noise exponent in the range 1  α ≤ 3 studied. On the other hand, for small α, supcode will not offer any improvement. The δJ-supcode, specifically designed for systems where the nuclear noise is absent, is found to offer additional error reduction than the full supcode for charge noises. The computed filter transfer functions of the supcode gates are also presented. PMID:27383129

Long-term results after distal rectus femoris transfer as a part of multilevel surgery for the correction of stiff-knee gait in spastic diplegic cerebral palsy.

PubMed

Dreher, Thomas; Wolf, Sebastian I; Maier, Michael; Hagmann, Sébastien; Vegvari, Dóra; Gantz, Simone; Heitzmann, Daniel; Wenz, Wolfram; Braatz, Frank

2012-10-03

The evidence for distal rectus femoris transfer as a part of multilevel surgery for the correction of stiff-knee gait in children with spastic diplegic cerebral palsy is limited because of inconsistent outcomes reported in various studies and the lack of long-term evaluations. This study investigated the long-term results (mean, nine years) for fifty-three ambulatory patients with spastic diplegic cerebral palsy and stiff-knee gait treated with standardized distal rectus femoris transfer as a part of multilevel surgery. Standardized three-dimensional gait analysis and clinical examination were carried out before surgery and at one year and nine years after surgery. Patients with decreased peak knee flexion in swing phase who had distal rectus femoris transfer to correct the decreased peak knee flexion in swing phase (C-DRFT) were evaluated separately from those with normal or increased peak knee flexion in swing phase who had distal rectus femoris transfer done as a prophylactic procedure (P-DRFT). A significantly increased peak knee flexion in swing phase was found in the C-DRFT group one year after surgery, while a significant loss (15°) in peak knee flexion in swing phase was noted in the P-DRFT group. A slight but not significant increase in peak knee flexion in swing phase in both groups was noted at the time of the long-term follow-up. A significant improvement in timing of peak knee flexion in swing phase was only found for the C-DRFT group, and was maintained after nine years. Knee motion and knee flexion velocity were significantly increased in both groups and were maintained at long-term follow-up in the C-DRFT group, while the P-DRFT showed a deterioration of knee motion. Distal rectus femoris transfer is an effective procedure to treat stiff-knee gait featuring decreased peak knee flexion in swing phase and leads to a long-lasting increase of peak knee flexion in swing phase nine years after surgery. Patients with more involvement showed a greater potential to benefit from distal rectus femoris transfer. However, 18% of the patients showed a permanently poor response and 15% developed recurrence. In patients with severe knee flexion who underwent a prophylactic distal rectus femoris transfer, a significant loss in peak knee flexion in swing phase was noted and thus a prophylactic distal rectus femoris transfer may not be indicated in these patients. Therapeutic Level IV. See Instructions for Authors for a complete description of levels of evidence.

Error Correction: a Proposal for a Standard

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

Kirkham, Harold; Riepnieks, Artis; So, Eddy

Some of the errors in transducers such as instrument transformers can be corrected as part of the digital processing for the measurement. The transducer can be characterized on such a way that allows the TEDS of IEEE Std 1451 to transfer the information to the measurement system. A modification would allow the measurement system to perform a high-quality self-calibration whenever a transducer was replaced.

Moving California Correctional Education into the Future: Directions and Strategies. Transfer of Knowledge Workshop (Sacramento, California, April 6-8, 1987).

ERIC Educational Resources Information Center

California State Dept. of the Youth Authority, Sacramento.

This publication is the product of a two and one-half day workshop that was held to develop directions and strategies for meeting the future needs of California correctional education. The first part of the document contains the opening session address by California Assemblyman John Vasconcellos and two presentations--"The Doomed and the…

Closed-loop spontaneous baroreflex transfer function is inappropriate for system identification of neural arc but partly accurate for peripheral arc: predictability analysis

PubMed Central

Kamiya, Atsunori; Kawada, Toru; Shimizu, Shuji; Sugimachi, Masaru

2011-01-01

Abstract Although the dynamic characteristics of the baroreflex system have been described by baroreflex transfer functions obtained from open-loop analysis, the predictability of time-series output dynamics from input signals, which should confirm the accuracy of system identification, remains to be elucidated. Moreover, despite theoretical concerns over closed-loop system identification, the accuracy and the predictability of the closed-loop spontaneous baroreflex transfer function have not been evaluated compared with the open-loop transfer function. Using urethane and α-chloralose anaesthetized, vagotomized and aortic-denervated rabbits (n = 10), we identified open-loop baroreflex transfer functions by recording renal sympathetic nerve activity (SNA) while varying the vascularly isolated intracarotid sinus pressure (CSP) according to a binary random (white-noise) sequence (operating pressure ± 20 mmHg), and using a simplified equation to calculate closed-loop-spontaneous baroreflex transfer function while matching CSP with systemic arterial pressure (AP). Our results showed that the open-loop baroreflex transfer functions for the neural and peripheral arcs predicted the time-series SNA and AP outputs from measured CSP and SNA inputs, with r2 of 0.8 ± 0.1 and 0.8 ± 0.1, respectively. In contrast, the closed-loop-spontaneous baroreflex transfer function for the neural arc was markedly different from the open-loop transfer function (enhanced gain increase and a phase lead), and did not predict the time-series SNA dynamics (r2; 0.1 ± 0.1). However, the closed-loop-spontaneous baroreflex transfer function of the peripheral arc partially matched the open-loop transfer function in gain and phase functions, and had limited but reasonable predictability of the time-series AP dynamics (r2, 0.7 ± 0.1). A numerical simulation suggested that a noise predominantly in the neural arc under resting conditions might be a possible mechanism responsible for our findings. Furthermore, the predictabilities of the neural arc transfer functions obtained in open-loop and closed-loop conditions were validated by closed-loop pharmacological (phenylephrine and nitroprusside infusions) pressure interventions. Time-series SNA responses to drug-induced AP changes predicted by the open-loop transfer function matched closely the measured responses (r2, 0.9 ± 0.1), whereas SNA responses predicted by closed-loop-spontaneous transfer function deviated greatly and were the inverse of measured responses (r, −0.8 ± 0.2). These results indicate that although the spontaneous baroreflex transfer function obtained by closed-loop analysis has been believed to represent the neural arc function, it is inappropriate for system identification of the neural arc but is essentially appropriate for the peripheral arc under resting conditions, when compared with open-loop analysis. PMID:21486839

First Principle Predictions of Isotopic Shifts in H2O

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Kwak, Dochan (Technical Monitor)

2002-01-01

We compute isotope independent first and second order corrections to the Born-Oppenheimer approximation for water and use them to predict isotopic shifts. For the diagonal correction, we use icMRCI wavefunctions and derivatives with respect to mass dependent, internal coordinates to generate the mass independent correction functions. For the non-adiabatic correction, we use scaled SCF/CIS wave functions and a generalization of the Handy method to obtain mass independent correction functions. We find that including the non-adiabatic correction gives significantly improved results compared to just including the diagonal correction when the Born-Oppenheimer potential energy surface is optimized for H2O-16. The agreement with experimental results for deuterium and tritium containing isotopes is nearly as good as our best empirical correction, however, the present correction is expected to be more reliable for higher, uncharacterized levels.

Amide proton transfer imaging with improved robustness to magnetic field inhomogeneity and magnetization transfer asymmetry using Saturation with Frequency Alternating RF Irradiation (SAFARI)

PubMed Central

Scheidegger, Rachel; Vinogradov, Elena; Alsop, David C

2011-01-01

Amide proton transfer (APT) imaging has shown promise as an indicator of tissue pH and as a marker for brain tumors. Sources of error in APT measurements include direct water saturation, and magnetization transfer (MT) from membranes and macromolecules. These are typically suppressed by post-processing asymmetry analysis. However, this approach is strongly dependent on B0 homogeneity and can introduce additional errors due to intrinsic MT asymmetry, aliphatic proton features opposite the amide peak, and radiation damping-induced asymmetry. Although several methods exist to correct for B0 inhomogeneity, they tremendously increase scan times and do not address errors induced by asymmetry of the z-spectrum. In this paper, a novel saturation scheme - saturation with frequency alternating RF irradiation (SAFARI) - is proposed in combination with a new magnetization transfer ratio (MTR) parameter designed to generate APT images insensitive to direct water saturation and MT, even in the presence of B0 inhomogeneity. The feasibility of the SAFARI technique is demonstrated in phantoms and in the human brain. Experimental results show that SAFARI successfully removes direct water saturation and MT contamination from APT images. It is insensitive to B0 offsets up to 180Hz without using additional B0 correction, thereby dramatically reducing scanning time. PMID:21608029

Bayesian calibration of coarse-grained forces: Efficiently addressing transferability

NASA Astrophysics Data System (ADS)

Patrone, Paul N.; Rosch, Thomas W.; Phelan, Frederick R.

2016-04-01

Generating and calibrating forces that are transferable across a range of state-points remains a challenging task in coarse-grained (CG) molecular dynamics. In this work, we present a coarse-graining workflow, inspired by ideas from uncertainty quantification and numerical analysis, to address this problem. The key idea behind our approach is to introduce a Bayesian correction algorithm that uses functional derivatives of CG simulations to rapidly and inexpensively recalibrate initial estimates f0 of forces anchored by standard methods such as force-matching. Taking density-temperature relationships as a running example, we demonstrate that this algorithm, in concert with various interpolation schemes, can be used to efficiently compute physically reasonable force curves on a fine grid of state-points. Importantly, we show that our workflow is robust to several choices available to the modeler, including the interpolation schemes and tools used to construct f0. In a related vein, we also demonstrate that our approach can speed up coarse-graining by reducing the number of atomistic simulations needed as inputs to standard methods for generating CG forces.

