Marelli, Damián; Baumgartner, Robert; Majdak, Piotr
2015-01-01
Head-related transfer functions (HRTFs) describe the acoustic filtering of incoming sounds by the human morphology and are essential for listeners to localize sound sources in virtual auditory displays. Since rendering complex virtual scenes is computationally demanding, we propose four algorithms for efficiently representing HRTFs in subbands, i.e., as an analysis filterbank (FB) followed by a transfer matrix and a synthesis FB. All four algorithms use sparse approximation procedures to minimize the computational complexity while maintaining perceptually relevant HRTF properties. The first two algorithms separately optimize the complexity of the transfer matrix associated to each HRTF for fixed FBs. The other two algorithms jointly optimize the FBs and transfer matrices for complete HRTF sets by two variants. The first variant aims at minimizing the complexity of the transfer matrices, while the second one does it for the FBs. Numerical experiments investigate the latency-complexity trade-off and show that the proposed methods offer significant computational savings when compared with other available approaches. Psychoacoustic localization experiments were modeled and conducted to find a reasonable approximation tolerance so that no significant localization performance degradation was introduced by the subband representation. PMID:26681930
Accurate density functional thermochemistry for larger molecules.
Raghavachari, K.; Stefanov, B. B.; Curtiss, L. A.; Lucent Tech.
1997-06-20
Density functional methods are combined with isodesmic bond separation reaction energies to yield accurate thermochemistry for larger molecules. Seven different density functionals are assessed for the evaluation of heats of formation, Delta H 0 (298 K), for a test set of 40 molecules composed of H, C, O and N. The use of bond separation energies results in a dramatic improvement in the accuracy of all the density functionals. The B3-LYP functional has the smallest mean absolute deviation from experiment (1.5 kcal mol/f).
Accurate momentum transfer cross section for the attractive Yukawa potential
Khrapak, S. A.
2014-04-15
Accurate expression for the momentum transfer cross section for the attractive Yukawa potential is proposed. This simple analytic expression agrees with the numerical results better than to within ±2% in the regime relevant for ion-particle collisions in complex (dusty) plasmas.
Comparisons of power transfer functions and flow transfer functions
Grimm, K.N.; Meneghetti, D.
1987-11-15
Transfer functions may be used to calculate component feedbacks or temperature increments by convolution of the transfer function with the appropriate fractional change in system-quantity. Power-change transfer functions have been reported. The corresponding flow transfer functions for this case, and comparison with the power transfer functions, are reported here. Results of feedback simulation of ramped flow transients using flow transfer functions are also described.
Adaptive Transfer Function Networks
Goulding, J.R. |
1993-06-01
Real-time pattern classification and time-series forecasting applications continue to drive artificial neural network (ANN) technology. As ANNs increase in complexity, the throughput of digital computer simulations decreases. A novel ANN, the Adaptive Transfer Function Network (ATF-Net), directly addresses the issue of throughput. ATF-Nets are global mapping equations generated by the superposition of ensembles of neurodes having arbitrary continuous functions receiving encoded input data. ATF-Nets may be implemented on parallel digital computers. An example is presented which illustrates a four-fold increase in computational throughput.
Adaptive Transfer Function Networks
Goulding, J.R. Portland State Univ., OR . Dept. of Electrical Engineering)
1993-01-01
Real-time pattern classification and time-series forecasting applications continue to drive artificial neural network (ANN) technology. As ANNs increase in complexity, the throughput of digital computer simulations decreases. A novel ANN, the Adaptive Transfer Function Network (ATF-Net), directly addresses the issue of throughput. ATF-Nets are global mapping equations generated by the superposition of ensembles of neurodes having arbitrary continuous functions receiving encoded input data. ATF-Nets may be implemented on parallel digital computers. An example is presented which illustrates a four-fold increase in computational throughput.
A spectroscopic transfer standard for accurate atmospheric CO measurements
NASA Astrophysics Data System (ADS)
Nwaboh, Javis A.; Li, Gang; Serdyukov, Anton; Werhahn, Olav; Ebert, Volker
2016-04-01
Atmospheric carbon monoxide (CO) is a precursor of essential climate variables and has an indirect effect for enhancing global warming. Accurate and reliable measurements of atmospheric CO concentration are becoming indispensable. WMO-GAW reports states a compatibility goal of ±2 ppb for atmospheric CO concentration measurements. Therefore, the EMRP-HIGHGAS (European metrology research program - high-impact greenhouse gases) project aims at developing spectroscopic transfer standards for CO concentration measurements to meet this goal. A spectroscopic transfer standard would provide results that are directly traceable to the SI, can be very useful for calibration of devices operating in the field, and could complement classical gas standards in the field where calibration gas mixtures in bottles often are not accurate, available or stable enough [1][2]. Here, we present our new direct tunable diode laser absorption spectroscopy (dTDLAS) sensor capable of performing absolute ("calibration free") CO concentration measurements, and being operated as a spectroscopic transfer standard. To achieve the compatibility goal stated by WMO for CO concentration measurements and ensure the traceability of the final concentration results, traceable spectral line data especially line intensities with appropriate uncertainties are needed. Therefore, we utilize our new high-resolution Fourier-transform infrared (FTIR) spectroscopy CO line data for the 2-0 band, with significantly reduced uncertainties, for the dTDLAS data evaluation. Further, we demonstrate the capability of our sensor for atmospheric CO measurements, discuss uncertainty calculation following the guide to the expression of uncertainty in measurement (GUM) principles and show that CO concentrations derived using the sensor, based on the TILSAM (traceable infrared laser spectroscopic amount fraction measurement) method, are in excellent agreement with gravimetric values. Acknowledgement Parts of this work have been
Automated generation of highly accurate, efficient and transferable pseudopotentials
NASA Astrophysics Data System (ADS)
Hansel, R. A.; Brock, C. N.; Paikoff, B. C.; Tackett, A. R.; Walker, D. G.
2015-11-01
A multi-objective genetic algorithm (MOGA) was used to automate a search for optimized pseudopotential parameters. Pseudopotentials were generated using the atomPAW program and density functional theory (DFT) simulations were conducted using the pwPAW program. The optimized parameters were the cutoff radius and projector energies for the s and p orbitals. The two objectives were low pseudopotential error and low computational work requirements. The error was determined from (1) the root mean square difference between the all-electron and pseudized-electron log derivative, (2) the calculated lattice constant versus reference data of Holzwarth et al., and (3) the calculated bulk modulus versus reference potentials. The computational work was defined as the number of flops required to perform the DFT simulation. Pseudopotential transferability was encouraged by optimizing each element in different lattices: (1) nitrogen in GaN, AlN, and YN, (2) oxygen in NO, ZnO, and SiO4, and (3) fluorine in LiF, NaF, and KF. The optimal solutions were equivalent in error and required significantly less computational work than the reference data. This proof-of-concept study demonstrates that the combination of MOGA and ab-initio simulations is a powerful tool that can generate a set of transferable potentials with a trade-off between accuracy (error) and computational efficiency (work).
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.
Free Flap Functional Muscle Transfers.
Garcia, Ryan M; Ruch, David S
2016-08-01
Free functional muscle transfers remain a powerful reconstructive tool to restore upper extremity function when other options such as tendon or nerve transfers are not available. This reconstructive technique is commonly used for patients following trauma, ischemic contractures, and brachial plexopathies. Variable outcomes have been reported following free functional muscle transfers that are related to motor nerve availability and reinnervation. This article highlights considerations around donor motor nerve selection, dissection, and use of the gracilis muscle, and the surgical approach to performing a free functional muscle transfer to restore elbow flexion and/or digit flexion. PMID:27387083
What's Normal? Accurately and Efficiently Assessing Menstrual Function.
Takemoto, Darcie M; Beharry, Meera S
2015-09-01
Many young women are unsure of what constitutes normal menses. By asking focused questions, pediatric providers can quickly and accurately assess menstrual function and dispel anxiety and myths. In this article, we review signs and symptoms of normal versus pathologic menstrual functioning and provide suggestions to improve menstrual history taking.
Automatic computation of transfer functions
Atcitty, Stanley; Watson, Luke Dale
2015-04-14
Technologies pertaining to the automatic computation of transfer functions for a physical system are described herein. The physical system is one of an electrical system, a mechanical system, an electromechanical system, an electrochemical system, or an electromagnetic system. A netlist in the form of a matrix comprises data that is indicative of elements in the physical system, values for the elements in the physical system, and structure of the physical system. Transfer functions for the physical system are computed based upon the netlist.
3ARM: A Fast, Accurate Radiative Transfer Model for Use in Climate Models
NASA Technical Reports Server (NTRS)
Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.
1996-01-01
A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.
3ARM: A Fast, Accurate Radiative Transfer Model for use in Climate Models
NASA Technical Reports Server (NTRS)
Bergstrom, R. W.; Kinne, S.; Sokolik, I. N.; Toon, O. B.; Mlawer, E. J.; Clough, S. A.; Ackerman, T. P.; Mather, J.
1996-01-01
A new radiative transfer model combining the efforts of three groups of researchers is discussed. The model accurately computes radiative transfer in a inhomogeneous absorbing, scattering and emitting atmospheres. As an illustration of the model, results are shown for the effects of dust on the thermal radiation.
Accurate bs and w testing important for crude-oil custody transfer
Williams, J. )
1990-11-12
This paper discusses how monitoring crude-oil sediment and water content at the field production site is essential in accurate crude-oil custody transfer operations. This is accomplished by manual methods, or on-line devices like capacitance, density, or energy-absorption analyzers. For custody-transfer purposes, sediment and water is determined by a test which follows one of the API manuals of petroleum measurement standards (MPMS). Typically, this test is conducted in the field by the field centrifuge method which, if performed properly, yields very accurate results. Laboratory tests can be performed, but sample handling becomes even more critical.
NASA Astrophysics Data System (ADS)
Kopparla, P.; Natraj, V.; Shia, R. L.; Spurr, R. J. D.; Crisp, D.; Yung, Y. L.
2015-12-01
Radiative transfer (RT) computations form the engine of atmospheric retrieval codes. However, full treatment of RT processes is computationally expensive, prompting usage of two-stream approximations in current exoplanetary atmospheric retrieval codes [Line et al., 2013]. Natraj et al. [2005, 2010] and Spurr and Natraj [2013] demonstrated the ability of a technique using principal component analysis (PCA) to speed up RT computations. In the PCA method for RT performance enhancement, empirical orthogonal functions are developed for binned sets of inherent optical properties that possess some redundancy; costly multiple-scattering RT calculations are only done for those few optical states corresponding to the most important principal components, and correction factors are applied to approximate radiation fields. Kopparla et al. [2015, in preparation] extended the PCA method to a broadband spectral region from the ultraviolet to the shortwave infrared (0.3-3 micron), accounting for major gas absorptions in this region. Here, we apply the PCA method to a some typical (exo-)planetary retrieval problems. Comparisons between the new model, called Universal Principal Component Analysis Radiative Transfer (UPCART) model, two-stream models and line-by-line RT models are performed, for spectral radiances, spectral fluxes and broadband fluxes. Each of these are calculated at the top of the atmosphere for several scenarios with varying aerosol types, extinction and scattering optical depth profiles, and stellar and viewing geometries. We demonstrate that very accurate radiance and flux estimates can be obtained, with better than 1% accuracy in all spectral regions and better than 0.1% in most cases, as compared to a numerically exact line-by-line RT model. The accuracy is enhanced when the results are convolved to typical instrument resolutions. The operational speed and accuracy of UPCART can be further improved by optimizing binning schemes and parallelizing the codes, work
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.
NASA Astrophysics Data System (ADS)
Dong, J. W.; Wang, B.; Gao, C.; Wang, L. J.
2016-09-01
An accurate and fast fiber transfer delay measurement method is demonstrated. As a key technique, a simple ambiguity resolving process based on phase discrimination and frequency measurement is used to overcome the contradiction between measurement accuracy and system complexity. The system achieves a high measurement accuracy of 0.2 ps with a 0.1 ps measurement resolution and a large dynamic range up to 50 km as well as no dead zone.
GORRAM: Introducing accurate operational-speed radiative transfer Monte Carlo solvers
NASA Astrophysics Data System (ADS)
Buras-Schnell, Robert; Schnell, Franziska; Buras, Allan
2016-06-01
We present a new approach for solving the radiative transfer equation in horizontally homogeneous atmospheres. The motivation was to develop a fast yet accurate radiative transfer solver to be used in operational retrieval algorithms for next generation meteorological satellites. The core component is the program GORRAM (Generator Of Really Rapid Accurate Monte-Carlo) which generates solvers individually optimized for the intended task. These solvers consist of a Monte Carlo model capable of path recycling and a representative set of photon paths. Latter is generated using the simulated annealing technique. GORRAM automatically takes advantage of limitations on the variability of the atmosphere. Due to this optimization the number of photon paths necessary for accurate results can be reduced by several orders of magnitude. For the shown example of a forward model intended for an aerosol satellite retrieval, comparison with an exact yet slow solver shows that a precision of better than 1% can be achieved with only 36 photons. The computational time is at least an order of magnitude faster than any other type of radiative transfer solver. Merely the lookup table approach often used in satellite retrieval is faster, but on the other hand suffers from limited accuracy. This makes GORRAM-generated solvers an eligible candidate as forward model in operational-speed retrieval algorithms and data assimilation applications. GORRAM also has the potential to create fast solvers of other integrable equations.
Accurate ionization potential of semiconductors from efficient density functional calculations
NASA Astrophysics Data System (ADS)
Ye, Lin-Hui
2016-07-01
Despite its huge successes in total-energy-related applications, the Kohn-Sham scheme of density functional theory cannot get reliable single-particle excitation energies for solids. In particular, it has not been able to calculate the ionization potential (IP), one of the most important material parameters, for semiconductors. We illustrate that an approximate exact-exchange optimized effective potential (EXX-OEP), the Becke-Johnson exchange, can be used to largely solve this long-standing problem. For a group of 17 semiconductors, we have obtained the IPs to an accuracy similar to that of the much more sophisticated G W approximation (GWA), with the computational cost of only local-density approximation/generalized gradient approximation. The EXX-OEP, therefore, is likely as useful for solids as for finite systems. For solid surfaces, the asymptotic behavior of the vx c has effects similar to those of finite systems which, when neglected, typically cause the semiconductor IPs to be underestimated. This may partially explain why standard GWA systematically underestimates the IPs and why using the same GWA procedures has not been able to get an accurate IP and band gap at the same time.
Wallace, W C; Ghafur, O; Khurmi, C; Sainadh U, Satya; Calvert, J E; Laban, D E; Pullen, M G; Bartschat, K; Grum-Grzhimailo, A N; Wells, D; Quiney, H M; Tong, X M; Litvinyuk, I V; Sang, R T; Kielpinski, D
2016-07-29
Ionization of atoms and molecules in strong laser fields is a fundamental process in many fields of research, especially in the emerging field of attosecond science. So far, demonstrably accurate data have only been acquired for atomic hydrogen (H), a species that is accessible to few investigators. Here, we present measurements of the ionization yield for argon, krypton, and xenon with percent-level accuracy, calibrated using H, in a laser regime widely used in attosecond science. We derive a transferable calibration standard for laser peak intensity, accurate to 1.3%, that is based on a simple reference curve. In addition, our measurements provide a much needed benchmark for testing models of ionization in noble-gas atoms, such as the widely employed single-active electron approximation.
Wallace, W C; Ghafur, O; Khurmi, C; Sainadh U, Satya; Calvert, J E; Laban, D E; Pullen, M G; Bartschat, K; Grum-Grzhimailo, A N; Wells, D; Quiney, H M; Tong, X M; Litvinyuk, I V; Sang, R T; Kielpinski, D
2016-07-29
Ionization of atoms and molecules in strong laser fields is a fundamental process in many fields of research, especially in the emerging field of attosecond science. So far, demonstrably accurate data have only been acquired for atomic hydrogen (H), a species that is accessible to few investigators. Here, we present measurements of the ionization yield for argon, krypton, and xenon with percent-level accuracy, calibrated using H, in a laser regime widely used in attosecond science. We derive a transferable calibration standard for laser peak intensity, accurate to 1.3%, that is based on a simple reference curve. In addition, our measurements provide a much needed benchmark for testing models of ionization in noble-gas atoms, such as the widely employed single-active electron approximation. PMID:27517769
NASA Astrophysics Data System (ADS)
Wallace, W. C.; Ghafur, O.; Khurmi, C.; Sainadh U, Satya; Calvert, J. E.; Laban, D. E.; Pullen, M. G.; Bartschat, K.; Grum-Grzhimailo, A. N.; Wells, D.; Quiney, H. M.; Tong, X. M.; Litvinyuk, I. V.; Sang, R. T.; Kielpinski, D.
2016-07-01
Ionization of atoms and molecules in strong laser fields is a fundamental process in many fields of research, especially in the emerging field of attosecond science. So far, demonstrably accurate data have only been acquired for atomic hydrogen (H), a species that is accessible to few investigators. Here, we present measurements of the ionization yield for argon, krypton, and xenon with percent-level accuracy, calibrated using H, in a laser regime widely used in attosecond science. We derive a transferable calibration standard for laser peak intensity, accurate to 1.3%, that is based on a simple reference curve. In addition, our measurements provide a much needed benchmark for testing models of ionization in noble-gas atoms, such as the widely employed single-active electron approximation.
Wiener Filter Estimation of Transfer Functions
ERIC Educational Resources Information Center
Kessel, Robert
2004-01-01
The use of a Wiener filter estimate for the linear transfer function can significantly improve the description of behavioral dynamics. This report presents a two-pass, Monte-Carlo-based algorithm that is well suited to repeated-trials local average measurements. The Wiener filter transfer functions strongly suppress noise artifacts as well as…
Rational transfer function models for biofilm reactors
Wik, T.; Breitholtz, C.