A dissipative random velocity field for fully developed fluid turbulence

NASA Astrophysics Data System (ADS)

Chevillard, Laurent; Pereira, Rodrigo; Garban, Christophe

2016-11-01

We investigate the statistical properties, based on numerical simulations and analytical calculations, of a recently proposed stochastic model for the velocity field of an incompressible, homogeneous, isotropic and fully developed turbulent flow. A key step in the construction of this model is the introduction of some aspects of the vorticity stretching mechanism that governs the dynamics of fluid particles along their trajectory. An additional further phenomenological step aimed at including the long range correlated nature of turbulence makes this model depending on a single free parameter that can be estimated from experimental measurements. We confirm the realism of the model regarding the geometry of the velocity gradient tensor, the power-law behaviour of the moments of velocity increments, including the intermittent corrections, and the existence of energy transfers across scales. We quantify the dependence of these basic properties of turbulent flows on the free parameter and derive analytically the spectrum of exponents of the structure functions in a simplified non dissipative case. A perturbative expansion shows that energy transfers indeed take place, justifying the dissipative nature of this random field.

ZAP-70 Restoration in Mice by In Vivo Thymic Electroporation

PubMed Central

Kissenpfennig, Adrien; Poulin, Lionel Franz; Leserman, Lee; Marche, Patrice N.; Jouvin-Marche, Evelyne; Berger, François; Nguyen, Catherine

2008-01-01

Viral and non-viral vectors have been developed for gene therapy, but their use is associated with unresolved problems of efficacy and safety. Efficient and safe methods of DNA delivery need to be found for medical application. Here we report a new monopolar system of non-viral electro-gene transfer into the thymus in vivo that consists of the local application of electrical pulses after the introduction of the DNA. We assessed the proof of concept of this approach by correcting ZAP-70 deficient severe combined immunodeficiency (SCID) in mice. The thymic electro-gene transfer of the pCMV-ZAP-70-IRES-EGFP vector in these mice resulted in rapid T cell differentiation in the thymus with mature lymphocytes detected by three weeks in secondary lymphoid organs. Moreover, this system resulted in the generation of long-term functional T lymphocytes. Peripheral reconstituted T cells displayed a diversified T cell receptor (TCR) repertoire, and were responsive to alloantigens in vivo. This process applied to the thymus could represent a simplified and effective alternative for gene therapy of T cell immunodeficiencies. PMID:18446234

Nuclear fragmentation energy and momentum transfer distributions in relativistic heavy-ion collisions

NASA Technical Reports Server (NTRS)

Khandelwal, Govind S.; Khan, Ferdous

1989-01-01

An optical model description of energy and momentum transfer in relativistic heavy-ion collisions, based upon composite particle multiple scattering theory, is presented. Transverse and longitudinal momentum transfers to the projectile are shown to arise from the real and absorptive part of the optical potential, respectively. Comparisons of fragment momentum distribution observables with experiments are made and trends outlined based on our knowledge of the underlying nucleon-nucleon interaction. Corrections to the above calculations are discussed. Finally, use of the model as a tool for estimating collision impact parameters is indicated.

Transfer of function and prior derived-relations testing.

PubMed

Doughty, Adam H; Best, Lauren

2017-10-01

This experiment assessed transfer of function through equivalence relations with and without prior derived-stimulus-relations (DSR) testing. In a DSR-Testing Group, eight college students learned A-B and A-C discriminations in baseline. They then derived the B-C and C-B equivalence relations before being exposed to a transfer-of-function manipulation and test. Eight participants in a No-DSR Testing Group were exposed to the transfer-of-function manipulation and test immediately after learning the baseline discriminations (i.e., B-C and C-B testing were omitted). In the transfer-of-function manipulation, participants learned to respond differently in the presence of B1 and B2 to avoid money loss. In the transfer-of-function test, responding in the presence of C1 and C2 was measured in the absence of differential consequences. Transfer of function occurred reliably only in the DSR-Testing Group (i.e., participants responding to C1 and C2 in the manner they learned to respond to B1 and B2, respectively). These findings support the notion that prior DSR testing can be critical to observing transfer of function. Copyright © 2017 Elsevier B.V. All rights reserved.

System and method of active vibration control for an electro-mechanically cooled device

DOEpatents

Lavietes, Anthony D.; Mauger, Joseph; Anderson, Eric H.

2000-01-01

A system and method of active vibration control of an electro-mechanically cooled device is disclosed. A cryogenic cooling system is located within an environment. The cooling system is characterized by a vibration transfer function, which requires vibration transfer function coefficients. A vibration controller generates the vibration transfer function coefficients in response to various triggering events. The environments may differ by mounting apparatus, by proximity to vibration generating devices, or by temperature. The triggering event may be powering on the cooling system, reaching an operating temperature, or a reset action. A counterbalance responds to a drive signal generated by the vibration controller, based on the vibration signal and the vibration transfer function, which adjusts vibrations. The method first places a cryogenic cooling system within a first environment and then generates a first set of vibration transfer function coefficients, for a vibration transfer function of the cooling system. Next, the cryogenic cooling system is placed within a second environment and a second set of vibration transfer function coefficients are generated. Then, a counterbalance is driven, based on the vibration transfer function, to reduce vibrations received by a vibration sensitive element.

Overexpression of prefoldin from the hyperthermophilic archaeum Pyrococcus horikoshii OT3 endowed Escherichia coli with organic solvent tolerance.

PubMed

Okochi, Mina; Kanie, Kei; Kurimoto, Masaki; Yohda, Masafumi; Honda, Hiroyuki

2008-06-01

Prefoldin is a jellyfish-shaped hexameric chaperone that captures a protein-folding intermediate and transfers it to the group II chaperonin for correct folding. In this work, we characterized the organic solvent tolerance of Escherichia coli cells that overexpress prefoldin and group II chaperonin from a hyperthermophilic archeaum, Pyrococcus horikoshii OT3. The colony-forming efficiency of E. coli cells overexpressing prefoldin increased by 1,000-fold and decreased the accumulation of intracellular organic solvent. The effect was impaired by deletions of the region responsible for the chaperone function of prefoldin. Therefore, we concluded that prefoldin endows E. coli cells by preventing accumulation of intracellular organic solvent through its molecular chaperone activity.

Automated batch fiducial-less tilt-series alignment in Appion using Protomo

PubMed Central

Noble, Alex J.; Stagg, Scott M.

2015-01-01

The field of electron tomography has benefited greatly from manual and semi-automated approaches to marker-based tilt-series alignment that have allowed for the structural determination of multitudes of in situ cellular structures as well as macromolecular structures of individual protein complexes. The emergence of complementary metal-oxide semiconductor detectors capable of detecting individual electrons has enabled the collection of low dose, high contrast images, opening the door for reliable correlation-based tilt-series alignment. Here we present a set of automated, correlation-based tilt-series alignment, contrast transfer function (CTF) correction, and reconstruction workflows for use in conjunction with the Appion/Leginon package that are primarily targeted at automating structure determination with cryogenic electron microscopy. PMID:26455557

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

Orlenko, E. V., E-mail: eorlenko@mail.ru; Evstafev, A. V.; Orlenko, F. E.

A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithiummore » atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated.« less

Electron-neutrino charged-current quasi-elastic scattering in MINERvA

NASA Astrophysics Data System (ADS)

Wolcott, Jeremy

2014-03-01

The electron-neutrino charged-current quasi-elastic (CCQE) cross-section on nuclei is an important input parameter to appearance-type neutrino oscillation experiments. Current experiments typically work from the muon neutrino CCQE cross-section and apply corrections from theoretical arguments to obtain a prediction for the electron neutrino CCQE cross-section, but to date there has been no precise experimental verification of these estimates at an energy scale appropriate to such experiments. We present the current status of a direct measurement of the electron neutrino CCQE differential cross-section as a function of the squared four-momentum transfer to the nucleus, Q2, in MINERvA. This talk will discuss event selection, background constraints, and the flux prediction used in the calculation.

Transfer Function Identification Using Orthogonal Fourier Transform Modeling Functions

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.

2013-01-01

A method for transfer function identification, including both model structure determination and parameter estimation, was developed and demonstrated. The approach uses orthogonal modeling functions generated from frequency domain data obtained by Fourier transformation of time series data. The method was applied to simulation data to identify continuous-time transfer function models and unsteady aerodynamic models. Model fit error, estimated model parameters, and the associated uncertainties were used to show the effectiveness of the method for identifying accurate transfer function models from noisy data.

78 FR 52405 - Regulations Transferred From the Office of Thrift Supervision

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-23

... FEDERAL DEPOSIT INSURANCE CORPORATION 12 CFR Part 390 Regulations Transferred From the Office of Thrift Supervision CFR Correction 0 In Title 12 of the Code of Federal Regulations, Parts 300 to 499, revised as of January 1, 2013, in Appendix A to Subpart Z of Part 390, at the bottom of page 1015, reinstate footnotes 10 through 12, and at the...

Simplified correction of B1 inhomogeneity for chemical exchange saturation transfer (CEST) MRI measurement with surface transceiver coil

NASA Astrophysics Data System (ADS)

Sun, Phillip Z.; Zhou, Iris Y.; Igarashi, Takahiro; Guo, Yingkun; Xiao, Gang; Wu, Renhua

2015-03-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to dilute exchangeable protons and local properties such as pH and temperate, yet its susceptibility to field inhomogeneity limits its in vivo applications. Particularly, CEST measurement varies with RF irradiation power, the dependence of which is complex due to concomitant direct RF saturation (RF spillover) effect. Because the volume transmitters provide relatively homogeneous RF field, they have been conventionally used for CEST imaging despite of their elevated specific absorption rate (SAR) and relatively low sensitivity than surface coils. To address this limitation, we developed an efficient B1 inhomogeneity correction algorithm that enables CEST MRI using surface transceiver coils. This is built on recent work that showed the inverse CEST asymmetry analysis (CESTRind) is not susceptible to confounding RF spillover effect. We here postulated that the linear relationship between RF power level and CESTRind can be extended for correcting B1 inhomogeneity induced CEST MRI artifacts. Briefly, we prepared a tissue-like Creatine gel pH phantom and collected multiparametric MRI including relaxation, field map and CEST MRI under multiple RF power levels, using a conventional surface transceiver coil. The raw CEST images showed substantial heterogeneity due to B1 inhomogeneity, with pH contrast to noise ratio (CNR) being 8.8. In comparison, pH MRI CNR of the fieldinhomogeneity corrected CEST MRI was found to be 17.2, substantially higher than that without correction. To summarize, our study validated an efficient field inhomogeneity correction that enables sensitive CEST MRI with surface transceiver, promising for in vivo translation.