1998-12-01
Design of controllers and optimization of plants using biofilm reactors often require dynamic models and efficient simulation methods. Standard model assumptions were used to derive nonrational transfer functions describing the fast dynamics of stirred-tank reactors with zero- or first-order reactions inside the biofilm. A method based on the location of singularities was used to derive rational transfer functions that approximate nonrational ones. These transfer functions can be used in efficient simulation routines and in standard methods of controller design. The order of the transfer functions can be chosen in a natural way, and changes in physical parameters may directly be related to changes in the transfer functions. Further, the mass balances used and, hence, the transfer functions, are applicable to catalytic reactors with porous catalysts as well. By applying the methods to a nitrifying trickling filter, reactor parameters are estimated from residence-time distributions and low-order rational transfer functions are achieved. Simulated effluent dynamics, using these transfer functions, agree closely with measurements.
Exponentially accurate approximations to piece-wise smooth periodic functions
NASA Technical Reports Server (NTRS)
Greer, James; Banerjee, Saheb
1995-01-01
A family of simple, periodic basis functions with 'built-in' discontinuities are introduced, and their properties are analyzed and discussed. Some of their potential usefulness is illustrated in conjunction with the Fourier series representations of functions with discontinuities. In particular, it is demonstrated how they can be used to construct a sequence of approximations which converges exponentially in the maximum norm to a piece-wise smooth function. The theory is illustrated with several examples and the results are discussed in the context of other sequences of functions which can be used to approximate discontinuous functions.
Development of highly accurate approximate scheme for computing the charge transfer integral.
Pershin, Anton; Szalay, Péter G
2015-08-21
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the "exact" scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the "exact" calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature. PMID:26298117
Development of highly accurate approximate scheme for computing the charge transfer integral
Pershin, Anton; Szalay, Péter G.
2015-08-21
The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.
A fast and accurate PCA based radiative transfer model: Extension to the broadband shortwave region
NASA Astrophysics Data System (ADS)
Kopparla, Pushkar; Natraj, Vijay; Spurr, Robert; Shia, Run-Lie; Crisp, David; Yung, Yuk L.
2016-04-01
Accurate radiative transfer (RT) calculations are necessary for many earth-atmosphere applications, from remote sensing retrieval to climate modeling. A Principal Component Analysis (PCA)-based spectral binning method has been shown to provide an order of magnitude increase in computational speed while maintaining an overall accuracy of 0.01% (compared to line-by-line calculations) over narrow spectral bands. In this paper, we have extended the PCA method for RT calculations over the entire shortwave region of the spectrum from 0.3 to 3 microns. The region is divided into 33 spectral fields covering all major gas absorption regimes. We find that the RT performance runtimes are shorter by factors between 10 and 100, while root mean square errors are of order 0.01%.
mBEEF: An accurate semi-local Bayesian error estimation density functional
NASA Astrophysics Data System (ADS)
Wellendorff, Jess; Lundgaard, Keld T.; Jacobsen, Karsten W.; Bligaard, Thomas
2014-04-01
We present a general-purpose meta-generalized gradient approximation (MGGA) exchange-correlation functional generated within the Bayesian error estimation functional framework [J. Wellendorff, K. T. Lundgaard, A. Møgelhøj, V. Petzold, D. D. Landis, J. K. Nørskov, T. Bligaard, and K. W. Jacobsen, Phys. Rev. B 85, 235149 (2012)]. The functional is designed to give reasonably accurate density functional theory (DFT) predictions of a broad range of properties in materials physics and chemistry, while exhibiting a high degree of transferability. Particularly, it improves upon solid cohesive energies and lattice constants over the BEEF-vdW functional without compromising high performance on adsorption and reaction energies. We thus expect it to be particularly well-suited for studies in surface science and catalysis. An ensemble of functionals for error estimation in DFT is an intrinsic feature of exchange-correlation models designed this way, and we show how the Bayesian ensemble may provide a systematic analysis of the reliability of DFT based simulations.
Accurate estimators of correlation functions in Fourier space
NASA Astrophysics Data System (ADS)
Sefusatti, E.; Crocce, M.; Scoccimarro, R.; Couchman, H. M. P.
2016-08-01
Efficient estimators of Fourier-space statistics for large number of objects rely on fast Fourier transforms (FFTs), which are affected by aliasing from unresolved small-scale modes due to the finite FFT grid. Aliasing takes the form of a sum over images, each of them corresponding to the Fourier content displaced by increasing multiples of the sampling frequency of the grid. These spurious contributions limit the accuracy in the estimation of Fourier-space statistics, and are typically ameliorated by simultaneously increasing grid size and discarding high-frequency modes. This results in inefficient estimates for e.g. the power spectrum when desired systematic biases are well under per cent level. We show that using interlaced grids removes odd images, which include the dominant contribution to aliasing. In addition, we discuss the choice of interpolation kernel used to define density perturbations on the FFT grid and demonstrate that using higher order interpolation kernels than the standard Cloud-In-Cell algorithm results in significant reduction of the remaining images. We show that combining fourth-order interpolation with interlacing gives very accurate Fourier amplitudes and phases of density perturbations. This results in power spectrum and bispectrum estimates that have systematic biases below 0.01 per cent all the way to the Nyquist frequency of the grid, thus maximizing the use of unbiased Fourier coefficients for a given grid size and greatly reducing systematics for applications to large cosmological data sets.
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo.
Zulfikri, Habiburrahman; Amovilli, Claudio; Filippi, Claudia
2016-03-01
We introduce a novel class of local multideterminant Jastrow-Slater wave functions for the efficient and accurate treatment of excited states in quantum Monte Carlo. The wave function is expanded as a linear combination of excitations built from multiple sets of localized orbitals that correspond to the bonding patterns of the different Lewis resonance structures of the molecule. We capitalize on the concept of orbital domains of local coupled-cluster methods, which is here applied to the active space to select the orbitals to correlate and construct the important transitions. The excitations are further grouped into classes, which are ordered in importance and can be systematically included in the Jastrow-Slater wave function to ensure a balanced description of all states of interest. We assess the performance of the proposed wave function in the calculation of vertical excitation energies and excited-state geometry optimization of retinal models whose π → π* state has a strong intramolecular charge-transfer character. We find that our multiresonance wave functions recover the reference values of the total energies of the ground and excited states with only a small number of excitations and that the same expansion can be flexibly used at very different geometries. Furthermore, significant computational saving can also be gained in the orbital optimization step by selectively mixing occupied and virtual orbitals based on spatial considerations without loss of accuracy on the excitation energy. Our multiresonance wave functions are therefore compact, accurate, and very promising for the calculation of multiple excited states of different character in large molecules.
Transfer Function Control for Biometric Monitoring System
NASA Technical Reports Server (NTRS)
Chmiel, Alan J. (Inventor); Humphreys, Bradley T. (Inventor); Grodinsky, Carlos M. (Inventor)
2015-01-01
A modular apparatus for acquiring biometric data may include circuitry operative to receive an input signal indicative of a biometric condition, the circuitry being configured to process the input signal according to a transfer function thereof and to provide a corresponding processed input signal. A controller is configured to provide at least one control signal to the circuitry to programmatically modify the transfer function of the modular system to facilitate acquisition of the biometric data.
Nerve Transfers to Restore Shoulder Function.
Leechavengvongs, Somsak; Malungpaishorpe, Kanchai; Uerpairojkit, Chairoj; Ng, Chye Yew; Witoonchart, Kiat
2016-05-01
The restoration of shoulder function after brachial plexus injury represents a significant challenge facing the peripheral nerve surgeons. This is owing to a combination of the complex biomechanics of the shoulder girdle, the multitude of muscles and nerves that could be potentially injured, and a limited number of donor options. In general, nerve transfer is favored over tendon transfer, because the biomechanics of the musculotendinous units are not altered. This article summarizes the surgical techniques and clinical results of nerve transfers for restoration of shoulder function. PMID:27094888
Free Functional Muscle Transfers to Restore Upper Extremity Function.
Krauss, Emily M; Tung, Thomas H; Moore, Amy M
2016-05-01
Free functional muscle transfer provides an option for functional restoration when nerve reconstruction and tendon transfers are not feasible. To ensure a successful outcome, many factors need to be optimized, including proper patient selection, timing of intervention, donor muscle and motor nerve selection, optimal microneurovascular technique and tension setting, proper postoperative management, and appropriate rehabilitation. Functional outcomes of various applications to the upper extremity and the authors' algorithm for the use of free functional muscle transfer are also included in this article. PMID:27094895
Optical transfer function of Starlette retroreflector array
NASA Technical Reports Server (NTRS)
Arnold, D. A.
1975-01-01
An optical transfer function was computed for the retroreflector array carried by the Starlette satellite (1975 10A). The range correction is given for extrapolating laser range measurements to the center of mass of the satellite. The gain function and active reflecting area of the array are computed for estimating laser-echo signal strengths.
Pavanello, Michele; Van Voorhis, Troy; Visscher, Lucas; Neugebauer, Johannes
2013-02-07
Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.
Enhancements to the SSME transfer function modeling code
NASA Technical Reports Server (NTRS)
Irwin, R. Dennis; Mitchell, Jerrel R.; Bartholomew, David L.; Glenn, Russell D.
1995-01-01
effort to filter out high frequency characteristics. The fourth method removes the presumed system excitation and its harmonics in order to investigate the effects of the excitation on the modeling process. The fifth method is an attempt to apply constrained RID to obtain better transfer functions through more accurate modeling over certain frequency ranges. Section 4 presents some new C main files which were created to round out the functionality of the existing SSME transfer function modeling code. It is now possible to go from time data to transfer function models using only the C codes; it is not necessary to rely on external software. The new C main files and instructions for their use are included. Section 5 presents current and future enhancements to the XPLOT graphics program which was delivered with the initial software. Several new features which have been added to the program are detailed in the first part of this section. The remainder of Section 5 then lists some possible features which may be added in the future. Section 6 contains the conclusion section of this report. Section 6.1 is an overview of the work including a summary and observations relating to finding transfer functions with the SSME code. Section 6.2 contains information relating to future work on the project.
Exploring the transferability of safety performance functions.
Farid, Ahmed; Abdel-Aty, Mohamed; Lee, Jaeyoung; Eluru, Naveen; Wang, Jung-Han
2016-09-01
Safety performance functions (SPFs), by predicting the number of crashes on roadway facilities, have been a vital tool in the highway safety area. The SPFs are typically applied for identifying hot spots in network screening and evaluating the effectiveness of road safety countermeasures. The Highway Safety Manual (HSM) provides a series of SPFs for several crash types by various roadway facilities. The SPFs, provided in the HSM, were developed using data from multiple states. In regions without local jurisdiction based SPFs it is common practice to adopt national SPFs for crash prediction. There has been little research to examine the viability of such national level models for local jurisdictions. Towards understanding the influence of SPF transferability, we examine the rural divided multilane highway models from Florida, Ohio, and California. Traffic, roadway geometry and crash data from the three states are employed to estimate single-state SPFs, two-state SPFs and three-state SPFs. The SPFs are estimated using the negative binomial model formulation for several crash types and severities. To evaluate transferability of models, we estimate a transfer index that allows us to understand which models transfer adequately to other regions. The results indicate that models from Florida and California seem to be more transferable compared to models from Ohio. More importantly, we observe that the transfer index increases when we used pooled data (from two or three states). Finally, to assist in model transferability, we propose a Modified Empirical Bayes (MEB) measure that provides segment specific calibration factors for transferring SPFs to local jurisdictions. The proposed measure is shown to outperform the HSM calibration factor for transferring SPFs. PMID:27322637
Energy Transfer and a Recurring Mathematical Function
ERIC Educational Resources Information Center
Atkin, Keith
2013-01-01
This paper extends the interesting work of a previous contributor concerning the analogies between physical phenomena such as mechanical collisions and the transfer of power in an electric circuit. Emphasis is placed on a mathematical function linking these different areas of physics. This unifying principle is seen as an exciting opportunity to…
Strictly positive real transfer functions revisited
NASA Technical Reports Server (NTRS)
Lozano-Leal, Rogelio; Joshi, Suresh M.
1990-01-01
The two most commonly used definitions of strictly positive real (SPR) transfer functions are reviewed. Contrary to what has been suggested in the literature, it is proven that the least restrictive (weak) definition of the two is clearly related to the Yacubovich-Kalman lemma. The relationship between time- and frequency-domain conditions pertaining to the weak definition of SPR systems is established.
NASA Astrophysics Data System (ADS)
Guerlet, Sandrine; Spiga, A.; Sylvestre, M.; Fouchet, T.; Millour, E.; Wordsworth, R.; Leconte, J.; Forget, F.
2013-10-01
Recent observations of Saturn’s stratospheric thermal structure and composition revealed new phenomena: an equatorial oscillation in temperature, reminiscent of the Earth's Quasi-Biennal Oscillation ; strong meridional contrasts of hydrocarbons ; a warm “beacon” associated with the powerful 2010 storm. Those signatures cannot be reproduced by 1D photochemical and radiative models and suggest that atmospheric dynamics plays a key role. This motivated us to develop a complete 3D General Circulation Model (GCM) for Saturn, based on the LMDz hydrodynamical core, to explore the circulation, seasonal variability, and wave activity in Saturn's atmosphere. In order to closely reproduce Saturn's radiative forcing, a particular emphasis was put in obtaining fast and accurate radiative transfer calculations. Our radiative model uses correlated-k distributions and spectral discretization tailored for Saturn's atmosphere. We include internal heat flux, ring shadowing and aerosols. We will report on the sensitivity of the model to spectral discretization, spectroscopic databases, and aerosol scenarios (varying particle sizes, opacities and vertical structures). We will also discuss the radiative effect of the ring shadowing on Saturn's atmosphere. We will present a comparison of temperature fields obtained with this new radiative equilibrium model to that inferred from Cassini/CIRS observations. In the troposphere, our model reproduces the observed temperature knee caused by heating at the top of the tropospheric aerosol layer. In the lower stratosphere (20mbar
NASA Astrophysics Data System (ADS)
Sun, Yuansheng; Periasamy, Ammasi
2010-03-01
Förster resonance energy transfer (FRET) microscopy is commonly used to monitor protein interactions with filter-based imaging systems, which require spectral bleedthrough (or cross talk) correction to accurately measure energy transfer efficiency (E). The double-label (donor+acceptor) specimen is excited with the donor wavelength, the acceptor emission provided the uncorrected FRET signal and the donor emission (the donor channel) represents the quenched donor (qD), the basis for the E calculation. Our results indicate this is not the most accurate determination of the quenched donor signal as it fails to consider the donor spectral bleedthrough (DSBT) signals in the qD for the E calculation, which our new model addresses, leading to a more accurate E result. This refinement improves E comparisons made with lifetime and spectral FRET imaging microscopy as shown here using several genetic (FRET standard) constructs, where cerulean and venus fluorescent proteins are tethered by different amino acid linkers.
Transfer function bounds on the performance of turbo codes
NASA Technical Reports Server (NTRS)
Divsalar, D.; Dolinar, S.; Pollara, F.; Mceliece, R. J.
1995-01-01
In this article we apply transfer function bounding techniques to obtain upper bounds on the bit-error rate for maximum likelihood decoding of turbo codes constructed with random permutations. These techniques are applied to two turbo codes with constraint length 3 and later extended to other codes. The performance predicted by these bounds is compared with simulation results. The bounds are useful in estimating the 'error floor' that is difficult to measure by simulation, and they provide insight on how to lower this floor. More refined bounds are needed for accurate performance measures at lower signal-to-noise ratios.
Transfer function analysis of thermospheric perturbations
NASA Technical Reports Server (NTRS)
Mayr, H. G.; Harris, I.; Varosi, F.; Herrero, F. A.; Spencer, N. W.
1986-01-01
Applying perturbation theory, a spectral model in terms of vectors spherical harmonics (Legendre polynomials) is used to describe the short term thermospheric perturbations originating in the auroral regions. The source may be Joule heating, particle precipitation or ExB ion drift-momentum coupling. A multiconstituent atmosphere is considered, allowing for the collisional momentum exchange between species including Ar, O2, N2, O, He and H. The coupled equations of energy, mass and momentum conservation are solved simultaneously for the major species N2 and O. Applying homogeneous boundary conditions, the integration is carred out from the Earth's surface up to 700 km. In the analysis, the spherical harmonics are treated as eigenfunctions, assuming that the Earth's rotation (and prevailing circulation) do not significantly affect perturbations with periods which are typically much less than one day. Under these simplifying assumptions, and given a particular source distribution in the vertical, a two dimensional transfer function is constructed to describe the three dimensional response of the atmosphere. In the order of increasing horizontal wave numbers (order of polynomials), this transfer function reveals five components. To compile the transfer function, the numerical computations are very time consuming (about 100 hours on a VAX for one particular vertical source distribution). However, given the transfer function, the atmospheric response in space and time (using Fourier integral representation) can be constructed with a few seconds of a central processing unit. This model is applied in a case study of wind and temperature measurements on the Dynamics Explorer B, which show features characteristic of a ringlike excitation source in the auroral oval. The data can be interpreted as gravity waves which are focused (and amplified) in the polar region and then are reflected to propagate toward lower latitudes.
Measuring Dynamic Transfer Functions of Cavitating Pumps
NASA Technical Reports Server (NTRS)
Baun, Daniel
2007-01-01
A water-flow test facility has been built to enable measurement of dynamic transfer functions (DTFs) of cavitating pumps and of inducers in such pumps. Originally, the facility was intended for use in an investigation of the effects of cavitation in a rocket-engine low-pressure oxygen turbopump. The facility can also be used to measure DTFs of cavitating pumps in general
Multiple functions of microsomal triglyceride transfer protein
2012-01-01
Microsomal triglyceride transfer protein (MTP) was first identified as a major cellular protein capable of transferring neutral lipids between membrane vesicles. Its role as an essential chaperone for the biosynthesis of apolipoprotein B (apoB)-containing triglyceride-rich lipoproteins was established after the realization that abetalipoproteinemia patients carry mutations in the MTTP gene resulting in the loss of its lipid transfer activity. Now it is known that it also plays a role in the biosynthesis of CD1, glycolipid presenting molecules, as well as in the regulation of cholesterol ester biosynthesis. In this review, we will provide a historical perspective about the identification, purification and characterization of MTP, describe methods used to measure its lipid transfer activity, and discuss tissue expression and function. Finally, we will review the role MTP plays in the assembly of apoB-lipoprotein, the regulation of cholesterol ester synthesis, biosynthesis of CD1 proteins and propagation of hepatitis C virus. We will also provide a brief overview about the clinical potentials of MTP inhibition. PMID:22353470
Contextual Control by Function and Form of Transfer of Functions
ERIC Educational Resources Information Center
Perkins, David R.; Dougher, Michael J.; Greenway, David E.
2007-01-01
This study investigated conditions leading to contextual control by stimulus topography over transfer of functions. Three 4-member stimulus equivalence classes, each consisting of four (A, B, C, D) topographically distinct visual stimuli, were established for 5 college students. Across classes, designated A stimuli were open-ended linear figures,…
Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry
NASA Astrophysics Data System (ADS)
Tao, Jianmin; Mo, Yuxiang
2016-08-01
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.
Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.
Tao, Jianmin; Mo, Yuxiang
2016-08-12
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.
Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.
Tao, Jianmin; Mo, Yuxiang
2016-08-12
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals. PMID:27563956
Phase transfer function of digital imaging systems
NASA Astrophysics Data System (ADS)
Bhakta, Vikrant R.
For the past several decades, optical engineering has relied heavily on Fourier analysis of linear systems as a valuable aid in realizing numerous imaging applications. Today, spatial frequency analysis via the optical transfer function (OTF) remains an integral tool for the design, characterization and testing of incoherent imaging systems. The magnitude of the complex OTF is known as the modulation transfer function (MTF) and its phase is given by the phase transfer function (PTF). The MTF represents the contrast reduction at each spatial frequency; whereas, the PTF represents the spatial shift of these frequencies. While the MTF has been used extensively to characterize imaging systems, the PTF has long been ignored because it was thought to have an insignificant presence and to be difficult to understand and measure. Through theoretical analysis and experimental demonstrations, this work addresses all of these issues and shows that the PTF is a valuable tool for modern-day digital imaging systems. The effects of optical aberrations on the PTF of an imaging system in the absence of aliasing have been analyzed in detail. However, for the digital imaging systems, the effect of aliasing on the overall system behavior becomes an important consideration. To this end, the effects of aliasing on the PTF of the sampled imaging system are described and its key properties are derived. The role of PTF as an essential metric in today's imaging systems necessitates practical PTF measurement techniques. Two, easy-to-implement, image-based methods for PTF measurement are described and experimentally validated. These measurement methods and the insights gained from the theoretical analysis are leveraged for several applications spanning diverse fields such as optical system characterization, computational imaging, and image processing.
Accurate FDTD modelling for dispersive media using rational function and particle swarm optimisation
NASA Astrophysics Data System (ADS)
Chung, Haejun; Ha, Sang-Gyu; Choi, Jaehoon; Jung, Kyung-Young
2015-07-01
This article presents an accurate finite-difference time domain (FDTD) dispersive modelling suitable for complex dispersive media. A quadratic complex rational function (QCRF) is used to characterise their dispersive relations. To obtain accurate coefficients of QCRF, in this work, we use an analytical approach and a particle swarm optimisation (PSO) simultaneously. In specific, an analytical approach is used to obtain the QCRF matrix-solving equation and PSO is applied to adjust a weighting function of this equation. Numerical examples are used to illustrate the validity of the proposed FDTD dispersion model.
Partially coherent contrast-transfer-function approximation.
Nesterets, Yakov I; Gureyev, Timur E
2016-04-01
The contrast-transfer-function (CTF) approximation, widely used in various phase-contrast imaging techniques, is revisited. CTF validity conditions are extended to a wide class of strongly absorbing and refracting objects, as well as to nonuniform partially coherent incident illumination. Partially coherent free-space propagators, describing amplitude and phase in-line contrast, are introduced and their properties are investigated. The present results are relevant to the design of imaging experiments with partially coherent sources, as well as to the analysis and interpretation of the corresponding images. PMID:27140752
Pressure Transfer Functions for Interfacial Fluids Problems
NASA Astrophysics Data System (ADS)
Chen, Robin Ming; Hur, Vera Mikyoung; Walsh, Samuel
2016-06-01
We make a consistent derivation, from the governing equations, of the pressure transfer function in the small-amplitude Stokes wave regime and the hydrostatic approximation in the small-amplitude solitary water wave regime, in the presence of a background shear flow. The results agree with the well-known formulae in the zero vorticity case, but they incorporate the effects of vorticity through solutions to the Rayleigh equation. We extend the results to permit continuous density stratification and to internal waves between two constant-density fluids. Several examples are discussed.
Orbit Maneuver Compensation of KAGUYA for Its Safe and Accurate Lunar Transfer
NASA Astrophysics Data System (ADS)
Kawakatsu, Yasuhiro; Terada, Hiroshi; Matsuoka, Masatoshi; Ohnishi, Takafumi
Reported in this paper are the results of the orbit maneuver compensation in KAGUYA's Lunar transfer. Because of the uncoupled allocation of the attitude control thrusters, extra velocity increment (δv ) is induced whenever KAGUYA performs an orbit maneuver. Since the observed level of δv was unacceptable range from the point of maneuver accuracy requirement, it was compensated by means of deducting estimated δv from the orbit maneuver command. The δv estimation model was updated step-by-step during the Lunar transfer, which leaded to significant improvement of the orbit maneuver accuracy and resulted in the omission of the last trajectory correction maneuver. The method of the compensation and its results are introduced in detail.
Computer method for identification of boiler transfer functions
NASA Technical Reports Server (NTRS)
Miles, J. H.
1972-01-01
Iterative computer aided procedure was developed which provides for identification of boiler transfer functions using frequency response data. Method uses frequency response data to obtain satisfactory transfer function for both high and low vapor exit quality data.
More accurate fitting of {sup 125}I and {sup 103}Pd radial dose functions
Taylor, R. E. P.; Rogers, D. W. O.
2008-09-15
In this study an improved functional form for fitting the radial dose functions, g(r), of {sup 125}I and {sup 103}Pd brachytherapy seeds is presented. The new function is capable of accurately fitting radial dose functions over ranges as large as 0.05 cm{<=}r{<=}10 cm for {sup 125}I seeds and 0.10 cm{<=}r{<=}10 cm for {sup 103}Pd seeds. The average discrepancies between fit and calculated data are less than 0.5% over the full range of fit and maximum discrepancies are 2% or less. The fitting function is also capable of accounting for the sharp increase in g(r) (upturn) seen for some sources for r<0.1 cm. This upturn has previously been attributed to the breakdown of the approximation of the sources as a line, however, in this study we demonstrate that another contributing factor is the 4.5 keV characteristic x-rays emitted from the Ti seed casing. Radial dose functions are calculated for 18 {sup 125}I seeds and 9 {sup 103}Pd seeds using the EGSnrc Monte Carlo user-code BrachyDose. Fitting coefficients of the new function are tabulated for all 27 seeds. Extrapolation characteristics of the function are also investigated. The new functional form is an improvement over currently used fitting functions with its main strength being the ability to accurately fit the rapidly varying radial dose function at small distances. The new function is an excellent candidate for fitting the radial dose function of all {sup 103}Pd and {sup 125}I brachytherapy seeds and will increase the accuracy of dose distributions calculated around brachytherapy seeds using the TG-43 protocol over a wider range of data. More accurate values of g(r) for r<0.5 cm may be particularly important in the treatment of ocular melanoma.
Unbiased rigid registration using transfer functions
NASA Astrophysics Data System (ADS)
Hahn, Dieter A.; Hornegger, Joachim; Bautz, Werner; Kuwert, Torsten; Roemer, Wolfgang
2005-04-01
The evaluation of tumor growth as regression under therapy is an important clinical issue. Rigid registration of sequentially acquired 3D-images has proven its value for this purpose. Existing approaches to rigid image registration use the whole volume for the estimation of the rigid transform. Non-rigid soft tissue deformation, however, will imply a bias to the registration result, because local deformations cannot be modeled by rigid transforms. Anatomical substructures, like bones or teeth, are not affected by these deformations, but follow a rigid transform. This important observation is incorporated in the proposed registration algorithm. The selection of anatomical substructure is done by manual interaction of medical experts adjusting the transfer function of the volume rendering software. The parameters of the transfer function are used to identify the voxels that are considered for registration. A rigid transform is estimated by a quaternion gradient descent algorithm based on the intensity values of the specified tissue classes. Commonly used voxel intensity measures are adjusted to the modified registration algorithm. The contribution describes the mathematical framework of the proposed registration method and its implementation in a commercial software package. The experimental evaluation includes the discussion of different similarity measures, the comparison of the proposed method to established rigid registration techniques and the evaluation of the efficiency of the new method. We conclude with the discussion of potential medical applications of the proposed registration algorithm.
Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura
2016-02-01
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. PMID:26794241
Woods: A fast and accurate functional annotator and classifier of genomic and metagenomic sequences.
Sharma, Ashok K; Gupta, Ankit; Kumar, Sanjiv; Dhakan, Darshan B; Sharma, Vineet K
2015-07-01
Functional annotation of the gigantic metagenomic data is one of the major time-consuming and computationally demanding tasks, which is currently a bottleneck for the efficient analysis. The commonly used homology-based methods to functionally annotate and classify proteins are extremely slow. Therefore, to achieve faster and accurate functional annotation, we have developed an orthology-based functional classifier 'Woods' by using a combination of machine learning and similarity-based approaches. Woods displayed a precision of 98.79% on independent genomic dataset, 96.66% on simulated metagenomic dataset and >97% on two real metagenomic datasets. In addition, it performed >87 times faster than BLAST on the two real metagenomic datasets. Woods can be used as a highly efficient and accurate classifier with high-throughput capability which facilitates its usability on large metagenomic datasets. PMID:25863333
NASA Astrophysics Data System (ADS)
Skone, Jonathan; Govoni, Marco; Galli, Giulia
Dielectric-dependent hybrid [DDH] functionals have recently been shown to yield highly accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than standard GW calculations. The fraction of exact exchange included in the definition of DDH functionals depends (self-consistently) on the dielectric constant of the material. In the present talk we introduce a range-separated (RS) version of DDH functionals where short and long-range components are matched using material dependent, non-empirical parameters. Comparing with state of the art GW calculations and experiment, we show that such RS hybrids yield accurate electronic properties of both molecules and solids, including energy gaps, photoelectron spectra and absolute ionization potentials. This work was supported by NSF-CCI Grant Number NSF-CHE-0802907 and DOE-BES.
The Evolution of a More Rigorous Approach to Benefit Transfer: Benefit Function Transfer
NASA Astrophysics Data System (ADS)
Loomis, John B.
1992-03-01
The desire for economic values of recreation for unstudied recreation resources dates back to the water resource development benefit-cost analyses of the early 1960s. Rather than simply applying existing estimates of benefits per trip to the study site, a fairly rigorous approach was developed by a number of economists. This approach involves application of travel cost demand equations and contingent valuation benefit functions from existing sites to the new site. In this way the spatial market of the new site (i.e., its differing own price, substitute prices and population distribution) is accounted for in the new estimate of total recreation benefits. The assumptions of benefit transfer from recreation sites in one state to another state for the same recreation activity is empirically tested. The equality of demand coefficients for ocean sport salmon fishing in Oregon versus Washington and for freshwater steelhead fishing in Oregon versus Idaho is rejected. Thus transfer of either demand equations or average benefits per trip are likely to be in error. Using the Oregon steelhead equation, benefit transfers to rivers within the state are shown to be accurate to within 5-15%.
Toward Transfer Functions for Land Surface Phenologies
NASA Astrophysics Data System (ADS)
Henebry, G. M.
2010-12-01
A key problem in projecting future landscapes is simulating the associated land surface phenologies (or LSPs). A recent study of land surface models concluded that the representations of crop phenologies among the models diverged sufficiently to impede a useful intercomparison of simulation results from their associated climate models. Grassland phenologies are far more complicated than cropland phenologies due to multiple forcing factors, photosynthetic pathways (C3 vs C4), and spatial heterogeneities in both resource availabilities and land management practices. Furthermore, many tallgrass species (such as switchgrass) are widely distributed across temperature, but not moisture, gradients, resulting in significant ecotypic variation across the species' geographic range. Thus, how feasible is "transplanting" tallgrass LSPs across isotherms—but along isohyets—to simulate a shift in cultivation from maize-soy to switchgrass? Prior work has shown a quadratic model can provide a parsimonious link between a Normalized Difference Vegetation Index (or NDVI) time series and thermal time, measured in terms of accumulated growing degree-days (or AGDD). Moreover, the thermal time to peak NDVI (or TTP) is a simple function of the parameter coefficients of fitted model. I fitted quadratic models to MODIS NDVI and weather station data at multiple sites across the Northern Great Plains over ten growing seasons, 2000-2009. There is a strong latitudinal gradient in TTP that results in part from a quasi-linear gradient in accumulated daylight hours (or ADH) between 30 and 50 degrees north. However, AGDD improves upon ADH by providing sensitivity to the variability of growing season weather. In the quadratic parameter coefficients there is a geographic pattern apparent as a function of TTP, although it is more variable at shorter TTPs. Using these patterns, an LSP transfer function was implemented along a latitudinal transect to simulate switchgrass cultivation in areas now
Robust algorithm for estimation of time-varying transfer functions.
Zou, Rui; Chon, Ki H
2004-02-01
We introduce a new method to estimate reliable time-varying (TV) transfer functions (TFs) and TV impulse response functions. The method is based on TV autoregressive moving average models in which the TV parameters are accurately obtained using the optimal parameter search method which we have previously developed. The new method is more accurate than the recursive least-squares (RLS), and remains robust even in the case of significant noise contamination. Furthermore, the new method is able to track dynamics that change abruptly, which is certainly a deficiency of the RLS. Application of the new method to renal blood pressure and flow revealed that hypertensive rats undergo more complex and TV autoregulation in maintaining stable blood flow than do normotensive rats. This observation has not been previously revealed using time-invariant TF analyses. The newly developed approach may promote the broader use of TV system identification in studies of physiological systems and makes linear and nonlinear TV modeling possible in certain cases previously thought intractable. PMID:14765694
NASA Astrophysics Data System (ADS)
Peng, Liang-You; Gong, Qihuang
2010-12-01
The accurate computations of hydrogenic continuum wave functions are very important in many branches of physics such as electron-atom collisions, cold atom physics, and atomic ionization in strong laser fields, etc. Although there already exist various algorithms and codes, most of them are only reliable in a certain ranges of parameters. In some practical applications, accurate continuum wave functions need to be calculated at extremely low energies, large radial distances and/or large angular momentum number. Here we provide such a code, which can generate accurate hydrogenic continuum wave functions and corresponding Coulomb phase shifts at a wide range of parameters. Without any essential restrict to angular momentum number, the present code is able to give reliable results at the electron energy range [10,10] eV for radial distances of [10,10] a.u. We also find the present code is very efficient, which should find numerous applications in many fields such as strong field physics. Program summaryProgram title: HContinuumGautchi Catalogue identifier: AEHD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHD_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1233 No. of bytes in distributed program, including test data, etc.: 7405 Distribution format: tar.gz Programming language: Fortran90 in fixed format Computer: AMD Processors Operating system: Linux RAM: 20 MBytes Classification: 2.7, 4.5 Nature of problem: The accurate computation of atomic continuum wave functions is very important in many research fields such as strong field physics and cold atom physics. Although there have already existed various algorithms and codes, most of them can only be applicable and reliable in a certain range of parameters. We present here an accurate FORTRAN program for
Zhang, Ying; Xu, Xin; Goddard, William A.
2009-01-01
We develop and validate a density functional, XYG3, based on the adiabatic connection formalism and the Görling–Levy coupling-constant perturbation expansion to the second order (PT2). XYG3 is a doubly hybrid functional, containing 3 mixing parameters. It has a nonlocal orbital-dependent component in the exchange term (exact exchange) plus information about the unoccupied Kohn–Sham orbitals in the correlation part (PT2 double excitation). XYG3 is remarkably accurate for thermochemistry, reaction barrier heights, and nonbond interactions of main group molecules. In addition, the accuracy remains nearly constant with system size. PMID:19276116
SIFTER search: a web server for accurate phylogeny-based protein function prediction.
Sahraeian, Sayed M; Luo, Kevin R; Brenner, Steven E
2015-07-01
We are awash in proteins discovered through high-throughput sequencing projects. As only a minuscule fraction of these have been experimentally characterized, computational methods are widely used for automated annotation. Here, we introduce a user-friendly web interface for accurate protein function prediction using the SIFTER algorithm. SIFTER is a state-of-the-art sequence-based gene molecular function prediction algorithm that uses a statistical model of function evolution to incorporate annotations throughout the phylogenetic tree. Due to the resources needed by the SIFTER algorithm, running SIFTER locally is not trivial for most users, especially for large-scale problems. The SIFTER web server thus provides access to precomputed predictions on 16 863 537 proteins from 232 403 species. Users can explore SIFTER predictions with queries for proteins, species, functions, and homologs of sequences not in the precomputed prediction set. The SIFTER web server is accessible at http://sifter.berkeley.edu/ and the source code can be downloaded.