Design of optimal impulse transfers from the Sun-Earth libration point to asteroid

NASA Astrophysics Data System (ADS)

Wang, Yamin; Qiao, Dong; Cui, Pingyuan

2015-07-01

The lunar probe, Chang'E-2, is the first one to successfully achieve both the transfer to Sun-Earth libration point orbit and the flyby of near-Earth asteroid Toutatis. This paper, taking the Chang'E-2's asteroid flyby mission as an example, provides a method to design low-energy transfers from the libration point orbit to an asteroid. The method includes the analysis of transfer families and the design of optimal impulse transfers. Firstly, the one-impulse transfers are constructed by correcting the initial guesses, which are obtained by perturbing in the direction of unstable eigenvector. Secondly, the optimality of one-impulse transfers is analyzed and the optimal impulse transfers are built by using the primer vector theory. After optimization, the transfer families, including the slow and the fast transfers, are refined to be continuous and lower-cost transfers. The method proposed in this paper can be also used for designing transfers from an arbitrary Sun-Earth libration point orbit to a near-Earth asteroid in the Sun-Earth-Moon system.

Adsorption of DNA/RNA nucleobases onto single-layer MoS2 and Li-Doped MoS2: A dispersion-corrected DFT study

NASA Astrophysics Data System (ADS)

Sadeghi, Meisam; Jahanshahi, Mohsen; Ghorbanzadeh, Morteza; Najafpour, Ghasem

2018-03-01

The kind of sensing platform in nano biosensor plays an important role in nucleic acid sequence detection. It has been demonstrated that graphene does not have an intrinsic band gap; therefore, transition metal dichalcogenides (TMDs) are desirable materials for electronic base detection. In the present work, a comparative study of the adsorption of the DNA/RNA nucleobases [Adenine (A), Cytosine (C) Guanine (G), Thymine (T) and Uracil (U)] onto the single-layer molybdenum disulfide (MoS2) and Li-doped MoS2 (Li-MoS2) as a sensing surfaces was investigated by using Dispersion-corrected Density Functional Theory (D-DFT) calculations and different measure of equilibrium distances, charge transfers and binding energies for the various nucleobases were calculated. The results revealed that the interactions between the nucleobases and the MoS2 can be strongly enhanced by introducing metal atom, due to significant charge transfer from the Li atom to the MoS2 when Lithium is placed on top of the MoS2. Furthermore, the binding energies of the five nucleobases were in the range of -0.734 to -0.816 eV for MoS2 and -1.47 to -1.80 eV for the Li-MoS2. Also, nucleobases were adsorbed onto MoS2 sheets via the van der Waals (vdW) force. This high affinity and the renewable properties of the biosensing platform demonstrated that Li-MoS2 nanosheet is biocompatible and suitable for nucleic acid analysis.

Phylogeny Reconstruction with Alignment-Free Method That Corrects for Horizontal Gene Transfer.

PubMed

Bromberg, Raquel; Grishin, Nick V; Otwinowski, Zbyszek

2016-06-01

Advances in sequencing have generated a large number of complete genomes. Traditionally, phylogenetic analysis relies on alignments of orthologs, but defining orthologs and separating them from paralogs is a complex task that may not always be suited to the large datasets of the future. An alternative to traditional, alignment-based approaches are whole-genome, alignment-free methods. These methods are scalable and require minimal manual intervention. We developed SlopeTree, a new alignment-free method that estimates evolutionary distances by measuring the decay of exact substring matches as a function of match length. SlopeTree corrects for horizontal gene transfer, for composition variation and low complexity sequences, and for branch-length nonlinearity caused by multiple mutations at the same site. We tested SlopeTree on 495 bacteria, 73 archaea, and 72 strains of Escherichia coli and Shigella. We compared our trees to the NCBI taxonomy, to trees based on concatenated alignments, and to trees produced by other alignment-free methods. The results were consistent with current knowledge about prokaryotic evolution. We assessed differences in tree topology over different methods and settings and found that the majority of bacteria and archaea have a core set of proteins that evolves by descent. In trees built from complete genomes rather than sets of core genes, we observed some grouping by phenotype rather than phylogeny, for instance with a cluster of sulfur-reducing thermophilic bacteria coming together irrespective of their phyla. The source-code for SlopeTree is available at: http://prodata.swmed.edu/download/pub/slopetree_v1/slopetree.tar.gz.

Phylogeny Reconstruction with Alignment-Free Method That Corrects for Horizontal Gene Transfer

PubMed Central

Grishin, Nick V.; Otwinowski, Zbyszek

2016-01-01

Advances in sequencing have generated a large number of complete genomes. Traditionally, phylogenetic analysis relies on alignments of orthologs, but defining orthologs and separating them from paralogs is a complex task that may not always be suited to the large datasets of the future. An alternative to traditional, alignment-based approaches are whole-genome, alignment-free methods. These methods are scalable and require minimal manual intervention. We developed SlopeTree, a new alignment-free method that estimates evolutionary distances by measuring the decay of exact substring matches as a function of match length. SlopeTree corrects for horizontal gene transfer, for composition variation and low complexity sequences, and for branch-length nonlinearity caused by multiple mutations at the same site. We tested SlopeTree on 495 bacteria, 73 archaea, and 72 strains of Escherichia coli and Shigella. We compared our trees to the NCBI taxonomy, to trees based on concatenated alignments, and to trees produced by other alignment-free methods. The results were consistent with current knowledge about prokaryotic evolution. We assessed differences in tree topology over different methods and settings and found that the majority of bacteria and archaea have a core set of proteins that evolves by descent. In trees built from complete genomes rather than sets of core genes, we observed some grouping by phenotype rather than phylogeny, for instance with a cluster of sulfur-reducing thermophilic bacteria coming together irrespective of their phyla. The source-code for SlopeTree is available at: http://prodata.swmed.edu/download/pub/slopetree_v1/slopetree.tar.gz. PMID:27336403

Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.

PubMed

Ni, Boris; Baumketner, Andrij

2013-02-14

Increasingly, theoretical studies of proteins focus on large systems. This trend demands the development of computational models that are fast, to overcome the growing complexity, and accurate, to capture the physically relevant features. To address this demand, we introduce a protein model that uses all-atom architecture to ensure the highest level of chemical detail while employing effective pair potentials to represent the effect of solvent to achieve the maximum speed. The effective potentials are derived for amino acid residues based on the condition that the solvent-free model matches the relevant pair-distribution functions observed in explicit solvent simulations. As a test, the model is applied to alanine polypeptides. For the chain with 10 amino acid residues, the model is found to reproduce properly the native state and its population. Small discrepancies are observed for other folding properties and can be attributed to the approximations inherent in the model. The transferability of the generated effective potentials is investigated in simulations of a longer peptide with 25 residues. A minimal set of potentials is identified that leads to qualitatively correct results in comparison with the explicit solvent simulations. Further tests, conducted for multiple peptide chains, show that the transferable model correctly reproduces the experimentally observed tendency of polyalanines to aggregate into β-sheets more strongly with the growing length of the peptide chain. Taken together, the reported results suggest that the proposed model could be used to succesfully simulate folding and aggregation of small peptides in atomic detail. Further tests are needed to assess the strengths and limitations of the model more thoroughly.

Theoretical studies for excited-state tautomerization in the 7-azaindole-(CH3OH)n (n = 1 and 2) complexes in the gas phase.

PubMed

Fang, Hua; Kim, Yongho

2011-12-01

The excited-state tautomerization of 7-azaindole (7AI) complexes bonded with either one or two methanol molecule(s) was studied by systematic quantum mechanical calculations in the gas phases. Electronic structures and energies for the reactant, transition state (TS), and product were computed at the complete active space self-consistent field (CASSCF) levels with the second-order multireference perturbation theory (MRPT2) to consider the dynamic electron correlation. The time-dependent density functional theory (TDDFT) was also used for comparison. The excited-state double proton transfer (ESDPT) in 7AI-CH(3)OH occurs in a concerted but asynchronous mechanism. Similarly, such paths are also found in the two transition states during the excited-state triple proton transfer (ESTPT) of the 7AI-(CH(3)OH)(2) complex. In the first TS, the pyrrole ring proton first migrated to methanol, while in the second the methanol proton moved first to the pyridine ring. The CASSCF level with the MRPT2 correction showed that the former path was much preferable to the latter, and the ESDPT is much slower than the ESTPT. Additionally, the vibrational-mode enhanced tautomerization in the 7AI-(CH(3)OH)(2) complex was also studied. We found that the excitation of the low-frequency mode shortens the reaction path to increase the tautomerization rate. Overall, most TDDFT methods used in this study predicted different TS structures and barriers from the CASSCF methods with MRPT2 corrections. © 2011 American Chemical Society

Copackaged AAV9 Vectors Promote Simultaneous Immune Tolerance and Phenotypic Correction of Pompe Disease

PubMed Central

Doerfler, Phillip A.; Todd, Adrian G.; Clément, Nathalie; Falk, Darin J.; Nayak, Sushrusha; Herzog, Roland W.; Byrne, Barry J.

2016-01-01

Pompe disease is a progressive neuromuscular disorder caused by lysosomal accumulation of glycogen from a deficiency in acid alpha-glucosidase (GAA). Replacement of the missing enzyme is available by repeated protein infusions; however, efficacy is limited by immune response and inability to restore enzymatic function in the central nervous system. An alternative therapeutic option is adeno-associated virus (AAV)-mediated gene therapy, which results in widespread gene transfer and prolonged transgene expression. Both enzyme replacement therapy (ERT) and gene therapy can elicit anti-GAA immune reactions that dampen their effectiveness and pose life-threatening risks to patient safety. To modulate the immune responses related to gene therapy, we show that a human codon-optimized GAA (coGAA) driven by a liver-specific promoter (LSP) using AAV9 is capable of promoting immune tolerance in a Gaa−/− mouse model. Copackaging AAV9-LSP-coGAA with the tissue-restricted desmin promoter (AAV9-DES-coGAA) demonstrates the necessary cell autonomous expression in cardiac muscle, skeletal muscle, peripheral nerve, and the spinal cord. Simultaneous high-level expression in liver led to the expansion of GAA-specific regulatory T-cells (Tregs) and induction of immune tolerance. Transfer of Tregs into naïve recipients prevented pathogenic allergic reactions after repeated ERT challenges. Copackaged AAV9 also attenuated preexisting humoral and cellular immune responses, which enhanced the biochemical correction. Our data present a therapeutic design in which simultaneous administration of two copackaged AAV constructs may provide therapeutic benefit and resolve immune reactions in the treatment of multisystem disorders. PMID:26603344

77 FR 1941 - Statement of Organization, Functions, and Delegations of Authority; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-12

... DEPARTMENT OF HEALTH AND HUMAN SERVICES National Institutes of Health Statement of Organization, Functions, and Delegations of Authority; Correction Correction In the Federal Register of January 6, 2012... of Health Statement of Organization, Functions, and Delegations of Authority. On page 797, in the...

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: a comparison between density functional theory and density functional tight binding results.

PubMed

grosse Holthaus, Svea; Köppen, Susan; Frauenheim, Thomas; Ciacchi, Lucio Colombi

2014-06-21

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101̄0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to form predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.

Molecular dynamics simulations of the amino acid-ZnO (10-10) interface: A comparison between density functional theory and density functional tight binding results

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

Holthaus, Svea große; Köppen, Susan, E-mail: koeppen@hmi.uni-bremen.de; Frauenheim, Thomas

2014-06-21

We investigate the adsorption behavior of four different amino acids (glutamine, glutamate, serine, cysteine) on the zinc oxide (101{sup ¯}0) surface, comparing the geometry and energy associated with a number of different adsorption configurations. In doing this, we highlight the benefits and limits of using density-functional tight-binding (DFTB) with respect to standard density functional theory (DFT). The DFTB method is found to reliably reproduce the DFT adsorption geometries. Analysis of the adsorption configurations emphasizes the fundamental role of the first hydration layer in mediating the interactions between the amino acids and the surface. Direct surface-molecule bonds are found to formmore » predominantly via the carboxylate groups of the studied amino acids. No surface-mediated chemical reactions are observed, with the notable exception of a proton transfer from the thiol group of cysteine to a hydroxyl group of the surface hydration layer. The adsorption energies are found to be dominated both by the formation of direct or indirect surface-molecule hydrogen bonds, but also by the rearrangement of the hydrogen-bond network in surface proximity in a non-intuitive way. Energetic comparisons between DFTB and DFT are made difficult on one side by the long time necessary to achieve convergence of potential energy values in MD simulations and on the other side by the necessity of including higher-order corrections to DFTB to obtain a good description of the hydrogen bond energetics. Overall, our results suggest that DFTB is a good reference method to set the correct chemical states and the initial geometries of hybrid biomolecule/ZnO systems to be simulated with non-reactive force fields.« less

On the Compton scattering redistribution function in plasma

NASA Astrophysics Data System (ADS)

Madej, J.; Różańska, A.; Majczyna, A.; Należyty, M.

2017-08-01

Compton scattering is the dominant opacity source in hot neutron stars, accretion discs around black holes and hot coronae. We collected here a set of numerical expressions of the Compton scattering redistribution functions (RFs) for unpolarized radiation, which are more exact than the widely used Kompaneets equation. The principal aim of this paper is the presentation of the RF by Guilbert, which is corrected for the computational errors in the original paper. This corrected RF was used in the series of papers on model atmosphere computations of hot neutron stars. We have also organized four existing algorithms for the RF computations into a unified form ready to use in radiative transfer and model atmosphere codes. The exact method by Nagirner & Poutanen was numerically compared to all other algorithms in a very wide spectral range from hard X-rays to radio waves. Sample computations of the Compton scattering RFs in thermal plasma were done for temperatures corresponding to the atmospheres of bursting neutron stars and hot intergalactic medium. Our formulae are also useful to study the Compton scattering of unpolarized microwave background radiation in hot intracluster gas and the Sunyaev-Zeldovich effect. We conclude that the formulae by Guilbert and the exact quantum mechanical formulae yield practically the same RFs for gas temperatures relevant to the atmospheres of X-ray bursting neutron stars, T ≤ 108 K.

Digital radiographic imaging transfer: comparison with plain radiographs.

PubMed

Averch, T D; O'Sullivan, D; Breitenbach, C; Beser, N; Schulam, P G; Moore, R G; Kavoussi, L R

1997-04-01

Advances in digital imaging and computer display technology have allowed development of clinical teleradiographic systems. There are limited data assessing the effectiveness of such systems when applied to urologic pathology. In an effort to appraise the effectiveness of teleradiology in identifying renal calculi, the accuracy of findings on transmitted radiographic images were compared with those made when viewing the actual plain film. Plain films (KUB) were obtained from 26 patients who presented to the radiology department to rule out urinary calculous disease. The films were digitalized by a radiograph scanner into ARCNEMA-2 file format, compressed by a NASA algorithm, and transferred via a 28.8-kbps modern over standard telephone lines to a remote section 25 miles away, where they were decompressed and viewed on a 1600 x 1200-pixel monitor. Two attending urologists and two endourologic fellows were randomized to read either the transmitted image or the original radiograph with minimal clinical history provided. Of the 26 plain radiographic films, 24 were correctly interpreted by the fellows and 25 by the attending physicians (92% and 96% accuracy, respectively) for a total accuracy of 94% with no statistical difference (p = 0.16). After compression, all but one of the digital images were transferred successfully. The attending physicians correctly interpreted 24 of the 25 digital images (96%), whereas the fellows were correct on 21 interpretations (84%), resulting in a total 90% accuracy with a significant difference between the groups (p < or = 0.04). Overall, no statistical difference between the interpretations of the plain film and the digital image was revealed (p = 0.21). Using available technology, KUB images can be transmitted to a remote site, and the location of a stone can be determined correctly. Higher accuracy is demonstrated by experienced surgeons.

Estimated Viscosities and Thermal Conductivities of Gases at High Temperatures

NASA Technical Reports Server (NTRS)

Svehla, Roger A.

1962-01-01

Viscosities and thermal conductivities, suitable for heat-transfer calculations, were estimated for about 200 gases in the ground state from 100 to 5000 K and 1-atmosphere pressure. Free radicals were included, but excited states and ions were not. Calculations for the transport coefficients were based upon the Lennard-Jones (12-6) potential for all gases. This potential was selected because: (1) It is one of the most realistic models available and (2) intermolecular force constants can be estimated from physical properties or by other techniques when experimental data are not available; such methods for estimating force constants are not as readily available for other potentials. When experimental viscosity data were available, they were used to obtain the force constants; otherwise the constants were estimated. These constants were then used to calculate both the viscosities and thermal conductivities tabulated in this report. For thermal conductivities of polyatomic gases an Eucken-type correction was made to correct for exchange between internal and translational energies. Though this correction may be rather poor at low temperatures, it becomes more satisfactory with increasing temperature. It was not possible to obtain force constants from experimental thermal conductivity data except for the inert atoms, because most conductivity data are available at low temperatures only (200 to 400 K), the temperature range where the Eucken correction is probably most in error. However, if the same set of force constants is used for both viscosity and thermal conductivity, there is a large degree of cancellation of error when these properties are used in heat-transfer equations such as the Dittus-Boelter equation. It is therefore concluded that the properties tabulated in this report are suitable for heat-transfer calculations of gaseous systems.

Quantifying highly efficient incoherent energy transfer in perylene-based multichromophore arrays.

PubMed

Webb, James E A; Chen, Kai; Prasad, Shyamal K K; Wojciechowski, Jonathan P; Falber, Alexander; Thordarson, Pall; Hodgkiss, Justin M

2016-01-21

Multichromophore perylene arrays were designed and synthesized to have extremely efficient resonance energy transfer. Using broadband ultrafast photoluminescence and transient absorption spectroscopies, transfer timescales of approximately 1 picosecond were resolved, corresponding to efficiencies of up to 99.98%. The broadband measurements also revealed spectra corresponding to incoherent transfer between localized states. Polarization resolved spectroscopy was used to measure the dipolar angles between donor and acceptor chromophores, thereby enabling geometric factors to be fixed when assessing the validity of Förster theory in this regime. Förster theory was found to predict the correct magnitude of transfer rates, with measured ∼2-fold deviations consistent with the breakdown of the point-dipole approximation at close approach. The materials presented, along with the novel methods for quantifying ultrahigh energy transfer efficiencies, will be valuable for applications demanding extremely efficient energy transfer, including fluorescent solar concentrators, optical gain, and photonic logic devices.

Computer method for identification of boiler transfer functions

NASA Technical Reports Server (NTRS)

Miles, J. H.