Transfer Function Design for Scientific Discovery
Jian Huang
2008-12-08
As computation scales beyond terascale, the scientific problems under study through computing are increasingly pushing the boundaries of human knowledge about the physical world. It is more pivotal than ever to quickly and reliably extract new knowledge from these complex simulations of ultra scale. In this project, the PI expanded the traditional notion of transfer function, which maps physical quantities to visual cues via table look-ups, to include general temporal as well as multivariate patterns that can be described procedurally through specialty mini programming languages. Their efforts aimed at answering a perpetual question of fundamental importance. That is "what a visualization should show". Instead of waiting for application scientists to initiate the process, the team at University of Tennessee worked closely with scientists at ORNL in a proactive role to envision and design elegant, powerful, and reliable tools that a user can use to specify "what is interesting". Their new techniques include visualization operators that revolve around correlation and graph properties, relative patterns in statistical distribution, temporal regular expressions, concurrent attribute subspaces and traditional compound boolean range queries. The team also paid special attention to ensure that all visualization operators are inherently designed with great parallel scalability to handle tera-scale datasets in both homogeneous and heterogeneous environments. Success has been demonstrated with leading edge computational science areas include climate modeling, combustion and systems genetics.
Atmospheric modulation transfer function in the infrared
NASA Astrophysics Data System (ADS)
Buskila, Kobi; Towito, Shay; Shmuel, Elad; Levi, Ran; Kopeika, Natan; Krapels, Keith; Driggers, Ronald G.; Vollmerhausen, Richard H.; Halford, Carl E.
2004-01-01
In high-resolution ultranarrow field-of-view thermal imagers, image quality over relatively long path lengths is typically limited by atmospheric degradation, especially atmospheric blur. We report our results and analyses of infrared images from two sites, Fort A. P. Hill and Aberdeen Proving Ground. The images are influenced by the various atmospheric phenomena: scattering, absorption, and turbulence. A series of experiments with high-resolution equipment in both the 3-5- and 8-13-μm regions at the two locations indicate that, as in the visible, image quality is limited much more by atmosphere than by the instrumentation for ranges even of the order of only a few kilometers. For paths close to the ground, turbulence is more dominant, whereas for paths involving higher average elevation, aerosol modulation transfer function (MTF) is dominant. As wavelength increases, turbulence MTF also increases, thus permitting aerosol MTF to become more dominant. A critical role in aerosol MTF in the thermal infrared is attributed to absorption, which noticeably decreases atmospheric transmission much more than in the visible, thereby reducing high-spatial-frequency aerosol MTF. These measurements indicate that atmospheric MTF should be a basic component in imaging system design and analysis even in the infrared, especially as higher-resolution hardware becomes available.
Atmospheric modulation transfer function in the infrared.
Buskila, Kobi; Towito, Shay; Shmuel, Elad; Levi, Ran; Kopeika, Natan; Krapels, Keith; Driggers, Ronald G; Vollmerhausen, Richard H; Halford, Carl E
2004-01-10
In high-resolution ultranarrow field-of-view thermal imagers, image quality over relatively long path lengths is typically limited by atmospheric degradation, especially atmospheric blur. We report our results and analyses of infrared images from two sites, Fort A. P. Hill and Aberdeen Proving Ground. The images are influenced by the various atmospheric phenomena: scattering, absorption, and turbulence. A series of experiments with high-resolution equipment in both the 3-5- and 8-13-microm regions at the two locations indicate that, as in the visible, image quality is limited much more by atmosphere than by the instrumentation for ranges even of the order of only a few kilometers. For paths close to the ground, turbulence is more dominant, whereas for paths involving higher average elevation, aerosol modulation transfer function (MTF) is dominant. As wavelength increases, turbulence MTF also increases, thus permitting aerosol MTF to become more dominant. A critical role in aerosol MTF in the thermal infrared is attributed to absorption, which noticeably decreases atmospheric transmission much more than in the visible, thereby reducing high-spatial-frequency aerosol MTF. These measurements indicate that atmospheric MTF should be a basic component in imaging system design and analysis even in the infrared, especially as higher-resolution hardware becomes available.
The Modulation Transfer Function for Speech Intelligibility
Elliott, Taffeta M.; Theunissen, Frédéric E.
2009-01-01
We systematically determined which spectrotemporal modulations in speech are necessary for comprehension by human listeners. Speech comprehension has been shown to be robust to spectral and temporal degradations, but the specific relevance of particular degradations is arguable due to the complexity of the joint spectral and temporal information in the speech signal. We applied a novel modulation filtering technique to recorded sentences to restrict acoustic information quantitatively and to obtain a joint spectrotemporal modulation transfer function for speech comprehension, the speech MTF. For American English, the speech MTF showed the criticality of low modulation frequencies in both time and frequency. Comprehension was significantly impaired when temporal modulations <12 Hz or spectral modulations <4 cycles/kHz were removed. More specifically, the MTF was bandpass in temporal modulations and low-pass in spectral modulations: temporal modulations from 1 to 7 Hz and spectral modulations <1 cycles/kHz were the most important. We evaluated the importance of spectrotemporal modulations for vocal gender identification and found a different region of interest: removing spectral modulations between 3 and 7 cycles/kHz significantly increases gender misidentifications of female speakers. The determination of the speech MTF furnishes an additional method for producing speech signals with reduced bandwidth but high intelligibility. Such compression could be used for audio applications such as file compression or noise removal and for clinical applications such as signal processing for cochlear implants. PMID:19266016
Kim, K.T.; Lee, J.G.; Quay, B.D.; Santavicca, D.A.
2010-09-15
The present paper describes a methodology to improve the accuracy of prediction of the eigenfrequencies and growth rates of self-induced instabilities and demonstrates its application to a laboratory-scale, swirl-stabilized, lean-premixed, gas turbine combustor. The influence of the spatial heat release distribution is accounted for using local flame transfer function (FTF) measurements. The two-microphone technique and CH{sup *} chemiluminescence intensity measurements are used to determine the input (inlet velocity perturbation) and the output functions (heat release oscillation), respectively, for the local flame transfer functions. The experimentally determined local flame transfer functions are superposed using the flame transfer function superposition principle, and the result is incorporated into an analytic thermoacoustic model, in order to predict the linear stability characteristics of a given system. Results show that when the flame length is not acoustically compact the model prediction calculated using the local flame transfer functions is better than the prediction made using the global flame transfer function. In the case of a flame in the compact flame regime, accurate predictions of eigenfrequencies and growth rates can be obtained using the global flame transfer function. It was also found that the general response characteristics of the local FTF (gain and phase) are qualitatively the same as those of the global FTF. (author)
Suto, Noriko; Harada, Makoto; Izutsu, Jun; Nagao, Toshiyasu
2006-07-01
In order to accurately estimate the geomagnetic transfer functions in the area of the volcano Mt. Iwate (IWT), we applied the interstation transfer function (ISTF) method to the three-component geomagnetic field data observed at Mt. Iwate station (IWT), using the Kakioka Magnetic Observatory, JMA (KAK) as remote reference station. Instead of the conventional Fourier transform, in which temporary transient noises badly degrade the accuracy of long term properties, continuous wavelet transform has been used. The accuracy of the results was as high as that of robust estimations of transfer functions obtained by the Fourier transform method. This would provide us with possibilities for routinely monitoring the transfer functions, without sophisticated statistical procedures, to detect changes in the underground electrical conductivity structure. PMID:25792780
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.
Application of the spectrally integrated Voigt function to line-by-line radiative transfer modelling
NASA Astrophysics Data System (ADS)
Quine, B. M.; Abrarov, S. M.
2013-09-01
We show that a new approach based on the spectrally integrated Voigt function (SIVF) enables the computation of line-by-line (LBL) radiative transfer at reduced spectral resolution without loss of accuracy. The algorithm provides rapid and accurate computation of area under the Voigt function in a way that preserves spectral radiance and, consequently, radiant intensity. The error analysis we provide shows the high-accuracy of the proposed SIVF approximations. A comparison of the performance of the method with that of the traditional LBL approach is presented. Motivations for the use and advantage of the SIVF as a replacement for conventional line function computations in radiative transfer are discussed.
Accurate evaluation of the angular-dependent direct correlation function of water
NASA Astrophysics Data System (ADS)
Zhao, Shuangliang; Liu, Honglai; Ramirez, Rosa; Borgis, Daniel
2013-07-01
The direct correlation function (DCF) plays a pivotal role in addressing the thermodynamic properties with non-mean-field statistical theories of liquid state. This work provides an accurate yet efficient calculation procedure for evaluating the angular-dependent DCF of bulk SPC/E water. The DCF here represented in a discrete angles basis is computed with two typical steps: the first step involves solving the molecular Ornstein-Zernike equation with the input of total correlation function extracted from simulation; the resultant DCF is then polished in second step at small wavelength for all orientations in order to match correct thermodynamic properties. This function is also discussed in terms of its rotational invariant components. In particular, we show that the component c112(r) that accounts for dipolar symmetry reaches already its long-range asymptotic behavior at a short distance of 4 Å. With the knowledge of DCF, the angular-dependent bridge function of bulk water is thereafter computed and discussed in comparison with referenced hard-sphere bridge functions. We conclude that, even though such hard-sphere bridge functions may be relevant to improve the calculation of Helmholtz free energies in integral equations or density functional theory, they are doomed to fail at a structural level.
NASA Astrophysics Data System (ADS)
Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L.; Perdew, John P.
2016-09-01
One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science.
Do Bond Functions Help for the Calculation of Accurate Bond Energies?
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Arnold, James (Technical Monitor)
1998-01-01
The bond energies of 8 chemically bound diatomics are computed using several basis sets with and without bond functions (BF). The bond energies obtained using the aug-pVnZ+BF basis sets (with a correction for basis set superposition error, BSSE) tend to be slightly smaller that the results obtained using the aug-pV(n+I)Z basis sets, but slightly larger than the BSSE corrected aug-pV(n+I)Z results. The aug-cc-pVDZ+BF and aug-cc-pVTZ+BF basis sets yield reasonable estimates of bond energies, but, in most cases, these results cannot be considered highly accurate. Extrapolation of the results obtained with basis sets including bond functions appears to be inferior to the results obtained by extrapolation using atom-centered basis sets. Therefore bond functions do not appear to offer a path for obtaining highly accurate results for chemically bound systems at a lower computational cost than atom centered basis sets.
Sun, Jianwei; Remsing, Richard C; Zhang, Yubo; Sun, Zhaoru; Ruzsinszky, Adrienn; Peng, Haowei; Yang, Zenghui; Paul, Arpita; Waghmare, Umesh; Wu, Xifan; Klein, Michael L; Perdew, John P
2016-09-01
One atom or molecule binds to another through various types of bond, the strengths of which range from several meV to several eV. Although some computational methods can provide accurate descriptions of all bond types, those methods are not efficient enough for many studies (for example, large systems, ab initio molecular dynamics and high-throughput searches for functional materials). Here, we show that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) within the density functional theory framework predicts accurate geometries and energies of diversely bonded molecules and materials (including covalent, metallic, ionic, hydrogen and van der Waals bonds). This represents a significant improvement at comparable efficiency over its predecessors, the GGAs that currently dominate materials computation. Often, SCAN matches or improves on the accuracy of a computationally expensive hybrid functional, at almost-GGA cost. SCAN is therefore expected to have a broad impact on chemistry and materials science. PMID:27554409
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Dateo, Christopher E.; Schwenke, David W.; Chaban, Galina M.
2005-01-01
Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.
Brandenburg, Jan Gerit; Caldeweyher, Eike; Grimme, Stefan
2016-06-21
We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. While the excellent performance of the global hybrid is maintained for small covalently bound molecules, its performance for computed condensed phase mass densities is further improved. Most importantly, a speed up of 30 to 50% can be achieved and especially for small orbital energy gap cases, the method is numerically much more robust. The latter point is important for many applications, e.g., for metal-organic frameworks, organic semiconductors, or protein structures. This enables an accurate density functional based electronic structure calculation of a full DNA helix structure on a single core desktop computer which is presented as an example in addition to comprehensive benchmark results. PMID:27240749
Accurate determination of renal function in patients with intestinal urinary diversions
McDougal, W.S.; Koch, M.O.
1986-06-01
The regular determination of renal function is a critical part of the management of patients who have had the urinary tract reconstructed with intestinal segments. These intestinal segments reabsorb urinary solutes and, thereby, complicate the determination of renal function by conventional methods. Urinary clearances of urea, creatinine and inulin were performed in patients with intestinal segments in the urinary tract and controls under varying diuretic conditions. Patients with intestinal diversions also underwent radioisotopic determination of renal function. The urinary clearances of urea, creatinine and inulin are highly dependent on the rate of urine flow in patients with intestinal segments in the urinary tract. Diuresis maximizes the urinary clearances of these solutes by minimizing intestinal reabsorption. Creatinine clearance prediction from the serum creatinine underestimates true glomerular filtration rate. Radioisotopic determination of renal function correlates poorly with true glomerular filtration rate. Only creatinine clearance measured under diuretic conditions correlates well with true renal function. Urine concentrating ability cannot be assessed accurately in patients with intestinal segments in the urinary tract, since osmolality rapidly equilibrates across the segments.
SIFTER search: a web server for accurate phylogeny-based protein function prediction
Sahraeian, Sayed M.; Luo, Kevin R.; Brenner, Steven E.
2015-05-15
We are awash in proteins discovered through high-throughput sequencing projects. As only a minuscule fraction of these have been experimentally characterized, computational methods are widely used for automated annotation. Here, we introduce a user-friendly web interface for accurate protein function prediction using the SIFTER algorithm. SIFTER is a state-of-the-art sequence-based gene molecular function prediction algorithm that uses a statistical model of function evolution to incorporate annotations throughout the phylogenetic tree. Due to the resources needed by the SIFTER algorithm, running SIFTER locally is not trivial for most users, especially for large-scale problems. The SIFTER web server thus provides access tomore » precomputed predictions on 16 863 537 proteins from 232 403 species. Users can explore SIFTER predictions with queries for proteins, species, functions, and homologs of sequences not in the precomputed prediction set. Lastly, the SIFTER web server is accessible at http://sifter.berkeley.edu/ and the source code can be downloaded.« less
SIFTER search: a web server for accurate phylogeny-based protein function prediction.
Sahraeian, Sayed M; Luo, Kevin R; Brenner, Steven E
2015-07-01
We are awash in proteins discovered through high-throughput sequencing projects. As only a minuscule fraction of these have been experimentally characterized, computational methods are widely used for automated annotation. Here, we introduce a user-friendly web interface for accurate protein function prediction using the SIFTER algorithm. SIFTER is a state-of-the-art sequence-based gene molecular function prediction algorithm that uses a statistical model of function evolution to incorporate annotations throughout the phylogenetic tree. Due to the resources needed by the SIFTER algorithm, running SIFTER locally is not trivial for most users, especially for large-scale problems. The SIFTER web server thus provides access to precomputed predictions on 16 863 537 proteins from 232 403 species. Users can explore SIFTER predictions with queries for proteins, species, functions, and homologs of sequences not in the precomputed prediction set. The SIFTER web server is accessible at http://sifter.berkeley.edu/ and the source code can be downloaded. PMID:25979264
SIFTER search: a web server for accurate phylogeny-based protein function prediction
Sahraeian, Sayed M.; Luo, Kevin R.; Brenner, Steven E.
2015-05-15
We are awash in proteins discovered through high-throughput sequencing projects. As only a minuscule fraction of these have been experimentally characterized, computational methods are widely used for automated annotation. Here, we introduce a user-friendly web interface for accurate protein function prediction using the SIFTER algorithm. SIFTER is a state-of-the-art sequence-based gene molecular function prediction algorithm that uses a statistical model of function evolution to incorporate annotations throughout the phylogenetic tree. Due to the resources needed by the SIFTER algorithm, running SIFTER locally is not trivial for most users, especially for large-scale problems. The SIFTER web server thus provides access to precomputed predictions on 16 863 537 proteins from 232 403 species. Users can explore SIFTER predictions with queries for proteins, species, functions, and homologs of sequences not in the precomputed prediction set. Lastly, the SIFTER web server is accessible at http://sifter.berkeley.edu/ and the source code can be downloaded.
Transfer function concept for ultrasonic characterization of material microstructures
NASA Technical Reports Server (NTRS)
Vary, A.; Kautz, H. E.
1986-01-01
The approach given depends on treating material microstructures as elastomechanical filters that have analytically definable transfer functions. These transfer functions can be defined in terms of the frequency dependence of the ultrasonic attenuation coefficient. The transfer function concept provides a basis for synthesizing expressions that characterize polycrystalline materials relative to microstructural factors such as mean grain size, grain-size distribution functions, and grain boundary energy transmission. Although the approach is nonrigorous, it leads to a rational basis for combining the previously mentioned diverse and fragmented equations for ultrasonic attenuation coefficients.
Functional Knowledge Transfer for High-accuracy Prediction of Under-studied Biological Processes
Rowland, Jessica; Guan, Yuanfang; Bongo, Lars A.; Burdine, Rebecca D.; Troyanskaya, Olga G.