1971-01-01

An iterative computer method is described for identifying boiler transfer functions using frequency response data. An objective penalized performance measure and a nonlinear minimization technique are used to cause the locus of points generated by a transfer function to resemble the locus of points obtained from frequency response measurements. Different transfer functions can be tried until a satisfactory empirical transfer function to the system is found. To illustrate the method, some examples and some results from a study of a set of data consisting of measurements of the inlet impedance of a single tube forced flow boiler with inserts are given.

Measurement of the structure function of the nearly free neutron using spectator tagging in inelastic 2H(e ,e'ps )X scattering with CLAS

NASA Astrophysics Data System (ADS)

Tkachenko, S.; Baillie, N.; Kuhn, S. E.; Zhang, J.; Arrington, J.; Bosted, P.; Bültmann, S.; Christy, M. E.; Fenker, H.; Griffioen, K. A.; Kalantarians, N.; Keppel, C. E.; Melnitchouk, W.; Tvaskis, V.; Adhikari, K. P.; Aghasyan, M.; Amaryan, M. J.; Anefalos Pereira, S.; Avakian, H.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dodge, G. E.; Doughty, D.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fleming, J. A.; Garillon, B.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Golovatch, E.; Gothe, R. W.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jo, H. S.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; King, P. M.; Klein, A.; Klein, F. J.; Koirala, S.; Kubarovsky, V.; Kuleshov, S. V.; Lenisa, P.; Lewis, S.; Livingston, K.; Lu, H.; MacCormick, M.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McKinnon, B.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moutarde, H.; Munoz Camacho, C.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Protopopescu, D.; Puckett, A. J. R.; Rimal, D.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Schott, D.; Schumacher, R. A.; Seder, E.; Senderovich, I.; Sharabian, Y. G.; Simonyan, A.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Stepanyan, S.; Stepanyan, S. S.; Strauch, S.; Tang, W.; Ungaro, M.; Vlassov, A. V.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D.; Wei, X.; Weinstein, L. B.; Wood, M. H.; Zana, L.; Zonta, I.; CLAS Collaboration

2014-04-01

Background: Much less is known about neutron structure than that of the proton due to the absence of free neutron targets. Neutron information is usually extracted from data on nuclear targets such as deuterium, requiring corrections for nuclear binding and nucleon off-shell effects. These corrections are model dependent and have significant uncertainties, especially for large values of the Bjorken scaling variable x . As a consequence, the same data can lead to different conclusions, for example, about the behavior of the d quark distribution in the proton at large x . Purpose: The Barely Off-shell Nucleon Structure experiment at Jefferson Lab measured the inelastic electron-deuteron scattering cross section, tagging spectator protons in coincidence with the scattered electrons. This method reduces nuclear binding uncertainties significantly and has allowed for the first time a (nearly) model-independent extraction of the neutron structure function F2(x ,Q2) in the resonance and deep-inelastic regions. Method: A novel compact radial time projection chamber was built to detect protons with momentum between 70 and 150 MeV/c and over a nearly 4 π angular range. For the extraction of the free-neutron structure function F2n, spectator protons at backward angles (>100∘ relative to the momentum transfer) and with momenta below 100 MeV/c were selected, ensuring that the scattering took place on a nearly free neutron. The scattered electrons were detected with Jefferson Lab's CLAS spectrometer, with data taken at beam energies near 2, 4, and 5 GeV. Results: The extracted neutron structure function F2n and its ratio to the inclusive deuteron structure function F2d are presented in both the resonance and the deep-inelastic regions for momentum transfer squared Q2 between 0.7 and 5 GeV2/c2 , invariant mass W between 1 and 2.7 GeV/c2 , and Bjorken x between 0.25 and 0.6 (in the deep-inelastic scattering region). The dependence of the semi-inclusive cross section on the spectator proton momentum and angle is investigated, and tests of the spectator mechanism for different kinematics are performed. Conclusions: Our data set on the structure function ratio F2n/F2d can be used to study neutron resonance excitations, test quark-hadron duality in the neutron, develop more precise parametrizations of structure functions, and investigate binding effects (including possible mechanisms for the nuclear EMC effect) and provide a first glimpse of the asymptotic behavior of d /u at x →1 .

The Self-Association of Graphane Is Driven by London Dispersion and Enhanced Orbital Interactions.

PubMed

Wang, Changwei; Mo, Yirong; Wagner, J Philipp; Schreiner, Peter R; Jemmis, Eluvathingal D; Danovich, David; Shaik, Sason

2015-04-14

We investigated the nature of the cohesive energy between graphane sheets via multiple CH···HC interactions, using density functional theory (DFT) including dispersion correction (Grimme's D3 approach) computations of [n]graphane σ dimers (n = 6-73). For comparison, we also evaluated the binding between graphene sheets that display prototypical π/π interactions. The results were analyzed using the block-localized wave function (BLW) method, which is a variant of ab initio valence bond (VB) theory. BLW interprets the intermolecular interactions in terms of frozen interaction energy (ΔE(F)) composed of electrostatic and Pauli repulsion interactions, polarization (ΔE(pol)), charge-transfer interaction (ΔE(CT)), and dispersion effects (ΔE(disp)). The BLW analysis reveals that the cohesive energy between graphane sheets is dominated by two stabilizing effects, namely intermolecular London dispersion and two-way charge transfer energy due to the σ(CH) → σ*(HC) interactions. The shift of the electron density around the nonpolar covalent C-H bonds involved in the intermolecular interaction decreases the C-H bond lengths uniformly by 0.001 Å. The ΔE(CT) term, which accounts for ∼15% of the total binding energy, results in the accumulation of electron density in the interface area between two layers. This accumulated electron density thus acts as an electronic "glue" for the graphane layers and constitutes an important driving force in the self-association and stability of graphane under ambient conditions. Similarly, the "double faced adhesive tape" style of charge transfer interactions was also observed among graphene sheets in which it accounts for ∼18% of the total binding energy. The binding energy between graphane sheets is additive and can be expressed as a sum of CH···HC interactions, or as a function of the number of C-H bonds.

Thermocouple error correction for measuring the flame temperature with determination of emissivity and heat transfer coefficient.

PubMed

Hindasageri, V; Vedula, R P; Prabhu, S V

2013-02-01

Temperature measurement by thermocouples is prone to errors due to conduction and radiation losses and therefore has to be corrected for precise measurement. The temperature dependent emissivity of the thermocouple wires is measured by the use of thermal infrared camera. The measured emissivities are found to be 20%-40% lower than the theoretical values predicted from theory of electromagnetism. A transient technique is employed for finding the heat transfer coefficients for the lead wire and the bead of the thermocouple. This method does not require the data of thermal properties and velocity of the burnt gases. The heat transfer coefficients obtained from the present method have an average deviation of 20% from the available heat transfer correlations in literature for non-reacting convective flow over cylinders and spheres. The parametric study of thermocouple error using the numerical code confirmed the existence of a minimum wire length beyond which the conduction loss is a constant minimal. Temperature of premixed methane-air flames stabilised on 16 mm diameter tube burner is measured by three B-type thermocouples of wire diameters: 0.15 mm, 0.30 mm, and 0.60 mm. The measurements are made at three distances from the burner tip (thermocouple tip to burner tip/burner diameter = 2, 4, and 6) at an equivalence ratio of 1 for the tube Reynolds number varying from 1000 to 2200. These measured flame temperatures are corrected by the present numerical procedure, the multi-element method, and the extrapolation method. The flame temperatures estimated by the two-element method and extrapolation method deviate from numerical results within 2.5% and 4%, respectively.

Thermocouple error correction for measuring the flame temperature with determination of emissivity and heat transfer coefficient

NASA Astrophysics Data System (ADS)

Hindasageri, V.; Vedula, R. P.; Prabhu, S. V.

2013-02-01

Temperature measurement by thermocouples is prone to errors due to conduction and radiation losses and therefore has to be corrected for precise measurement. The temperature dependent emissivity of the thermocouple wires is measured by the use of thermal infrared camera. The measured emissivities are found to be 20%-40% lower than the theoretical values predicted from theory of electromagnetism. A transient technique is employed for finding the heat transfer coefficients for the lead wire and the bead of the thermocouple. This method does not require the data of thermal properties and velocity of the burnt gases. The heat transfer coefficients obtained from the present method have an average deviation of 20% from the available heat transfer correlations in literature for non-reacting convective flow over cylinders and spheres. The parametric study of thermocouple error using the numerical code confirmed the existence of a minimum wire length beyond which the conduction loss is a constant minimal. Temperature of premixed methane-air flames stabilised on 16 mm diameter tube burner is measured by three B-type thermocouples of wire diameters: 0.15 mm, 0.30 mm, and 0.60 mm. The measurements are made at three distances from the burner tip (thermocouple tip to burner tip/burner diameter = 2, 4, and 6) at an equivalence ratio of 1 for the tube Reynolds number varying from 1000 to 2200. These measured flame temperatures are corrected by the present numerical procedure, the multi-element method, and the extrapolation method. The flame temperatures estimated by the two-element method and extrapolation method deviate from numerical results within 2.5% and 4%, respectively.

Comparisons of Aquarius Measurements over Oceans with Radiative Transfer Models at L-Band

NASA Technical Reports Server (NTRS)

Dinnat, E.; LeVine, D.; Abraham, S.; DeMattheis, P.; Utku, C.

2012-01-01

The Aquarius/SAC-D spacecraft includes three L-band (1.4 GHz) radiometers dedicated to measuring sea surface salinity. It was launched in June 2011 by NASA and CONAE (Argentine space agency). We report detailed comparisons of Aquarius measurements with radiative transfer model predictions. These comparisons are used as part of the initial assessment of Aquarius data and to estimate the radiometer calibration bias and stability. Comparisons are also being performed to assess the performance of models used in the retrieval algorithm for correcting the effect of various sources of geophysical "noise" (e.g. Faraday rotation, surface roughness). Such corrections are critical in bringing the error in retrieved salinity down to the required 0.2 practical salinity unit on monthly global maps at 150 km by 150 km resolution.