2013-01-01
A key challenge in genetics is identifying the functional roles of genes in pathways. Numerous functional genomics techniques (e.g. machine learning) that predict protein function have been developed to address this question. These methods generally build from existing annotations of genes to pathways and thus are often unable to identify additional genes participating in processes that are not already well studied. Many of these processes are well studied in some organism, but not necessarily in an investigator's organism of interest. Sequence-based search methods (e.g. BLAST) have been used to transfer such annotation information between organisms. We demonstrate that functional genomics can complement traditional sequence similarity to improve the transfer of gene annotations between organisms. Our method transfers annotations only when functionally appropriate as determined by genomic data and can be used with any prediction algorithm to combine transferred gene function knowledge with organism-specific high-throughput data to enable accurate function prediction. We show that diverse state-of-art machine learning algorithms leveraging functional knowledge transfer (FKT) dramatically improve their accuracy in predicting gene-pathway membership, particularly for processes with little experimental knowledge in an organism. We also show that our method compares favorably to annotation transfer by sequence similarity. Next, we deploy FKT with state-of-the-art SVM classifier to predict novel genes to 11,000 biological processes across six diverse organisms and expand the coverage of accurate function predictions to processes that are often ignored because of a dearth of annotated genes in an organism. Finally, we perform in vivo experimental investigation in Danio rerio and confirm the regulatory role of our top predicted novel gene, wnt5b, in leftward cell migration during heart development. FKT is immediately applicable to many bioinformatics techniques and will
Perfect function transfer in two and three dimensions without initialization
Wu Lianao; Byrd, Mark; Wang, Z. D.; Shao Bin
2010-11-15
We find analytic models that can perfectly transfer, without state initialization or remote collaboration, arbitrary functions in two- and three-dimensional interacting bosonic and fermionic networks. This provides for the possible experimental implementation of state transfer through bosonic or fermionic atoms trapped in optical lattices. A significant finding is that the state of a spin qubit can be perfectly transferred through a fermionic system. Families of Hamiltonians are described that are related to the linear models and that enable the perfect transfer of arbitrary functions. Furthermore, we propose methods for eliminating certain types of errors.
NASA Astrophysics Data System (ADS)
Jolivet, L.; Cohen, M.; Ruas, A.
2015-08-01
Landscape influences fauna movement at different levels, from habitat selection to choices of movements' direction. Our goal is to provide a development frame in order to test simulation functions for animal's movement. We describe our approach for such simulations and we compare two types of functions to calculate trajectories. To do so, we first modelled the role of landscape elements to differentiate between elements that facilitate movements and the ones being hindrances. Different influences are identified depending on landscape elements and on animal species. Knowledge were gathered from ecologists, literature and observation datasets. Second, we analysed the description of animal movement recorded with GPS at fine scale, corresponding to high temporal frequency and good location accuracy. Analysing this type of data provides information on the relation between landscape features and movements. We implemented an agent-based simulation approach to calculate potential trajectories constrained by the spatial environment and individual's behaviour. We tested two functions that consider space differently: one function takes into account the geometry and the types of landscape elements and one cost function sums up the spatial surroundings of an individual. Results highlight the fact that the cost function exaggerates the distances travelled by an individual and simplifies movement patterns. The geometry accurate function represents a good bottom-up approach for discovering interesting areas or obstacles for movements.
Determining A Purely Symbolic Transfer Function from Symbol Streams: Theory and Algorithms
Griffin, Christopher H
2008-01-01
Transfer function modeling is a \\emph{standard technique} in classical Linear Time Invariant and Statistical Process Control. The work of Box and Jenkins was seminal in developing methods for identifying parameters associated with classical $(r,s,k)$ transfer functions. Discrete event systems are often \\emph{used} for modeling hybrid control structures and high-level decision problems. \\emph{Examples include} discrete time, discrete strategy repeated games. For these games, a \\emph{discrete transfer function in the form of} an accurate hidden Markov model of input-output relations \\emph{could be used to derive optimal response strategies.} In this paper, we develop an algorithm \\emph{for} creating probabilistic \\textit{Mealy machines} that act as transfer function models for discrete event dynamic systems (DEDS). Our models are defined by three parameters, $(l_1, l_2, k)$ just as the Box-Jenkins transfer function models. Here $l_1$ is the maximal input history lengths to consider, $l_2$ is the maximal output history lengths to consider and $k$ is the response lag. Using related results, We show that our Mealy machine transfer functions are optimal in the sense that they maximize the mutual information between the current known state of the DEDS and the next observed input/output pair.
High Ulnar Nerve Injuries: Nerve Transfers to Restore Function.
Patterson, Jennifer Megan M
2016-05-01
Peripheral nerve injuries are challenging problems. Nerve transfers are one of many options available to surgeons caring for these patients, although they do not replace tendon transfers, nerve graft, or primary repair in all patients. Distal nerve transfers for the treatment of high ulnar nerve injuries allow for a shorter reinnervation period and improved ulnar intrinsic recovery, which are critical to function of the hand. PMID:27094893
Toward an Accurate Density-Functional Tight-Binding Description of Zinc-Containing Compounds.
Moreira, Ney H; Dolgonos, Grygoriy; Aradi, Bálint; da Rosa, Andreia L; Frauenheim, Thomas
2009-03-10
An extended self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for Zn-X (X = H, C, N, O, S, and Zn) interactions has been derived. The performance of this new parametrization has been validated by calculating the structural and energetic properties of zinc solid phases such as bulk Zn, ZnO, and ZnS; ZnO surfaces and nanostructures; adsorption of small species (H, CO2, and NH3) on ZnO surfaces; and zinc-containing complexes mimicking the biological environment. Our results show that the derived parameters are universal and fully transferable, describing all the above-mentioned systems with accuracies comparable to those of first-principles DFT results. PMID:26610226
Arsac, L M; Belli, A; Lacour, J R
1996-01-01
A friction loaded cycle ergometer was instrumented with a strain gauge and an incremental encoder to obtain accurate measurement of human mechanical work output during the acceleration phase of a cycling sprint. This device was used to characterise muscle function in a group of 15 well-trained male subjects, asked to perform six short maximal sprints on the cycle against a constant friction load. Friction loads were successively set at 0.25, 0.35, 0.45, 0.55, 0.65 and 0.75 N.kg-1 body mass. Since the sprints were performed from a standing start, and since the acceleration was not restricted, the greatest attention was paid to the measurement of the acceleration balancing load due to flywheel inertia. Instantaneous pedalling velocity (v) and power output (P) were calculated each 5 ms and then averaged over each downstroke period so that each pedal downstroke provided a combination of v, force and P. Since an 8-s acceleration phase was composed of about 21 to 34 pedal downstrokes, this many v-P combinations were obtained amounting to 137-180 v-P combinations for all six friction loads in one individual, over the widest functional range of pedalling velocities (17-214 rpm). Thus, the individual's muscle function was characterised by the v-P relationships obtained during the six acceleration phases of the six sprints. An important finding of the present study was a strong linear relationship between individual optimal velocity (vopt) and individual maximal power output (Pmax) (n = 15, r = 0.95, P < 0.001) which has never been observed before. Since vopt has been demonstrated to be related to human fibre type composition both vopt, Pmax and their inter-relationship could represent a major feature in characterising muscle function in maximal unrestricted exercise. It is suggested that the present method is well suited to such analyses.
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 16 Commercial Practices 2 2014-01-01 2014-01-01 false Transfer of functions. 1750.2 Section 1750.2 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION REFRIGERATOR SAFETY ACT REGULATIONS STANDARD FOR DEVICES TO PERMIT THE OPENING OF HOUSEHOLD REFRIGERATOR DOORS FROM THE INSIDE § 1750.2 Transfer...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 16 Commercial Practices 2 2010-01-01 2010-01-01 false Transfer of functions. 1750.2 Section 1750.2 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION REFRIGERATOR SAFETY ACT REGULATIONS STANDARD FOR DEVICES TO PERMIT THE OPENING OF HOUSEHOLD REFRIGERATOR DOORS FROM THE INSIDE § 1750.2 Transfer...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2012 CFR
2012-01-01
... 16 Commercial Practices 2 2012-01-01 2012-01-01 false Transfer of functions. 1750.2 Section 1750.2 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION REFRIGERATOR SAFETY ACT REGULATIONS STANDARD FOR DEVICES TO PERMIT THE OPENING OF HOUSEHOLD REFRIGERATOR DOORS FROM THE INSIDE § 1750.2 Transfer...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 16 Commercial Practices 2 2013-01-01 2013-01-01 false Transfer of functions. 1750.2 Section 1750.2 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION REFRIGERATOR SAFETY ACT REGULATIONS STANDARD FOR DEVICES TO PERMIT THE OPENING OF HOUSEHOLD REFRIGERATOR DOORS FROM THE INSIDE § 1750.2 Transfer...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 16 Commercial Practices 2 2011-01-01 2011-01-01 false Transfer of functions. 1750.2 Section 1750.2 Commercial Practices CONSUMER PRODUCT SAFETY COMMISSION REFRIGERATOR SAFETY ACT REGULATIONS STANDARD FOR DEVICES TO PERMIT THE OPENING OF HOUSEHOLD REFRIGERATOR DOORS FROM THE INSIDE § 1750.2 Transfer...
Assessment of Institutional Effectiveness in Community Colleges: The Transfer Function.
ERIC Educational Resources Information Center
Seybert, Jeffrey A.; And Others
In order to measure the effectiveness of Johnson County Community College's (JCCC's) transfer function and to examine an overall approach to research on institutional effectiveness, this paper applies Jeffrey A. Seybert's (1990) Effectiveness Assertiveness Matrix (EAM) to a transfer follow-up survey conducted at JCCC (Kansas) and to a 1984-85…
Elias, Mady; Elias, Georges
2004-04-01
The auxiliary function method consists of taking full advantage of the expansion of the phase function on spherical harmonics in order to deduce an integral equation from the radiative transfer equation. In contrast to the discrete-ordinate method, it is free of the channel concept, the unknowns being a function only of the optical depth. After presenting the method, we show that it is very accurate and particularly well fitted when the scattering medium is continuously inhomogeneous in albedo and phase function and also for sublayers with different refractive index.
Goodpaster, Jason D.; Barnes, Taylor A.; Miller, Thomas F.; Manby, Frederick R.
2014-05-14
We analyze the sources of error in quantum embedding calculations in which an active subsystem is treated using wavefunction methods, and the remainder using density functional theory. We show that the embedding potential felt by the electrons in the active subsystem makes only a small contribution to the error of the method, whereas the error in the nonadditive exchange-correlation energy dominates. We test an MP2 correction for this term and demonstrate that the corrected embedding scheme accurately reproduces wavefunction calculations for a series of chemical reactions. Our projector-based embedding method uses localized occupied orbitals to partition the system; as with other local correlation methods, abrupt changes in the character of the localized orbitals along a reaction coordinate can lead to discontinuities in the embedded energy, but we show that these discontinuities are small and can be systematically reduced by increasing the size of the active region. Convergence of reaction energies with respect to the size of the active subsystem is shown to be rapid for all cases where the density functional treatment is able to capture the polarization of the environment, even in conjugated systems, and even when the partition cuts across a double bond.
NASA Astrophysics Data System (ADS)
Sun, Jianwei
The accuracy and computational efficiency of the widely used Kohn-Sham density functional theory (DFT) are limited by the approximation to its exchange-correlation energy Exc. The earliest local density approximation (LDA) overestimates the strengths of all bonds near equilibrium (even the vdW bonds). By adding the electron density gradient to model Exc, generalized gradient approximations (GGAs) generally soften the bonds to give robust and overall more accurate descriptions, except for the vdW interaction which is largely lost. Further improvement for covalent, ionic, and hydrogen bonds can be obtained by the computationally more expensive hybrid GGAs, which mix GGAs with the nonlocal exact exchange. Meta-GGAs are still semilocal in computation and thus efficient. Compared to GGAs, they add the kinetic energy density that enables them to recognize and accordingly treat different bonds, which no LDA or GGA can. We show here that the recently developed non-empirical strongly constrained and appropriately normed (SCAN) meta-GGA improves significantly over LDA and the standard Perdew-Burke-Ernzerhof GGA for geometries and energies of diversely-bonded materials (including covalent, metallic, ionic, hydrogen, and vdW bonds) at comparable efficiency. Often SCAN matches or improves upon the accuracy of a hybrid functional, at almost-GGA cost. This work has been supported by NSF under DMR-1305135 and CNS-09-58854, and by DOE BES EFRC CCDM under DE-SC0012575.
Braat, Joseph J M; Janssen, Augustus J E M
2015-06-01
The three-dimensional frequency transfer function for optical imaging systems was introduced by Frieden in the 1960s. The analysis of this function and its partly back-transformed functions (two-dimensional and one-dimensional optical transfer functions) in the case of an ideal or aberrated imaging system has received relatively little attention in the literature. Regarding ideal imaging systems with an incoherently illuminated object volume, we present analytic expressions for the classical two-dimensional x-y-transfer function in a defocused plane, for the axial z-transfer function in the presence of defocusing and for the x-z-transfer function in the presence of a lateral shift δy with respect to the imaged pattern in the x-z-plane. For an aberrated imaging system we use the common expansion of the aberrated pupil function with the aid of Zernike polynomials. It is shown that the line integral appearing in Frieden's three-dimensional transfer function can be evaluated for aberrated systems using a relationship established first by Cormack between the line integral of a Zernike polynomial over a full chord of the unit disk and a Chebyshev polynomial of the second kind. Some new developments in the theory of Zernike polynomials from the last decade allow us to present explicit expressions for the line integral in the case of a weakly aberrated imaging system. We outline a similar, but more complicated, analytic scheme for the case of severely aberrated systems.
Luan, Xiaoli; Chen, Qiang; Liu, Fei
2014-09-01
This article presents a new scheme to design full matrix controller for high dimensional multivariable processes based on equivalent transfer function (ETF). Differing from existing ETF method, the proposed ETF is derived directly by exploiting the relationship between the equivalent closed-loop transfer function and the inverse of open-loop transfer function. Based on the obtained ETF, the full matrix controller is designed utilizing the existing PI tuning rules. The new proposed ETF model can more accurately represent the original processes. Furthermore, the full matrix centralized controller design method proposed in this paper is applicable to high dimensional multivariable systems with satisfactory performance. Comparison with other multivariable controllers shows that the designed ETF based controller is superior with respect to design-complexity and obtained performance.
Newton algorithm for fitting transfer functions to frequency response measurements
NASA Technical Reports Server (NTRS)
Spanos, J. T.; Mingori, D. L.
1993-01-01
In this paper the problem of synthesizing transfer functions from frequency response measurements is considered. Given a complex vector representing the measured frequency response of a physical system, a transfer function of specified order is determined that minimizes the sum of the magnitude-squared of the frequency response errors. This nonlinear least squares minimization problem is solved by an iterative global descent algorithm of the Newton type that converges quadratically near the minimum. The unknown transfer function is expressed as a sum of second-order rational polynomials, a parameterization that facilitates a numerically robust computer implementation. The algorithm is developed for single-input, single-output, causal, stable transfer functions. Two numerical examples demonstrate the effectiveness of the algorithm.
Hatt, Mathieu; Cheze le Rest, Catherine; Descourt, Patrice; Dekker, Andre; De Ruysscher, Dirk; Oellers, Michel; Lambin, Philippe; Pradier, Olivier; Visvikis, Dimitris
2010-05-01
Purpose: Accurate contouring of positron emission tomography (PET) functional volumes is now considered crucial in image-guided radiotherapy and other oncology applications because the use of functional imaging allows for biological target definition. In addition, the definition of variable uptake regions within the tumor itself may facilitate dose painting for dosimetry optimization. Methods and Materials: Current state-of-the-art algorithms for functional volume segmentation use adaptive thresholding. We developed an approach called fuzzy locally adaptive Bayesian (FLAB), validated on homogeneous objects, and then improved it by allowing the use of up to three tumor classes for the delineation of inhomogeneous tumors (3-FLAB). Simulated and real tumors with histology data containing homogeneous and heterogeneous activity distributions were used to assess the algorithm's accuracy. Results: The new 3-FLAB algorithm is able to extract the overall tumor from the background tissues and delineate variable uptake regions within the tumors, with higher accuracy and robustness compared with adaptive threshold (T{sub bckg}) and fuzzy C-means (FCM). 3-FLAB performed with a mean classification error of less than 9% +- 8% on the simulated tumors, whereas binary-only implementation led to errors of 15% +- 11%. T{sub bckg} and FCM led to mean errors of 20% +- 12% and 17% +- 14%, respectively. 3-FLAB also led to more robust estimation of the maximum diameters of tumors with histology measurements, with <6% standard deviation, whereas binary FLAB, T{sub bckg} and FCM lead to 10%, 12%, and 13%, respectively. Conclusion: These encouraging results warrant further investigation in future studies that will investigate the impact of 3-FLAB in radiotherapy treatment planning, diagnosis, and therapy response evaluation.
Transfer function analysis in epi-illumination Fourier ptychography
Pacheco, Shaun; Salahieh, Basel; Milster, Tom; Rodriguez, Jeffrey J.; Liang, Rongguang
2016-01-01
This letter explores Fourier ptychography (FP) using epi-illumination. The approach effectively modifies the FP transfer function to be coherent-like out to the incoherent limit of twice the numerical aperture over the wavelength 2NA/λ. Images reconstructed using this approach are shown to have higher contrast at finer details compared with images using incoherent illumination, indicating that the FP transfer function is superior in high spatial frequency regions. PMID:26565870
Sun, Y. Y.; Kim, Y. H.; Lee, K.; Zhang, S. B.
2008-01-01
Density functional theory (DFT) in the commonly used local density or generalized gradient approximation fails to describe van der Waals (vdW) interactions that are vital to organic, biological, and other molecular systems. Here, we propose a simple, efficient, yet accurate local atomic potential (LAP) approach, named DFT+LAP, for including vdW interactions in the framework of DFT. The LAPs for H, C, N, and O are generated by fitting the DFT+LAP potential energy curves of small molecule dimers to those obtained from coupled cluster calculations with single, double, and perturbatively treated triple excitations, CCSD(T). Excellent transferability of the LAPs is demonstrated by remarkable agreement with the JSCH-2005 benchmark database [P. Jurecka et al. Phys. Chem. Chem. Phys. 8, 1985 (2006)], which provides the interaction energies of CCSD(T) quality for 165 vdW and hydrogen-bonded complexes. For over 100 vdW dominant complexes in this database, our DFT+LAP calculations give a mean absolute deviation from the benchmark results less than 0.5 kcal/mol. The DFT+LAP approach involves no extra computational cost other than standard DFT calculations and no modification of existing DFT codes, which enables straightforward quantum simulations, such as ab initio molecular dynamics, on biomolecular systems, as well as on other organic systems.
The Transfer Functions of Cardiac Tissue during Stochastic Pacing
de Lange, Enno; Kucera, Jan P.
2009-01-01
Abstract The restitution properties of cardiac action potential duration (APD) and conduction velocity (CV) are important factors in arrhythmogenesis. They determine alternans, wavebreak, and the patterns of reentrant arrhythmias. We developed a novel approach to characterize restitution using transfer functions. Transfer functions relate an input and an output quantity in terms of gain and phase shift in the complex frequency domain. We derived an analytical expression for the transfer function of interbeat intervals (IBIs) during conduction from one site (input) to another site downstream (output). Transfer functions can be efficiently obtained using a stochastic pacing protocol. Using simulations of conduction and extracellular mapping of strands of neonatal rat ventricular myocytes, we show that transfer functions permit the quantification of APD and CV restitution slopes when it is difficult to measure APD directly. We find that the normally positive CV restitution slope attenuates IBI variations. In contrast, a negative CV restitution slope (induced by decreasing extracellular [K+]) amplifies IBI variations with a maximum at the frequency of alternans. Hence, it potentiates alternans and renders conduction unstable, even in the absence of APD restitution. Thus, stochastic pacing and transfer function analysis represent a powerful strategy to evaluate restitution and the stability of conduction. PMID:19134481
Multi-Channel Transfer Function with Dimensionality Reduction
Kim, Han Suk; Schulze, Jürgen P.; Cone, Angela C.; Sosinsky, Gina E.; Martone, Maryann E.
2010-01-01
The design of transfer functions for volume rendering is a difficult task. This is particularly true for multi-channel data sets, where multiple data values exist for each voxel. In this paper, we propose a new method for transfer function design. Our new method provides a framework to combine multiple approaches and pushes the boundary of gradient-based transfer functions to multiple channels, while still keeping the dimensionality of transfer functions to a manageable level, i.e., a maximum of three dimensions, which can be displayed visually in a straightforward way. Our approach utilizes channel intensity, gradient, curvature and texture properties of each voxel. The high-dimensional data of the domain is reduced by applying recently developed nonlinear dimensionality reduction algorithms. In this paper, we used Isomap as well as a traditional algorithm, Principle Component Analysis (PCA). Our results show that these dimensionality reduction algorithms significantly improve the transfer function design process without compromising visualization accuracy. In this publication we report on the impact of the dimensionality reduction algorithms on transfer function design for confocal microscopy data. PMID:20582228
Green's function solution to heat transfer of a transparent gas through a tube
NASA Technical Reports Server (NTRS)
Frankel, J. I.
1989-01-01
A heat transfer analysis of a transparent gas flowing through a circular tube of finite thickness is presented. This study includes the effects of wall conduction, internal radiative exchange, and convective heat transfer. The natural mathematical formulation produces a nonlinear, integrodifferential equation governing the wall temperature and an ordinary differential equation describing the gas temperature. This investigation proposes to convert the original system of equations into an equivalent system of integral equations. The Green's function method permits the conversion of an integrodifferential equation into a pure integral equation. The proposed integral formulation and subsequent computational procedure are shown to be stable and accurate.
Accurate Astrometry and Photometry of Saturated and Coronagraphic Point Spread Functions
Marois, C; Lafreniere, D; Macintosh, B; Doyon, R
2006-02-07
For ground-based adaptive optics point source imaging, differential atmospheric refraction and flexure introduce a small drift of the point spread function (PSF) with time, and seeing and sky transmission variations modify the PSF flux. These effects need to be corrected to properly combine the images and obtain optimal signal-to-noise ratios, accurate relative astrometry and photometry of detected companions as well as precise detection limits. Usually, one can easily correct for these effects by using the PSF core, but this is impossible when high dynamic range observing techniques are used, like coronagraphy with a non-transmissive occulting mask, or if the stellar PSF core is saturated. We present a new technique that can solve these issues by using off-axis satellite PSFs produced by a periodic amplitude or phase mask conjugated to a pupil plane. It will be shown that these satellite PSFs track precisely the PSF position, its Strehl ratio and its intensity and can thus be used to register and to flux normalize the PSF. This approach can be easily implemented in existing adaptive optics instruments and should be considered for future extreme adaptive optics coronagraph instruments and in high-contrast imaging space observatories.
NASA Astrophysics Data System (ADS)
Powell, Jacob; Heider, Emily C.; Campiglia, Andres; Harper, James K.
2016-10-01
The ability of density functional theory (DFT) methods to predict accurate fluorescence spectra for polycyclic aromatic hydrocarbons (PAHs) is explored. Two methods, PBE0 and CAM-B3LYP, are evaluated both in the gas phase and in solution. Spectra for several of the most toxic PAHs are predicted and compared to experiment, including three isomers of C24H14 and a PAH containing heteroatoms. Unusually high-resolution experimental spectra are obtained for comparison by analyzing each PAH at 4.2 K in an n-alkane matrix. All theoretical spectra visually conform to the profiles of the experimental data but are systematically offset by a small amount. Specifically, when solvent is included the PBE0 functional overestimates peaks by 16.1 ± 6.6 nm while CAM-B3LYP underestimates the same transitions by 14.5 ± 7.6 nm. These calculated spectra can be empirically corrected to decrease the uncertainties to 6.5 ± 5.1 and 5.7 ± 5.1 nm for the PBE0 and CAM-B3LYP methods, respectively. A comparison of computed spectra in the gas phase indicates that the inclusion of n-octane shifts peaks by +11 nm on average and this change is roughly equivalent for PBE0 and CAM-B3LYP. An automated approach for comparing spectra is also described that minimizes residuals between a given theoretical spectrum and all available experimental spectra. This approach identifies the correct spectrum in all cases and excludes approximately 80% of the incorrect spectra, demonstrating that an automated search of theoretical libraries of spectra may eventually become feasible.
Grimme, Stefan
2004-09-01
An empirical method to account for van der Waals interactions in practical calculations with the density functional theory (termed DFT-D) is tested for a wide variety of molecular complexes. As in previous schemes, the dispersive energy is described by damped interatomic potentials of the form C6R(-6). The use of pure, gradient-corrected density functionals (BLYP and PBE), together with the resolution-of-the-identity (RI) approximation for the Coulomb operator, allows very efficient computations for large systems. Opposed to previous work, extended AO basis sets of polarized TZV or QZV quality are employed, which reduces the basis set superposition error to a negligible extend. By using a global scaling factor for the atomic C6 coefficients, the functional dependence of the results could be strongly reduced. The "double counting" of correlation effects for strongly bound complexes is found to be insignificant if steep damping functions are employed. The method is applied to a total of 29 complexes of atoms and small molecules (Ne, CH4, NH3, H2O, CH3F, N2, F2, formic acid, ethene, and ethine) with each other and with benzene, to benzene, naphthalene, pyrene, and coronene dimers, the naphthalene trimer, coronene. H2O and four H-bonded and stacked DNA base pairs (AT and GC). In almost all cases, very good agreement with reliable theoretical or experimental results for binding energies and intermolecular distances is obtained. For stacked aromatic systems and the important base pairs, the DFT-D-BLYP model seems to be even superior to standard MP2 treatments that systematically overbind. The good results obtained suggest the approach as a practical tool to describe the properties of many important van der Waals systems in chemistry. Furthermore, the DFT-D data may either be used to calibrate much simpler (e.g., force-field) potentials or the optimized structures can be used as input for more accurate ab initio calculations of the interaction energies.
Customer short term load forecasting by using ARIMA transfer function model
Cho, M.Y.; Hwang, J.C.; Chen, C.S.
1995-12-31
Short-term load forecasting plays an important role in electric power system operation and planning. An accurate load forecasting not only reduces the generation cost in a power system, but also provides a good principle of effective operation. In this paper, the ARIMA model and transfer function model are applied to the short-term load forecasting by considering weather-load relationship. For four types of customer in Taiwan power (Taipower) system, residential load, commercial load, office load and industrial load customers, the summer ARIMA model transfer function model have been derived to proceed the short-term load forecasting during one week. To demonstrate the effectiveness of the proposed method, this paper compares the results of the transfer function model and the univariate ARIMA model with conventional regression. Besides, the transfer function model`s accuracy of the load forecast on weekday and weekend is thoroughly investigated. To improve the accuracy level of load forecast, the temperature effect is considered in the transfer function. According to the short-term load forecasting for these four customer classes, it is concluded that the proposed method can achieve better accuracy of load forecast than ARIMA model by considering the causality between power consumption and temperature.
NASA Astrophysics Data System (ADS)
Sollberger, S.; Perez, K.; Schubert, C. J.; Eugster, W.; Wehrli, B.; Del Sontro, T.
2013-12-01
Currently, carbon dioxide (CO2) and methane (CH4) emissions from lakes, reservoirs and rivers are readily investigated due to the global warming potential of those gases and the role these inland waters play in the carbon cycle. However, there is a lack of high spatiotemporally-resolved emission estimates, and how to accurately assess the gas transfer velocity (K) remains controversial. In anthropogenically-impacted systems where run-of-river reservoirs disrupt the flow of sediments by increasing the erosion and load accumulation patterns, the resulting production of carbonic greenhouse gases (GH-C) is likely to be enhanced. The GH-C flux is thus counteracting the terrestrial carbon sink in these environments that act as net carbon emitters. The aim of this project was to determine the GH-C emissions from a medium-sized river heavily impacted by several impoundments and channelization through a densely-populated region of Switzerland. Estimating gas emission from rivers is not trivial and recently several models have been put forth to do so; therefore a second goal of this project was to compare the river emission models available with direct measurements. Finally, we further validated the modeled fluxes by using a combined approach with water sampling, chamber measurements, and highly temporal GH-C monitoring using an equilibrator. We conducted monthly surveys along the 120 km of the lower Aare River where we sampled for dissolved CH4 (';manual' sampling) at a 5-km sampling resolution, and measured gas emissions directly with chambers over a 35 km section. We calculated fluxes (F) via the boundary layer equation (F=K×(Cw-Ceq)) that uses the water-air GH-C concentration (C) gradient (Cw-Ceq) and K, which is the most sensitive parameter. K was estimated using 11 different models found in the literature with varying dependencies on: river hydrology (n=7), wind (2), heat exchange (1), and river width (1). We found that chamber fluxes were always higher than boundary
NASA Astrophysics Data System (ADS)
Hekkenberg, R. T.; Richards, A.; Beissner, K.; Zeqiri, B.; Prout, G.; Cantrall, Ch; Bezemer, R. A.; Koch, Ch; Hodnett, M.
2004-01-01
Physical therapy ultrasound is widely applied to patients. However, many devices do not comply with the relevant standard stating that the actual power output shall be within +/-20% of the device indication. Extreme cases have been reported: from delivering effectively no ultrasound or operating at maximum power at all powers indicated. This can potentially lead to patient injury as well as mistreatment. The present European (EC) project is an ongoing attempt to improve the quality of the treatment of patients being treated with ultrasonic physical-therapy. A Portable ultrasound Power Standard (PPS) is being developed and accurately calibrated. The PPS includes: Ultrasound transducers (including one exhibiting an unusual output) and a driver for the ultrasound transducers that has calibration and proficiency test functions. Also included with the PPS is a Cavitation Detector to determine the onset of cavitation occurring within the propagation medium. The PPS will be suitable for conducting in-the-field accreditation (proficiency testing and calibration). In order to be accredited it will be important to be able to show traceability of the calibration, the calibration process and qualification of testing staff. The clinical user will benefit from traceability because treatments will be performed more reliably.
Transfer Functions Via Laplace- And Fourier-Borel Transforms
NASA Technical Reports Server (NTRS)
Can, Sumer; Unal, Aynur
1991-01-01
Approach to solution of nonlinear ordinary differential equations involves transfer functions based on recently-introduced Laplace-Borel and Fourier-Borel transforms. Main theorem gives transform of response of nonlinear system as Cauchy product of transfer function and transform of input function of system, together with memory effects. Used to determine responses of electrical circuits containing variable inductances or resistances. Also possibility of doing all noncommutative algebra on computers in such symbolic programming languages as Macsyma, Reduce, PL1, or Lisp. Process of solution organized and possibly simplified by algebraic manipulations reducing integrals in solutions to known or tabulated forms.
Optical transfer function of NTS-1 retroreflector array
NASA Technical Reports Server (NTRS)
Arnold, D. A.
1974-01-01
An optical transfer function was computed for the retroreflector array carried by the NTS-1 satellite. Range corrections are presented for extrapolating laser range measurements to the center of mass of the satellite. The gain function of the array was computed for use in estimating laser-echo signal strengths.
Determination of transfer function of COPE correlation interferometer instrument
NASA Technical Reports Server (NTRS)
Twitty, J.; Kindle, E. C.
1976-01-01
The comparison of theoretical and instrument response functions and its use as a procedure for determining the transfer function of the COPE correlation interferometer are summarized. Data show qualitative agreement can be obtained when discrepancies between theory and instrument are investigated and instrument components are analyzed in detail. Data were obtained using a set of calibration data and computer algorithms.
Oyeyemi, Victor B; Keith, John A; Carter, Emily A
2014-09-01
Accurate bond dissociation energies (BDEs) are important for characterizing combustion chemistry, particularly the initial stages of pyrolysis. Here we contribute to evaluating the thermochemistry of biodiesel methyl ester molecules using ab initio BDEs derived from a multireference averaged coupled-pair functional (MRACPF2)-based scheme. Having previously validated this approach for hydrocarbons and a variety of oxygenates, herein we provide further validation for bonds within carboxylic acids and methyl esters, finding our scheme predicts BDEs within chemical accuracy (i.e., within 1 kcal/mol) for these molecules. Insights into BDE trends with ester size are then analyzed for methyl formate through methyl crotonate. We find that the carbonyl group in the ester moiety has only a local effect on BDEs. C═C double bonds in ester alkyl chains are found to increase the strengths of bonds adjacent to the double bond. An important exception are bonds beta to C═C or C═O bonds, which produce allylic-like radicals upon dissociation. The observed trends arise from different degrees of geometric relaxation and resonance stabilization in the radicals produced. We also compute BDEs in various small alkanes and alkenes as models for the long hydrocarbon chain of actual biodiesel methyl esters. We again show that allylic bonds in the alkenes are much weaker than those in the small methyl esters, indicating that hydrogen abstractions are more likely at the allylic site and even more likely at bis-allylic sites of alkyl chains due to more electrons involved in π-resonance in the latter. Lastly, we use the BDEs in small surrogates to estimate heretofore unknown BDEs in large methyl esters of biodiesel fuels.
Oyeyemi, Victor B; Keith, John A; Carter, Emily A
2014-09-01
Accurate bond dissociation energies (BDEs) are important for characterizing combustion chemistry, particularly the initial stages of pyrolysis. Here we contribute to evaluating the thermochemistry of biodiesel methyl ester molecules using ab initio BDEs derived from a multireference averaged coupled-pair functional (MRACPF2)-based scheme. Having previously validated this approach for hydrocarbons and a variety of oxygenates, herein we provide further validation for bonds within carboxylic acids and methyl esters, finding our scheme predicts BDEs within chemical accuracy (i.e., within 1 kcal/mol) for these molecules. Insights into BDE trends with ester size are then analyzed for methyl formate through methyl crotonate. We find that the carbonyl group in the ester moiety has only a local effect on BDEs. C═C double bonds in ester alkyl chains are found to increase the strengths of bonds adjacent to the double bond. An important exception are bonds beta to C═C or C═O bonds, which produce allylic-like radicals upon dissociation. The observed trends arise from different degrees of geometric relaxation and resonance stabilization in the radicals produced. We also compute BDEs in various small alkanes and alkenes as models for the long hydrocarbon chain of actual biodiesel methyl esters. We again show that allylic bonds in the alkenes are much weaker than those in the small methyl esters, indicating that hydrogen abstractions are more likely at the allylic site and even more likely at bis-allylic sites of alkyl chains due to more electrons involved in π-resonance in the latter. Lastly, we use the BDEs in small surrogates to estimate heretofore unknown BDEs in large methyl esters of biodiesel fuels. PMID:24621192
Chen, Qiang; Yang, Bicheng
2016-01-01
By means of weight functions and Hermite-Hadamard's inequality, and introducing a discrete interval variable, a more accurate half-discrete Hardy-Hilbert-type inequality related to the kernel of arc tangent function and a best possible constant factor is given, which is an extension of a published result. The equivalent forms and the operator expressions are also considered. PMID:27563512
Chen, Qiang; Yang, Bicheng
2016-01-01
By means of weight functions and Hermite-Hadamard's inequality, and introducing a discrete interval variable, a more accurate half-discrete Hardy-Hilbert-type inequality related to the kernel of arc tangent function and a best possible constant factor is given, which is an extension of a published result. The equivalent forms and the operator expressions are also considered.