Harman Measurements for Thermoelectric Materials and Modules under Non-Adiabatic Conditions

NASA Astrophysics Data System (ADS)

Roh, Im-Jun; Lee, Yun Goo; Kang, Min-Su; Lee, Jae-Uk; Baek, Seung-Hyub; Kim, Seong Keun; Ju, Byeong-Kwon; Hyun, Dow-Bin; Kim, Jin-Sang; Kwon, Beomjin

2016-12-01

Accuracy of the Harman measurement largely depends on the heat transfer between the sample and its surroundings, so-called parasitic thermal effects (PTEs). Similar to the material evaluations, measuring thermoelectric modules (TEMs) is also affected by the PTEs especially when measuring under atmospheric condition. Here, we study the correction methods for the Harman measurements with systematically varied samples (both bulk materials and TEMs) at various conditions. Among several PTEs, the heat transfer via electric wires is critical. Thus, we estimate the thermal conductance of the electric wires, and correct the measured properties for a certain sample shape and measuring temperature. The PTEs are responsible for the underestimation of the TEM properties especially under atmospheric conditions (10-35%). This study will be useful to accurately characterize the thermoelectric properties of materials and modules.

The transfer of NIR calibrations for undried grass silage from the laboratory to on-site instruments: comparison of two approaches.

PubMed

Soldado, A; Fearn, T; Martínez-Fernández, A; de la Roza-Delgado, B

2013-02-15

As a first step in a project whose aim is to implement near infrared (NIR) analysis of animal feed on the farm, the present work has examined the possibility of transferring undried grass silage calibrations for dry matter, crude protein, and neutral detergent fiber from a dispersive laboratory NIR instrument (Foss NIRSystem 6500) to a diode array on-site NIR instrument (Zeiss Corona 45 visNIR 1.7). Because the samples are complex and heterogeneous and have high humidity levels it is not easy to establish good calibrations, and it is even more of a challenge to transfer them. By cutting the spectral range to 1100-1650 nm and treating with first or second derivative followed by standard normal variate (SNV) scatter correction, it was possible to obtain very similar spectra from the two instruments. To make the transfer, two approaches were tried. Simply correcting the Corona spectra by subtracting the mean difference spectrum from a transfer set met with only limited success. Making a calibration on the Foss using a calibration set of 503 samples with spectra orthogonalized to the all the difference spectra in the transfer set of 10 samples resulted in a successful transfer for all three calibrations, as judged by performance on two prediction sets of size 22 and 29. Measuring 5 replicate subsamples with the Corona allows it to see a similar surface area to that of 3 replicates in the Foss transport cell, and it is suggested that this is an appropriate level of replication for the Corona. Copyright © 2012 Elsevier B.V. All rights reserved.

Landauer's formula breakdown for radiative heat transfer and nonequilibrium Casimir forces

NASA Astrophysics Data System (ADS)

Rubio López, Adrián E.; Poggi, Pablo M.; Lombardo, Fernando C.; Giannini, Vincenzo

2018-04-01

In this work, we analyze the incidence of the plates' thickness on the Casimir force and radiative heat transfer for a configuration of parallel plates in a nonequilibrium scenario, relating to Lifshitz's and Landauer's formulas. From a first-principles canonical quantization scheme for the study of the matter-field interaction, we give closed-form expressions for the nonequilibrium Casimir force and the heat transfer between plates of thicknesses dL,dR . We distinguish three different contributions to the Casimir force and the heat transfer in the general nonequilibrium situation: two associated with each of the plates and one to the initial state of the field. We analyze the dependence of the Casimir force and heat transfer with the plate thickness (setting dL=dR≡d ), showing the scale at which each magnitude converges to the value of infinite thickness (d →+∞ ) and how to correctly reproduce the nonequilibrium Lifshitz's formula. For the heat transfer, we show that Landauer's formula does not apply to every case (where the three contributions are present), but it is correct for some specific situations. We also analyze the interplay of the different contributions for realistic experimental and nanotechnological conditions, showing the impact of the thickness in the measurements. For small thicknesses (compared to the separation distance), the plates act to decrease the background blackbody flux, while for large thicknesses the heat is given by the baths' contribution only. The combination of these behaviors allows for the possibility, on one hand, of having a tunable minimum in the heat transfer that is experimentally attainable and observable for metals and, on the other hand, of having vanishing heat flux in the gap when those difference are of opposite signs (thermal shielding). These features turns out to be relevant for nanotechnological applications.

Using eddy covariance to measure the dependence of air-sea CO2 exchange rate on friction velocity

NASA Astrophysics Data System (ADS)

Landwehr, Sebastian; Miller, Scott D.; Smith, Murray J.; Bell, Thomas G.; Saltzman, Eric S.; Ward, Brian

2018-03-01

Parameterisation of the air-sea gas transfer velocity of CO2 and other trace gases under open-ocean conditions has been a focus of air-sea interaction research and is required for accurately determining ocean carbon uptake. Ships are the most widely used platform for air-sea flux measurements but the quality of the data can be compromised by airflow distortion and sensor cross-sensitivity effects. Recent improvements in the understanding of these effects have led to enhanced corrections to the shipboard eddy covariance (EC) measurements.Here, we present a revised analysis of eddy covariance measurements of air-sea CO2 and momentum fluxes from the Southern Ocean Surface Ocean Aerosol Production (SOAP) study. We show that it is possible to significantly reduce the scatter in the EC data and achieve consistency between measurements taken on station and with the ship underway. The gas transfer velocities from the EC measurements correlate better with the EC friction velocity (u*) than with mean wind speeds derived from shipboard measurements corrected with an airflow distortion model. For the observed range of wind speeds (u10 N = 3-23 m s-1), the transfer velocities can be parameterised with a linear fit to u*. The SOAP data are compared to previous gas transfer parameterisations using u10 N computed from the EC friction velocity with the drag coefficient from the Coupled Ocean-Atmosphere Response Experiment (COARE) model version 3.5. The SOAP results are consistent with previous gas transfer studies, but at high wind speeds they do not support the sharp increase in gas transfer associated with bubble-mediated transfer predicted by physically based models.

Pectoralis major tendon transfer for the treatment of scapular winging due to long thoracic nerve palsy.

PubMed

Streit, Jonathan J; Lenarz, Christopher J; Shishani, Yousef; McCrum, Christopher; Wanner, J P; Nowinski, R J; Warner, Jon J P; Gobezie, Reuben

2012-05-01

Painful scapular winging due to chronic long thoracic nerve (LTN) palsy is a relatively rare disorder that can be difficult to treat. Pectoralis major tendon (PMT) transfer has been shown to be effective in relieving pain, improving cosmesis, and restoring function. However, the available body of literature consists of few, small-cohort studies, and more outcomes data are needed. Outcomes of 26 consecutive patients with electromyelogram-confirmed LTN palsy who underwent direct (n = 4) or indirect transfer (n = 22) of the PMT for dynamic stabilization of the scapula were reviewed. All patients were followed up clinically for an average of 21.8 months (range, 3-62 months) with evaluations of active forward flexion, active external rotation, American Shoulder and Elbow Surgeons (ASES) score, visual analog scale (VAS) pain score, and observation of scapular winging. Preoperative to postoperative results included increases in the mean active forward flexion from 112° to 149° (P < .001) an in mean active external rotation from 53.8° to 62.8° (P = .045), an improvement in the mean ASES score from 28 to 67.0 (P < .001), and an improvement in the mean VAS pain score from 7.7 to 3.0 (P < .001). Recurrent scapular winging occurred in 5 patients. There was no difference in outcome by length of follow-up. PMT transfer is an effective treatment for painful scapular winging resulting from LTN palsy. This is the largest reported series of consecutive patients treated with PMT transfer for the correction of scapular winging. Copyright © 2012 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Mosby, Inc. All rights reserved.

In vivo proton dosimetry using a MOSFET detector in an anthropomorphic phantom with tissue inhomogeneity.

PubMed

Kohno, Ryosuke; Hotta, Kenji; Matsubara, Kana; Nishioka, Shie; Matsuura, Taeko; Kawashima, Mitsuhiko

2012-03-08

When in vivo proton dosimetry is performed with a metal-oxide semiconductor field-effect transistor (MOSFET) detector, the response of the detector depends strongly on the linear energy transfer. The present study reports a practical method to correct the MOSFET response for linear energy transfer dependence by using a simplified Monte Carlo dose calculation method (SMC). A depth-output curve for a mono-energetic proton beam in polyethylene was measured with the MOSFET detector. This curve was used to calculate MOSFET output distributions with the SMC (SMC(MOSFET)). The SMC(MOSFET) output value at an arbitrary point was compared with the value obtained by the conventional SMC(PPIC), which calculates proton dose distributions by using the depth-dose curve determined by a parallel-plate ionization chamber (PPIC). The ratio of the two values was used to calculate the correction factor of the MOSFET response at an arbitrary point. The dose obtained by the MOSFET detector was determined from the product of the correction factor and the MOSFET raw dose. When in vivo proton dosimetry was performed with the MOSFET detector in an anthropomorphic phantom, the corrected MOSFET doses agreed with the SMC(PPIC) results within the measurement error. To our knowledge, this is the first report of successful in vivo proton dosimetry with a MOSFET detector.

Technical Note: Modification of the standard gain correction algorithm to compensate for the number of used reference flat frames in detector performance studies

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

Konstantinidis, Anastasios C.; Olivo, Alessandro; Speller, Robert D.