Selver, M Alper; Güzeliş, Cüneyt
2009-01-01
As being a tool that assigns optical parameters used in interactive visualization, Transfer Functions (TF) have important effects on the quality of volume rendered medical images. Unfortunately, finding accurate TFs is a tedious and time consuming task because of the trade off between using extensive search spaces and fulfilling the physician's expectations with interactive data exploration tools and interfaces. By addressing this problem, we introduce a semi-automatic method for initial generation of TFs. The proposed method uses a Self Generating Hierarchical Radial Basis Function Network to determine the lobes of a Volume Histogram Stack (VHS) which is introduced as a new domain by aligning the histograms of slices of a image series. The new self generating hierarchical design strategy allows the recognition of suppressed lobes corresponding to suppressed tissues and representation of the overlapping regions which are parts of the lobes but can not be represented by the Gaussian bases in VHS. Moreover, approximation with a minimum set of basis functions provides the possibility of selecting and adjusting suitable units to optimize the TF. Applications on different CT and MR data sets show enhanced rendering quality and reduced optimization time in abdominal studies.
MM-ISMSA: An Ultrafast and Accurate Scoring Function for Protein-Protein Docking.
Klett, Javier; Núñez-Salgado, Alfonso; Dos Santos, Helena G; Cortés-Cabrera, Álvaro; Perona, Almudena; Gil-Redondo, Rubén; Abia, David; Gago, Federico; Morreale, Antonio
2012-09-11
An ultrafast and accurate scoring function for protein-protein docking is presented. It includes (1) a molecular mechanics (MM) part based on a 12-6 Lennard-Jones potential; (2) an electrostatic component based on an implicit solvent model (ISM) with individual desolvation penalties for each partner in the protein-protein complex plus a hydrogen bonding term; and (3) a surface area (SA) contribution to account for the loss of water contacts upon protein-protein complex formation. The accuracy and performance of the scoring function, termed MM-ISMSA, have been assessed by (1) comparing the total binding energies, the electrostatic term, and its components (charge-charge and individual desolvation energies), as well as the per residue contributions, to results obtained with well-established methods such as APBSA or MM-PB(GB)SA for a set of 1242 decoy protein-protein complexes and (2) testing its ability to recognize the docking solution closest to the experimental structure as that providing the most favorable total binding energy. For this purpose, a test set consisting of 15 protein-protein complexes with known 3D structure mixed with 10 decoys for each complex was used. The correlation between the values afforded by MM-ISMSA and those from the other methods is quite remarkable (r(2) ∼ 0.9), and only 0.2-5.0 s (depending on the number of residues) are spent on a single calculation including an all vs all pairwise energy decomposition. On the other hand, MM-ISMSA correctly identifies the best docking solution as that closest to the experimental structure in 80% of the cases. Finally, MM-ISMSA can process molecular dynamics trajectories and reports the results as averaged values with their standard deviations. MM-ISMSA has been implemented as a plugin to the widely used molecular graphics program PyMOL, although it can also be executed in command-line mode. MM-ISMSA is distributed free of charge to nonprofit organizations.
The Use of Dispersion Relations For The Geomagnetic Transfer Functions
NASA Astrophysics Data System (ADS)
Marcuello, A.; Queralt, P.; Ledo, J. J.
The magnetotelluric responses are complex magnitudes, where real and imaginary parts contain the same information on the geoelectrical structure. It seems possible, from very general hypotheses on the geoelectrical models (causality, stability and passivity), to apply the Kramers-Krönig dispersion relations to the magnetotelluric responses (impedance, geomagnetic transfer functions,...). In particular, the applica- bility of these relations to the impedance is a current point of discussion, but there are not many examples of their application to the geomagnetic transfer functions (tipper). The aim of this paper is to study how the relations of dispersion are applied to the real and imaginary part of the geomagnetic transfer functions, and to check its validity. For this reason, we have considered data (or responses) from two- and three-dimensional structures, and for these data, we have taken two situations: 1.- Responses that have been synthetically generated from numerical modelling, that allows us to control the quality of the data. 2.- Responses obtained from fieldwork, that are affected by exper- imental error. Additionally, we have also explored the use of these relations to extrap- olate the geomagnetic transfer functions outside the interval of measured frequencies, in order to obtain constrains on the values of these extrapolated data. The results have shown that the dispersion relations are accomplished for the geomag- netic transfer functions, and they can offer information about how these responses are behaved outside (but near) the range of measured frequencies.
Functionalized organic nanotubes as tubular nonviral gene transfer vector.
Ding, Wuxiao; Wada, Momoyo; Kameta, Naohiro; Minamikawa, Hiroyuki; Shimizu, Toshimi; Masuda, Mitsutoshi
2011-11-30
Tubular nanomaterials are expected to represent a novel nonviral gene transfer vectors due to the unique morphology and potential biological functionalities. Here we rationally constructed functionalized organic nanotubes (ONTs) for gene delivery through the co-assembly of bipolar glycolipid, arginine-lipid and PEG-lipid. The arginine- and PEG-functionalized ONTs efficiently formed complexes with plasmid DNA without aggregation, and protect DNA from enzymatic degradation; while the arginine-functionalized ONTs aggregated with DNA as large bundles. Long ONTs exceeding 1μm in length was rarely taken up into the cells, while those with a length of 400-800nm could effectively deliver plasmid DNA into cells and induce high transgene expression of green fluorescense protein. This study demonstrated the usefulness of functionalized ONT in gene delivery, and the functionalized ONT represents a novel type of tubular nonviral gene transfer vector.
Arterial Input Function Placement for Accurate CT Perfusion Map Construction in Acute Stroke
Ferreira, Rafael M.; Lev, Michael H.; Goldmakher, Gregory V.; Kamalian, Shahmir; Schaefer, Pamela W.; Furie, Karen L.; Gonzalez, R. Gilberto; Sanelli, Pina C.
2013-01-01
OBJECTIVE The objective of our study was to evaluate the effect of varying arterial input function (AIF) placement on the qualitative and quantitative CT perfusion parameters. MATERIALS AND METHODS Retrospective analysis of CT perfusion data was performed on 14 acute stroke patients with a proximal middle cerebral artery (MCA) clot. Cerebral blood flow (CBF), cerebral blood volume (CBV), and mean transit time (MTT) maps were constructed using a systematic method by varying only the AIF placement in four positions relative to the MCA clot including proximal and distal to the clot in the ipsilateral and contralateral hemispheres. Two postprocessing software programs were used to evaluate the effect of AIF placement on perfusion parameters using a delay-insensitive deconvolution method compared with a standard deconvolution method. RESULTS One hundred sixty-eight CT perfusion maps were constructed for each software package. Both software programs generated a mean CBF at the infarct core of < 12 mL/100 g/min and a mean CBV of < 2 mL/100 g for AIF placement proximal to the clot in the ipsilateral hemisphere and proximal and distal to the clot in the contralateral hemisphere. For AIF placement distal to the clot in the ipsilateral hemisphere, the mean CBF significantly increased to 17.3 mL/100 g/min with delay-insensitive software and to 19.4 mL/100 g/min with standard software (p < 0.05). The mean MTT was significantly decreased for this AIF position. Furthermore, this AIF position yielded qualitatively different parametric maps, being most pronounced with MTT and CBF. Overall, CBV was least affected by AIF location. CONCLUSION For postprocessing of accurate quantitative CT perfusion maps, laterality of the AIF location is less important than avoiding AIF placement distal to the clot as detected on CT angiography. This pitfall is less severe with deconvolution-based software programs using a delay-insensitive technique than with those using a standard deconvolution
Matrix Transfer Function Design for Flexible Structures: An Application
NASA Technical Reports Server (NTRS)
Brennan, T. J.; Compito, A. V.; Doran, A. L.; Gustafson, C. L.; Wong, C. L.
1985-01-01
The application of matrix transfer function design techniques to the problem of disturbance rejection on a flexible space structure is demonstrated. The design approach is based on parameterizing a class of stabilizing compensators for the plant and formulating the design specifications as a constrained minimization problem in terms of these parameters. The solution yields a matrix transfer function representation of the compensator. A state space realization of the compensator is constructed to investigate performance and stability on the nominal and perturbed models. The application is made to the ACOSSA (Active Control of Space Structures) optical structure.
Charge transfer in time-dependent density-functional theory via spin-symmetry breaking
Fuks, Johanna I.; Maitra, Neepa T.
2011-04-15
Long-range charge-transfer excitations pose a major challenge for time-dependent density-functional approximations. We show that spin-symmetry breaking offers a simple solution for molecules composed of open-shell fragments, yielding accurate excitations at large separations when the acceptor effectively contains one active electron. Unrestricted exact-exchange and self-interaction-corrected functionals are performed on one-dimensional models and on the real LiH molecule within the pseudopotential approximation to demonstrate our results.
NASA Astrophysics Data System (ADS)
Brawand, Nicholas; Vörös, Márton; Govoni, Marco; Galli, Giulia
The accurate prediction of optoelectronic properties of molecules and solids is a persisting challenge for current density functional theory (DFT) based methods. We propose a hybrid functional where the mixing fraction of exact and local exchange is determined by a non-empirical, system dependent function. This functional yields ionization potentials, fundamental and optical gaps of many, diverse systems in excellent agreement with experiments, including organic and inorganic molecules and nanocrystals. We further demonstrate that the newly defined hybrid functional gives the correct alignment between the energy level of the exemplary TTF-TCNQ donor-acceptor system. DOE-BES: DE-FG02-06ER46262.
Mackie, G C; Schlicht, S M
2004-09-01
Reoperation for refractory or recurrent hyperparathyroidism following parathyroidectomy carries the potential for increased morbidity and the possibility of failure to localize and remove the lesion intraoperatively. Reported herein are three cases demonstrating the combined use of sestamibi scintigraphy, CT and MR for accurate localization of mediastinal parathyroid adenomas.
Horizontal functional gene transfer from bacteria to fishes
Sun, Bao-Fa; Li, Tong; Xiao, Jin-Hua; Jia, Ling-Yi; Liu, Li; Zhang, Peng; Murphy, Robert W.; He, Shun-Min; Huang, Da-Wei
2015-01-01
Invertebrates can acquire functional genes via horizontal gene transfer (HGT) from bacteria but fishes are not known to do so. We provide the first reliable evidence of one HGT event from marine bacteria to fishes. The HGT appears to have occurred after emergence of the teleosts. The transferred gene is expressed and regulated developmentally. Its successful integration and expression may change the genetic and metabolic repertoire of fishes. In addition, this gene contains conserved domains and similar tertiary structures in fishes and their putative donor bacteria. Thus, it may function similarly in both groups. Evolutionary analyses indicate that it evolved under purifying selection, further indicating its conserved function. We document the first likely case of HGT of functional gene from prokaryote to fishes. This discovery certifies that HGT can influence vertebrate evolution. PMID:26691285
Transfer function tests of the Joy longwall shearer
NASA Technical Reports Server (NTRS)
Fisher, P. H., Jr.
1978-01-01
A series of operational tests was performed on the Joy longwall shearer located at the Bureau of Mines in Bructon, Pennsylvania. The purpose of these tests was to determine the transfer function and operational characteristics of the system. These characteristics will be used to generate a simulation model of the longwall shearer used in the development of the closed-loop vertical control system.
Optical and infrared transfer function of the Lageos retroreflector array
NASA Technical Reports Server (NTRS)
Arnold, D. A.
1978-01-01
The transfer function of the retroreflector array carried by the LAGEOS satellite (1976 39A) was computed at three wavelengths: 5230, 6943, and 106000 A. The range correction is given for extrapolating laser range measurements to the center of gravity of the satellite. The reflectivity of the array was calculated for estimating laser-echo signal strengths.
TRANSVERSE BEAM TRANSFER FUNCTIONS OF COLLIDING BEAMS IN RHIC
FISCHER,W.; BLASKIEWICZ, M.; CALAGA, R.; CAMERON, P.; HERR, W.; PIELONI, T.
2007-06-25
We use transverse beam transfer functions to measure tune distributions of colliding beams in RHIC. The tune has a distribution due to the beam-beam interaction, nonlinear magnetic fields -- particularly in the interaction region magnets, and non-zero chromaticity in conjunction with momentum spread. The measured tune distributions are compared with calculations.
Determination of acoustical transfer functions using an impulse method
NASA Astrophysics Data System (ADS)
MacPherson, J.
1985-02-01
The Transfer Function of a system may be defined as the relationship of the output response to the input of a system. Whilst recent advances in digital processing systems have enabled Impulse Transfer Functions to be determined by computation of the Fast Fourier Transform, there has been little work done in applying these techniques to room acoustics. Acoustical Transfer Functions have been determined for auditoria, using an impulse method. The technique is based on the computation of the Fast Fourier Transform (FFT) of a non-ideal impulsive source, both at the source and at the receiver point. The Impulse Transfer Function (ITF) is obtained by dividing the FFT at the receiver position by the FFT of the source. This quantity is presented both as linear frequency scale plots and also as synthesized one-third octave band data. The technique enables a considerable quantity of data to be obtained from a small number of impulsive signals recorded in the field, thereby minimizing the time and effort required on site. As the characteristics of the source are taken into account in the calculation, the choice of impulsive source is non-critical. The digital analysis equipment required for the analysis is readily available commercially.
Context transfer in reinforcement learning using action-value functions.
Mousavi, Amin; Nadjar Araabi, Babak; Nili Ahmadabadi, Majid
2014-01-01
This paper discusses the notion of context transfer in reinforcement learning tasks. Context transfer, as defined in this paper, implies knowledge transfer between source and target tasks that share the same environment dynamics and reward function but have different states or action spaces. In other words, the agents learn the same task while using different sensors and actuators. This requires the existence of an underlying common Markov decision process (MDP) to which all the agents' MDPs can be mapped. This is formulated in terms of the notion of MDP homomorphism. The learning framework is Q-learning. To transfer the knowledge between these tasks, the feature space is used as a translator and is expressed as a partial mapping between the state-action spaces of different tasks. The Q-values learned during the learning process of the source tasks are mapped to the sets of Q-values for the target task. These transferred Q-values are merged together and used to initialize the learning process of the target task. An interval-based approach is used to represent and merge the knowledge of the source tasks. Empirical results show that the transferred initialization can be beneficial to the learning process of the target task. PMID:25610457
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.
A simple transfer function for nonlinear dendritic integration.
Singh, Matthew F; Zald, David H
2015-01-01
Relatively recent advances in patch clamp recordings and iontophoresis have enabled unprecedented study of neuronal post-synaptic integration ("dendritic integration"). Findings support a separate layer of integration in the dendritic branches before potentials reach the cell's soma. While integration between branches obeys previous linear assumptions, proximal inputs within a branch produce threshold nonlinearity, which some authors have likened to the sigmoid function. Here we show the implausibility of a sigmoidal relation and present a more realistic transfer function in both an elegant artificial form and a biophysically derived form that further considers input locations along the dendritic arbor. As the distance between input locations determines their ability to produce nonlinear interactions, models incorporating dendritic topology are essential to understanding the computational power afforded by these early stages of integration. We use the biophysical transfer function to emulate empirical data using biophysical parameters and describe the conditions under which the artificial and biophysically derived forms are equivalent.
Transfer function analysis of dynamic cerebral autoregulation in humans
NASA Technical Reports Server (NTRS)
Zhang, R.; Zuckerman, J. H.; Giller, C. A.; Levine, B. D.; Blomqvist, C. G. (Principal Investigator)
1998-01-01
To test the hypothesis that spontaneous changes in cerebral blood flow are primarily induced by changes in arterial pressure and that cerebral autoregulation is a frequency-dependent phenomenon, we measured mean arterial pressure in the finger and mean blood flow velocity in the middle cerebral artery (VMCA) during supine rest and acute hypotension induced by thigh cuff deflation in 10 healthy subjects. Transfer function gain, phase, and coherence function between changes in arterial pressure and VMCA were estimated using the Welch method. The impulse response function, calculated as the inverse Fourier transform of this transfer function, enabled the calculation of transient changes in VMCA during acute hypotension, which was compared with the directly measured change in VMCA during thigh cuff deflation. Beat-to-beat changes in VMCA occurred simultaneously with changes in arterial pressure, and the autospectrum of VMCA showed characteristics similar to arterial pressure. Transfer gain increased substantially with increasing frequency from 0.07 to 0.20 Hz in association with a gradual decrease in phase. The coherence function was > 0.5 in the frequency range of 0.07-0.30 Hz and < 0.5 at < 0.07 Hz. Furthermore, the predicted change in VMCA was similar to the measured VMCA during thigh cuff deflation. These data suggest that spontaneous changes in VMCA that occur at the frequency range of 0.07-0.30 Hz are related strongly to changes in arterial pressure and, furthermore, that short-term regulation of cerebral blood flow in response to changes in arterial pressure can be modeled by a transfer function with the quality of a high-pass filter in the frequency range of 0.07-0.30 Hz.
Subotnik, Joseph E.; Vura-Weis, Josh; Sodt, Alex J.; Ratner, Mark A.
2010-05-06
We model the triplet-triplet energy-transfer experiments from the Closs group [Closs, G. L.; et al. J. Am. Chem. Soc. 1988, 110, 2652.] using a combination of Marcus theory and either Boys or Edmiston-Ruedenberg localized diabatization, and we show that relative and absolute rates of electronic excitation transfer may be computed successfully. For the case where both the donor and acceptor occupy equatorial positions on a rigid cyclohexane bridge, we find β_{calc} = 2.8 per C-C bond, compared with the experimental value β_{exp} = 2.6. This work highlights the power of using localized diabatization methods as a tool for modeling nonequilibrium processes.