2011-12-15

Purpose: The x-ray performance evaluation of digital x-ray detectors is based on the calculation of the modulation transfer function (MTF), the noise power spectrum (NPS), and the resultant detective quantum efficiency (DQE). The flat images used for the extraction of the NPS should not contain any fixed pattern noise (FPN) to avoid contamination from nonstochastic processes. The ''gold standard'' method used for the reduction of the FPN (i.e., the different gain between pixels) in linear x-ray detectors is based on normalization with an average reference flat-field. However, the noise in the corrected image depends on the number of flat framesmore » used for the average flat image. The aim of this study is to modify the standard gain correction algorithm to make it independent on the used reference flat frames. Methods: Many publications suggest the use of 10-16 reference flat frames, while other studies use higher numbers (e.g., 48 frames) to reduce the propagated noise from the average flat image. This study quantifies experimentally the effect of the number of used reference flat frames on the NPS and DQE values and appropriately modifies the gain correction algorithm to compensate for this effect. Results: It is shown that using the suggested gain correction algorithm a minimum number of reference flat frames (i.e., down to one frame) can be used to eliminate the FPN from the raw flat image. This saves computer memory and time during the x-ray performance evaluation. Conclusions: The authors show that the method presented in the study (a) leads to the maximum DQE value that one would have by using the conventional method and very large number of frames and (b) has been compared to an independent gain correction method based on the subtraction of flat-field images, leading to identical DQE values. They believe this provides robust validation of the proposed method.« less

Cardiac gene transfer of short hairpin RNA directed against phospholamban effectively knocks down gene expression but causes cellular toxicity in canines.

PubMed

Bish, Lawrence T; Sleeper, Meg M; Reynolds, Caryn; Gazzara, Jeffrey; Withnall, Elanor; Singletary, Gretchen E; Buchlis, George; Hui, Daniel; High, Katherine A; Gao, Guangping; Wilson, James M; Sweeney, H Lee

2011-08-01

Derangements in calcium cycling have been described in failing hearts, and preclinical studies have suggested that therapies aimed at correcting this defect can lead to improvements in cardiac function and survival. One strategy to improve calcium cycling would be to inhibit phospholamban (PLB), the negative regulator of SERCA2a that is upregulated in failing hearts. The goal of this study was to evaluate the safety and efficacy of using adeno-associated virus (AAV)-mediated cardiac gene transfer of short hairpin RNA (shRNA) to knock down expression of PLB. Six dogs were treated with self-complementary AAV serotype 6 (scAAV6) expressing shRNA against PLB. Three control dogs were treated with empty AAV6 capsid, and two control dogs were treated with scAAV6 expressing dominant negative PLB. Vector was delivered via a percutaneously inserted cardiac injection catheter. PLB mRNA and protein expression were analyzed in three of six shRNA dogs between days 16 and 26. The other three shRNA dogs and five control dogs were monitored long-term to assess cardiac safety. PLB mRNA was reduced 16-fold, and PLB protein was reduced 5-fold, with treatment. Serum troponin elevation and depressed cardiac function were observed in the shRNA group only at 4 weeks. An enzyme-linked immunospot assay failed to detect any T cells reactive to AAV6 capsid in peripheral blood mononuclear cells, heart, or spleen. Microarray analysis revealed alterations in cardiac expression of several microRNAs with shRNA treatment. AAV6-mediated cardiac gene transfer of shRNA effectively knocks down PLB expression but is associated with severe cardiac toxicity. Toxicity may result from dysregulation of endogenous microRNA pathways.

All-in-one light-tunable borated phosphors with chemical and luminescence dynamical control resolution.

PubMed

Lin, Chun Che; Liu, Yun-Ping; Xiao, Zhi Ren; Wang, Yin-Kuo; Cheng, Bing-Ming; Liu, Ru-Shi

2014-06-25

Single-composition white-emitting phosphors with superior intrinsic properties upon excitation by ultraviolet light-emitting diodes are important constituents of next-generation light sources. Borate-based phosphors, such as NaSrBO3:Ce(3+) and NaCaBO3:Ce(3+), have stronger absorptions in the near-ultraviolet region as well as better chemical/physical stability than oxides. Energy transfer effects from sensitizer to activator caused by rare-earth ions are mainly found in the obtained photoluminescence spectra and lifetime. The interactive mechanisms of multiple dopants are ambiguous in most cases. We adjust the doping concentration in NaSrBO3:RE (RE = Ce(3+), Tb(3+), Mn(2+)) to study the energy transfer effects of Ce(3+) to Tb(3+) and Mn(2+) by comparing the experimental data and theoretical calculation. The vacuum-ultraviolet experimental determination of the electronic energy levels for Ce(3+) and Tb(3+) in the borate host regarding the 4f-5d and 4f-4f configurations are described. Evaluation of the Ce(3+)/Mn(2+) intensity ratios as a function of Mn(2+) concentration is based on the analysis of the luminescence dynamical process and fluorescence lifetime measurements. The results closely agree with those directly obtained from the emission spectra. Density functional calculations are performed using the generalized gradient approximation plus an on-site Coulombic interaction correction scheme to investigate the forbidden mechanism of interatomic energy transfer between the NaSrBO3:Ce(3+) and NaSrBO3:Eu(2+) systems. Results indicate that the NaSrBO3:Ce(3+), Tb(3+), and Mn(2+) phosphors can be used as a novel white-emitting component of UV radiation-excited devices.

Toward simulating complex systems with quantum effects

NASA Astrophysics Data System (ADS)

Kenion-Hanrath, Rachel Lynn

Quantum effects like tunneling, coherence, and zero point energy often play a significant role in phenomena on the scales of atoms and molecules. However, the exact quantum treatment of a system scales exponentially with dimensionality, making it impractical for characterizing reaction rates and mechanisms in complex systems. An ongoing effort in the field of theoretical chemistry and physics is extending scalable, classical trajectory-based simulation methods capable of capturing quantum effects to describe dynamic processes in many-body systems; in the work presented here we explore two such techniques. First, we detail an explicit electron, path integral (PI)-based simulation protocol for predicting the rate of electron transfer in condensed-phase transition metal complex systems. Using a PI representation of the transferring electron and a classical representation of the transition metal complex and solvent atoms, we compute the outer sphere free energy barrier and dynamical recrossing factor of the electron transfer rate while accounting for quantum tunneling and zero point energy effects. We are able to achieve this employing only a single set of force field parameters to describe the system rather than parameterizing along the reaction coordinate. Following our success in describing a simple model system, we discuss our next steps in extending our protocol to technologically relevant materials systems. The latter half focuses on the Mixed Quantum-Classical Initial Value Representation (MQC-IVR) of real-time correlation functions, a semiclassical method which has demonstrated its ability to "tune'' between quantum- and classical-limit correlation functions while maintaining dynamic consistency. Specifically, this is achieved through a parameter that determines the quantumness of individual degrees of freedom. Here, we derive a semiclassical correction term for the MQC-IVR to systematically characterize the error introduced by different choices of simulation parameters, and demonstrate the ability of this approach to optimize MQC-IVR simulations.

Cardiac Gene Transfer of Short Hairpin RNA Directed Against Phospholamban Effectively Knocks Down Gene Expression but Causes Cellular Toxicity in Canines

PubMed Central

Sleeper, Meg M.; Reynolds, Caryn; Gazzara, Jeffrey; Withnall, Elanor; Singletary, Gretchen E.; Buchlis, George; Hui, Daniel; High, Katherine A.; Gao, Guangping; Wilson, James M.; Sweeney, H. Lee

2011-01-01

Abstract Derangements in calcium cycling have been described in failing hearts, and preclinical studies have suggested that therapies aimed at correcting this defect can lead to improvements in cardiac function and survival. One strategy to improve calcium cycling would be to inhibit phospholamban (PLB), the negative regulator of SERCA2a that is upregulated in failing hearts. The goal of this study was to evaluate the safety and efficacy of using adeno-associated virus (AAV)-mediated cardiac gene transfer of short hairpin RNA (shRNA) to knock down expression of PLB. Six dogs were treated with self-complementary AAV serotype 6 (scAAV6) expressing shRNA against PLB. Three control dogs were treated with empty AAV6 capsid, and two control dogs were treated with scAAV6 expressing dominant negative PLB. Vector was delivered via a percutaneously inserted cardiac injection catheter. PLB mRNA and protein expression were analyzed in three of six shRNA dogs between days 16 and 26. The other three shRNA dogs and five control dogs were monitored long-term to assess cardiac safety. PLB mRNA was reduced 16-fold, and PLB protein was reduced 5-fold, with treatment. Serum troponin elevation and depressed cardiac function were observed in the shRNA group only at 4 weeks. An enzyme-linked immunospot assay failed to detect any T cells reactive to AAV6 capsid in peripheral blood mononuclear cells, heart, or spleen. Microarray analysis revealed alterations in cardiac expression of several microRNAs with shRNA treatment. AAV6-mediated cardiac gene transfer of shRNA effectively knocks down PLB expression but is associated with severe cardiac toxicity. Toxicity may result from dysregulation of endogenous microRNA pathways. PMID:21542669

Advanced Machine Learning Emulators of Radiative Transfer Models

NASA Astrophysics Data System (ADS)

Camps-Valls, G.; Verrelst, J.; Martino, L.; Vicent, J.

2017-12-01

Physically-based model inversion methodologies are based on physical laws and established cause-effect relationships. A plethora of remote sensing applications rely on the physical inversion of a Radiative Transfer Model (RTM), which lead to physically meaningful bio-geo-physical parameter estimates. The process is however computationally expensive, needs expert knowledge for both the selection of the RTM, its parametrization and the the look-up table generation, as well as its inversion. Mimicking complex codes with statistical nonlinear machine learning algorithms has become the natural alternative very recently. Emulators are statistical constructs able to approximate the RTM, although at a fraction of the computational cost, providing an estimation of uncertainty, and estimations of the gradient or finite integral forms. We review the field and recent advances of emulation of RTMs with machine learning models. We posit Gaussian processes (GPs) as the proper framework to tackle the problem. Furthermore, we introduce an automatic methodology to construct emulators for costly RTMs. The Automatic Gaussian Process Emulator (AGAPE) methodology combines the interpolation capabilities of GPs with the accurate design of an acquisition function that favours sampling in low density regions and flatness of the interpolation function. We illustrate the good capabilities of our emulators in toy examples, leaf and canopy levels PROSPECT and PROSAIL RTMs, and for the construction of an optimal look-up-table for atmospheric correction based on MODTRAN5.

Systemic and Central Nervous System Correction of Lysosomal Storage in Mucopolysaccharidosis Type VII Mice

PubMed Central

Stein, Colleen S.; Ghodsi, Abdi; Derksen, Todd; Davidson, Beverly L.

1999-01-01

Mucopolysaccharidosis (MPS) type VII patients lack functional β-glucuronidase, leading to systemic and central nervous system dysfunction. In this study we tested whether recombinant adenovirus that encodes β-glucuronidase (Adβgluc), delivered intravenously and into the brain parenchyma of MPS type VII mice, could provide long-term transgene expression and correction of lysosomal distension. We also tested whether systemic treatment with the immunosuppressive anti-CD40 ligand antibody, MR-1, affected transgene expression. We found substantial plasma β-glucuronidase activity for over 9 weeks after gene transfer in the MR-1- treated group, with subsequent decline in activity corresponding to a delayed anti-β-glucuronidase antibody response. At 16 weeks, near wild-type amounts of β-glucuronidase activity and striking reduction of lysosomal pathology were detected in livers from mice that had received either MR-1 cotreatment or control antibody. In the lung and kidney, β-glucuronidase activity was markedly higher for the MR-1-treated group. β-Glucuronidase activity in the brain persisted independently of MR-1 treatment. Activity was intense in the injected hemisphere and was also evident in the noninjected cortex and striatum, with dramatic improvements in storage deposits in areas of both hemispheres. These results indicate that prolonged enzyme expression from transgenes delivered to deficient liver and brain can mediate pervasive correction and illustrate the potential for gene therapy of MPS and other lysosomal storage diseases. PMID:10074197

Atmospheric Effect on Remote Sensing of the Earth's Surface

NASA Technical Reports Server (NTRS)

Fraser, R. S.; Kaufman, Y. J. (Principal Investigator)

1985-01-01

Radiative transfer theory (RT) for an atmosphere with a nonuniform surface is the basis for understanding and correcting for the atmospheric effect on remote sensing of surface properties. In the present work the theory is generalized and tested successfully against laboratory and field measurements. There is still a need to generalize the RT approximation for off-nadir directions and to take into account anisotropic reflectance at the surface. The reflectance at the surface. The adjacency effect results in a significant modification of spectral signatures of the surface, and therefore results in modification of classifications, of separability of field classes, and of spatial resolution. For example, the 30 m resolution of the Thematic Mapper is reduced to 100 m by a hazy atmosphere. The adjacency effect depends on several optical parameters of aerosols: optical thickness, depth of aerosol layer, scattering phase function, and absorption. Remote sensing in general depends on these parameter, not just adjacency effects, but they are not known well enough for making accurate atmospheric corrections. It is important to establish methods for estimating these parameters in order to develop correction methods for atmospheric effects. Such estimations can be based on climatological data, which are not available yet, correlations between the optical parameters and meteorological data, and the same satellite measurements of radiances that are used for estimating surface properties. Knowledge about the atmospheric parameters important for remote sensing is being enlarged with current measurements of them.

Congenital hypothyroidism mutations affect common folding and trafficking in the α/β-hydrolase fold proteins

PubMed Central

De Jaco, Antonella; Dubi, Noga; Camp, Shelley; Taylor, Palmer

2017-01-01

The α/β-hydrolase fold superfamily of proteins is composed of structurally related members that, despite great diversity in their catalytic, recognition, adhesion and chaperone functions, share a common fold governed by homologous residues and conserved disulfide bridges. Non-synonymous single nucleotide polymorphisms within the α/β-hydrolase fold domain in various family members have been found for congenital endocrine, metabolic and nervous system disorders. By examining the amino acid sequence from the various proteins, mutations were found to be prevalent in conserved residues within the α/β-hydrolase fold of the homologous proteins. This is the case for the thyroglobulin mutations linked to congenital hypothyroidism. To address whether correct folding of the common domain is required for protein export, we inserted the thyroglobulin mutations at homologous positions in two correlated but simpler α/β-hydrolase fold proteins known to be exported to the cell surface: neuroligin3 and acetylcholinesterase. Here we show that these mutations in the cholinesterase homologous region alter the folding properties of the α/β-hydrolase fold domain, which are reflected in defects in protein trafficking, folding and function, and ultimately result in retention of the partially processed proteins in the endoplasmic reticulum. Accordingly, mutations at conserved residues may be transferred amongst homologous proteins to produce common processing defects despite disparate functions, protein complexity and tissue-specific expression of the homologous proteins. More importantly, a similar assembly of the α/β-hydrolase fold domain tertiary structure among homologous members of the superfamily is required for correct trafficking of the proteins to their final destination. PMID:23035660

Calibration transfer of a Raman spectroscopic quantification method for the assessment of liquid detergent compositions between two at-line instruments installed at two liquid detergent production plants.

PubMed

Brouckaert, D; Uyttersprot, J-S; Broeckx, W; De Beer, T

2017-09-01

Calibration transfer of partial least squares (PLS) quantification models is established between two Raman spectrometers located at two liquid detergent production plants. As full recalibration of existing calibration models is time-consuming, labour-intensive and costly, it is investigated whether the use of mathematical correction methods requiring only a handful of standardization samples can overcome the dissimilarities in spectral response observed between both measurement systems. Univariate and multivariate standardization approaches are investigated, ranging from simple slope/bias correction (SBC), local centring (LC) and single wavelength standardization (SWS) to more complex direct standardization (DS) and piecewise direct standardization (PDS). The results of these five calibration transfer methods are compared reciprocally, as well as with regard to a full recalibration. Four PLS quantification models, each predicting the concentration of one of the four main ingredients in the studied liquid detergent composition, are aimed at transferring. Accuracy profiles are established from the original and transferred quantification models for validation purposes. A reliable representation of the calibration models performance before and after transfer is thus established, based on β-expectation tolerance intervals. For each transferred model, it is investigated whether every future measurement that will be performed in routine will be close enough to the unknown true value of the sample. From this validation, it is concluded that instrument standardization is successful for three out of four investigated calibration models using multivariate (DS and PDS) transfer approaches. The fourth transferred PLS model could not be validated over the investigated concentration range, due to a lack of precision of the slave instrument. Comparing these transfer results to a full recalibration on the slave instrument allows comparison of the predictive power of both Raman systems and leads to the formulation of guidelines for further standardization projects. It is concluded that it is essential to evaluate the performance of the slave instrument prior to transfer, even when it is theoretically identical to the master apparatus. Copyright © 2017 Elsevier B.V. All rights reserved.

Consistent Parameter and Transfer Function Estimation using Context Free Grammars

NASA Astrophysics Data System (ADS)

Klotz, Daniel; Herrnegger, Mathew; Schulz, Karsten

2017-04-01

This contribution presents a method for the inference of transfer functions for rainfall-runoff models. Here, transfer functions are defined as parametrized (functional) relationships between a set of spatial predictors (e.g. elevation, slope or soil texture) and model parameters. They are ultimately used for estimation of consistent, spatially distributed model parameters from a limited amount of lumped global parameters. Additionally, they provide a straightforward method for parameter extrapolation from one set of basins to another and can even be used to derive parameterizations for multi-scale models [see: Samaniego et al., 2010]. Yet, currently an actual knowledge of the transfer functions is often implicitly assumed. As a matter of fact, for most cases these hypothesized transfer functions can rarely be measured and often remain unknown. Therefore, this contribution presents a general method for the concurrent estimation of the structure of transfer functions and their respective (global) parameters. Note, that by consequence an estimation of the distributed parameters of the rainfall-runoff model is also undertaken. The method combines two steps to achieve this. The first generates different possible transfer functions. The second then estimates the respective global transfer function parameters. The structural estimation of the transfer functions is based on the context free grammar concept. Chomsky first introduced context free grammars in linguistics [Chomsky, 1956]. Since then, they have been widely applied in computer science. But, to the knowledge of the authors, they have so far not been used in hydrology. Therefore, the contribution gives an introduction to context free grammars and shows how they can be constructed and used for the structural inference of transfer functions. This is enabled by new methods from evolutionary computation, such as grammatical evolution [O'Neill, 2001], which make it possible to exploit the constructed grammar as a search space for equations. The parametrization of the transfer functions is then achieved through a second optimization routine. The contribution explores different aspects of the described procedure through a set of experiments. These experiments can be divided into three categories: (1) The inference of transfer functions from directly measurable parameters; (2) The estimation of global parameters for given transfer functions from runoff data; and (3) The estimation of sets of completely unknown transfer functions from runoff data. The conducted tests reveal different potentials and limits of the procedure. In concrete it is shown that example (1) and (2) work remarkably well. Example (3) is much more dependent on the setup. In general, it can be said that in that case much more data is needed to derive transfer function estimations, even for simple models and setups. References: - Chomsky, N. (1956): Three Models for the Description of Language. IT IRETr. 2(3), p 113-124 - O'Neil, M. (2001): Grammatical Evolution. IEEE ToEC, Vol.5, No. 4 - Samaniego, L.; Kumar, R.; Attinger, S. (2010): Multiscale parameter regionalization of a grid-based hydrologic model at the mesoscale. WWR, Vol. 46, W05523, doi:10.1029/2008WR007327