Deegan, Brian M.; Serrador, Jorge M.; Nakagawa, Kazuma; Jones, Edward; Sorond, Farzaneh A.; ÓLaighin, Gearóid
2015-01-01
There are methodological concerns with combined use of transcranial Doppler (TCD) and Finapres to measure dynamic cerebral autoregulation. The Finapres calibration mechanism (“physiocal”) causes interruptions to blood pressure recordings. Also, TCD is subject to signal loss due to probe movement. We assessed the effects of “physiocals” and TCD signal loss on transfer function estimates in recordings of 45 healthy subjects. We added artificial “physiocals” and removed sections of TCD signal from 5 min Finapres and TCD recordings. We also compared transfer function results from 5 min time series with time series as short as 1 min. Accurate transfer function estimates can be achieved in the 0.03–0.07 Hz band using beat-by-beat data with linear interpolation, while data loss is less than 10 s. At frequencies between 0.07 and 0.5 Hz, transfer function estimates become unreliable with 5 s of data loss every 50 s. 2 s data loss only affects frequency bands above 0.15 Hz. Finally, accurate transfer function assessment of autoregulatory function can be achieved from time series as short as 1 min, although gain and coherence tend to be overestimated at higher frequencies. PMID:21239208
Matanović, Ivana; Atanassov, Plamen; Kiefer, Boris; Garzon, Fernando H; Henson, Neil J
2014-10-01
The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of -2.62 and -1.1% for the N-N stretching and Rh-H stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the Rh-H and N-N stretching modes from the bulk phonons and by solving one- and two-dimensional Schrödinger equation associated with the Rh-H, Rh-N, and N-N potential energy we calculated the anharmonic correction for N-N and Rh-H stretching modes as -31 cm(-1) and -77 cm(-1) at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments. PMID:25164265
Matanovic, Ivana; Atanassov, Plamen; Kiefer, Boris; Garzon, Fernando; Henson, Neil J.
2014-10-05
The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energy for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of 22.62 and 21.1% for the NAN stretching and RhAH stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the RhAH and NAN stretching modes from the bulk phonons and by solving one- and two-dimensional Schr€odinger equation associated with the RhAH, RhAN, and NAN potential energy we calculated the anharmonic correction for NAN and RhAH stretching modes as 231 cm21 and 277 cm21 at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments.
On the role of covarying functions in stimulus class formation and transfer of function.
Markham, Rebecca G; Markham, Michael R
2002-01-01
This experiment investigated whether directly trained covarying functions are necessary for stimulus class formation and transfer of function in humans. Initial class training was designed to establish two respondent-based stimulus classes by pairing two visual stimuli with shock and two other visual stimuli with no shock. Next, two operant discrimination functions were trained to one stimulus of each putative class. The no-shock group received the same training and testing in all phases, except no stimuli were ever paired with shock. The data indicated that skin conductance response conditioning did not occur for the shock groups or for the no-shock group. Tests showed transfer of the established discriminative functions, however, only for the shock groups, indicating the formation of two stimulus classes only for those participants who received respondent class training. The results suggest that transfer of function does not depend on first covarying the stimulus class functions. PMID:12507017
Transfer function between tibial acceleration and ground reaction force.
Lafortune, M A; Lake, M J; Hennig, E
1995-01-01
The purpose of the present study was to capture the relationship between ground reaction force (GRF) and tibial axial acceleration. Tibia acceleration and GRF were simultaneously recorded from five subjects during running. The acceleration of the bone was measured with a transducer mounted onto an intracortical pin. The signals were analyzed in the frequency domain to characterize the relationship between GRF and tibial acceleration. The results confirmed that for each subject this relationship could be represented by a frequency transfer function. The existence of a more general relationship for all five subjects was also confirmed by the results. The transfer functions provided information about transient shock transmissibility for the entire impact phase of running.
Santiago, Régis Tadeu; Haiduke, Roberto Luiz Andrade
2015-10-30
This research provides a performance investigation of density functional theory and also proposes new functional parameterizations to deal with electric field gradient (EFG) calculations at nuclear positions. The entire procedure is conducted within the four-component formalism. First, we noticed that traditional hybrid and long-range corrected functionals are more efficient in the description of EFG variations for a set of elements (indium, antimony, iodine, lutetium, and hafnium) among linear molecules. Thus, we selected the PBE0, B3LYP, and CAM-B3LYP functionals and promoted a reoptimization of their parameters for a better description of these EFG changes. The PBE0q variant developed here showed an overall promising performance in a validation test conducted with potassium, iodine, copper, and gold. In general, the correlation coefficients found in linear regressions between experimental nuclear quadrupole coupling constants and calculated EFGs are improved while the systematic EFG errors also decrease as a result of this reparameterization. PMID:26284820
Smaller nets may perform better: special transfer functions.
Elsken, T
1999-06-01
In an earlier study we stated sufficient conditions on the transfer function f of a feedforward multilayered neural net such that the output on R(n) defines the net up to trivial changes and smaller nets can have better performance on finite sets. Here we prove that 1/(1+e(-x)), tanhx, (1-e(-x))/(1+e(-x)) and invtanx satisfy these conditions.
A Derived Transfer of Mood Functions through Equivalence Relations
ERIC Educational Resources Information Center
Barnes-Holmes, Yvonne; Barnes-Holmes, Dermot; Smeets, Paul M.; Luciano, Carmen
2004-01-01
The present study investigated the transfer of induced happy and sad mood functions through equivalence relations. Sixteen subjects participated in a combined equivalence and mood induction procedure. In Phase 1, all subjects were trained in 2 conditional discriminations using a matching-to-sample format (i.e., A1-B1, A2-B2, A1-C1, A2-C2). In…
Henderson, Hugh I.; Parker, Danny; Huang, Yu J.
2000-08-04
In hourly energy simulations, it is important to properly predict the performance of air conditioning systems over a range of full and part load operating conditions. An important component of these calculations is to properly consider the performance of the cycling air conditioner and how it interacts with the building. This paper presents improved approaches to properly account for the part load performance of residential and light commercial air conditioning systems in DOE-2. First, more accurate correlations are given to predict the degradation of system efficiency at part load conditions. In addition, a user-defined function for RESYS is developed that provides improved predictions of air conditioner sensible and latent capacity at part load conditions. The user function also provides more accurate predictions of space humidity by adding ''lumped'' moisture capacitance into the calculations. The improved cooling coil model and the addition of moisture capacitance predicts humidity swings that are more representative of the performance observed in real buildings.
Boundary emphasis transfer function generation based on HSL color space
NASA Astrophysics Data System (ADS)
Li, Xiao; Wu, Jianhuang; Luo, Shengzhou; Ma, Xin
2011-10-01
Direct volume rendering has been received much attention since it need not to extract geometric primitives for visualization and its performance is generally better than surface rendering. Transfer functions, which are used for mapping scalar field to optical properties, are of vital importance in obtaining a sensible rendering result from volume data. Though traditional color transfer functions are in RGB color space, HSL color space that conveys semantic meanings is more intuitive and user-friendly. In this paper, we present a novel approach aims to emphasize and distinguish strong boundaries between different materials. We achieve it by using data value, gradient magnitude and dimension of the volumetric data to set opacity. Then, through a linear map from data value, gradient magnitude and second derivative to hue, saturation and lightness respectively, a color transfer function is obtained in HSL color space. Experimental tests on real-world datasets indicate that our method could achieve desirable rendering results with revealing important boundaries between different structures and indicating data value's distribution in the volume by using different colors.
Accurate and efficient calculation of discrete correlation functions and power spectra
NASA Astrophysics Data System (ADS)
Xu, Y. F.; Liu, J. M.; Zhu, W. D.
2015-07-01
Operational modal analysis (OMA), or output-only modal analysis, has been widely conducted especially when excitation applied on a structure is unknown or difficult to measure. Discrete cross-correlation functions and cross-power spectra between a reference data series and measured response data series are bases for OMA to identify modal properties of a structure. Such functions and spectra can be efficiently transformed from each other using the discrete Fourier transform (DFT) and inverse DFT (IDFT) based on the cross-correlation theorem. However, a direct application of the theorem and transforms, including the DFT and IDFT, can yield physically erroneous results due to periodic extension of the DFT on a function of a finite length to be transformed, which is false most of the time. Padding zero series to ends of data series before applying the theorem and transforms can reduce the errors, but the results are still physically erroneous. A new methodology is developed in this work to calculate discrete cross-correlation functions of non-negative time delays and associated cross-power spectra, referred to as half spectra, for OMA. The methodology can be extended to cross-correlation functions of any time delays and associated cross-power spectra, referred to as full spectra. The new methodology is computationally efficient due to use of the transforms. Data series are properly processed to avoid the errors caused by the periodic extension, and the resulting cross-correlation functions and associated cross-power spectra perfectly comply with their definitions. A coherence function, a convergence function, and a convergence index are introduced to evaluate qualities of measured cross-correlation functions and associated cross-power spectra. The new methodology was numerically and experimentally applied to an ideal two-degree-of-freedom (2-DOF) mass-spring-damper system and a damaged aluminum beam, respectively, and OMA was conducted using half spectra to estimate
Zaki, S.K.; Bretan, P.N.; Go, R.T.; Rehm, P.K.; Streem, S.B.; Novick, A.C. )
1990-06-01
Orthoiodohippurate renal scanning has proved to be a reliable, noninvasive method for the evaluation and followup of renal allograft function. However, a standardized system for grading renal function with this test is not available. We propose a simple grading system to distinguish the different functional phases of hippurate scanning in renal transplant recipients. This grading system was studied in 138 patients who were evaluated 1 week after renal transplantation. There was a significant correlation between the isotope renographic functional grade and clinical correlates of allograft function such as the serum creatinine level (p = 0.0001), blood urea nitrogen level (p = 0.0001), urine output (p = 0.005) and need for hemodialysis (p = 0.007). We recommend this grading system as a simple and accurate method to interpret orthoiodohippurate renal scans in the evaluation and followup of renal allograft recipients.
An extended set of yeast-based functional assays accurately identifies human disease mutations
Sun, Song; Yang, Fan; Tan, Guihong; Costanzo, Michael; Oughtred, Rose; Hirschman, Jodi; Theesfeld, Chandra L.; Bansal, Pritpal; Sahni, Nidhi; Yi, Song; Yu, Analyn; Tyagi, Tanya; Tie, Cathy; Hill, David E.; Vidal, Marc; Andrews, Brenda J.; Boone, Charles; Dolinski, Kara; Roth, Frederick P.
2016-01-01
We can now routinely identify coding variants within individual human genomes. A pressing challenge is to determine which variants disrupt the function of disease-associated genes. Both experimental and computational methods exist to predict pathogenicity of human genetic variation. However, a systematic performance comparison between them has been lacking. Therefore, we developed and exploited a panel of 26 yeast-based functional complementation assays to measure the impact of 179 variants (101 disease- and 78 non-disease-associated variants) from 22 human disease genes. Using the resulting reference standard, we show that experimental functional assays in a 1-billion-year diverged model organism can identify pathogenic alleles with significantly higher precision and specificity than current computational methods. PMID:26975778
An extended set of yeast-based functional assays accurately identifies human disease mutations.
Sun, Song; Yang, Fan; Tan, Guihong; Costanzo, Michael; Oughtred, Rose; Hirschman, Jodi; Theesfeld, Chandra L; Bansal, Pritpal; Sahni, Nidhi; Yi, Song; Yu, Analyn; Tyagi, Tanya; Tie, Cathy; Hill, David E; Vidal, Marc; Andrews, Brenda J; Boone, Charles; Dolinski, Kara; Roth, Frederick P
2016-05-01
We can now routinely identify coding variants within individual human genomes. A pressing challenge is to determine which variants disrupt the function of disease-associated genes. Both experimental and computational methods exist to predict pathogenicity of human genetic variation. However, a systematic performance comparison between them has been lacking. Therefore, we developed and exploited a panel of 26 yeast-based functional complementation assays to measure the impact of 179 variants (101 disease- and 78 non-disease-associated variants) from 22 human disease genes. Using the resulting reference standard, we show that experimental functional assays in a 1-billion-year diverged model organism can identify pathogenic alleles with significantly higher precision and specificity than current computational methods. PMID:26975778
An extended set of yeast-based functional assays accurately identifies human disease mutations.
Sun, Song; Yang, Fan; Tan, Guihong; Costanzo, Michael; Oughtred, Rose; Hirschman, Jodi; Theesfeld, Chandra L; Bansal, Pritpal; Sahni, Nidhi; Yi, Song; Yu, Analyn; Tyagi, Tanya; Tie, Cathy; Hill, David E; Vidal, Marc; Andrews, Brenda J; Boone, Charles; Dolinski, Kara; Roth, Frederick P
2016-05-01
We can now routinely identify coding variants within individual human genomes. A pressing challenge is to determine which variants disrupt the function of disease-associated genes. Both experimental and computational methods exist to predict pathogenicity of human genetic variation. However, a systematic performance comparison between them has been lacking. Therefore, we developed and exploited a panel of 26 yeast-based functional complementation assays to measure the impact of 179 variants (101 disease- and 78 non-disease-associated variants) from 22 human disease genes. Using the resulting reference standard, we show that experimental functional assays in a 1-billion-year diverged model organism can identify pathogenic alleles with significantly higher precision and specificity than current computational methods.
Johnson, Erin R; Contreras-García, Julia
2011-08-28
We develop a new density-functional approach combining physical insight from chemical structure with treatment of multi-reference character by real-space modeling of the exchange-correlation hole. We are able to recover, for the first time, correct fractional-charge and fractional-spin behaviour for atoms of groups 1 and 2. Based on Becke's non-dynamical correlation functional [A. D. Becke, J. Chem. Phys. 119, 2972 (2003)] and explicitly accounting for core-valence separation and pairing effects, this method is able to accurately describe dissociation and strong correlation in s-shell many-electron systems.
ANALYTIC PROPERTIES OF THE LONGITUDINAL BEAM TRANSFER FUNCTION.
TOWNE, N.
2001-06-18
The frequency dependence of the longitudinal beam transfer function (BTF) in a storage ring, when expressed in a basis of azimuthal harmonics of the line density, is the Fourier transform of a causal function that depends on the radio-frequency potential well in which the bunch moves. The effect of all synchrotron harmonics are included in this function, which is derived from Krinsky and Wang's expression for the BTF expressed in the same basis (S. Krinsky and J.-M. Wang, Part. Accel. 17, 109-139 (1985)). Analytic properties of the terms of the BTF expressed in a series of synchrotron harmonics, which are approximately Shaposhnikova's BTF matrix elements (E. Shaposhnikova, CERN Report No. SL-94-19-RF (1994)), are studied through the large-argument asymptotics of corresponding causal functions.
NASA Astrophysics Data System (ADS)
Lee, Dong-Hoon; Kim, Ye-seul; Park, Hye-Suk; Lee, Young-Jin; Kim, Hee-Joung
2015-03-01
Image evaluation is necessary in digital radiography (DR) which is widely used in medical imaging. Among parameters of image evaluation, modulation transfer function (MTF) is the important factor in the field of medical imaging and necessary to obtain detective quantum efficiency (DQE) which represents overall performance of the detector signal-to-noise ratio. However, the accurate measurement of MTF is still not easy because of geometric effect, electric noise, quantum noise, and truncation error. Therefore, in order to improve accuracy of MTF, four experimental methods were tested in this study such as changing the tube current, applying smoothing method in edge spread function (ESF), adjusting line spread function (LSF) range, and changing tube angle. Our results showed that MTF's fluctuation was decreased by high tube current and smoothing method. However, tube current should not exceed detector saturation and smoothing in ESF causes a distortion in ESF and MTF. In addition, decreasing LSF range diminished fluctuation and the number of sampling in MTF and high tube angle generates degradation in MTF. Based on these results, excessively low tube current and the smoothing method should be avoided. Also, optimal range of LSF considering reduction of fluctuation and the number of sampling in MTF was necessary and precise tube angle is essential to obtain an accurate MTF. In conclusion, our results demonstrated that accurate MTF can be acquired.
A method for the accurate and smooth approximation of standard thermodynamic functions
NASA Astrophysics Data System (ADS)
Coufal, O.
2013-01-01
A method is proposed for the calculation of approximations of standard thermodynamic functions. The method is consistent with the physical properties of standard thermodynamic functions. This means that the approximation functions are, in contrast to the hitherto used approximations, continuous and smooth in every temperature interval in which no phase transformations take place. The calculation algorithm was implemented by the SmoothSTF program in the C++ language which is part of this paper. Program summaryProgram title:SmoothSTF Catalogue identifier: AENH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3807 No. of bytes in distributed program, including test data, etc.: 131965 Distribution format: tar.gz Programming language: C++. Computer: Any computer with gcc version 4.3.2 compiler. Operating system: Debian GNU Linux 6.0. The program can be run in operating systems in which the gcc compiler can be installed, see http://gcc.gnu.org/install/specific.html. RAM: 256 MB are sufficient for the table of standard thermodynamic functions with 500 lines Classification: 4.9. Nature of problem: Standard thermodynamic functions (STF) of individual substances are given by thermal capacity at constant pressure, entropy and enthalpy. STF are continuous and smooth in every temperature interval in which no phase transformations take place. The temperature dependence of STF as expressed by the table of its values is for further application approximated by temperature functions. In the paper, a method is proposed for calculating approximation functions which, in contrast to the hitherto used approximations, are continuous and smooth in every temperature interval. Solution method: The approximation functions are
NASA Astrophysics Data System (ADS)
Balabin, Roman M.; Lomakina, Ekaterina I.
2009-08-01
Artificial neural network (ANN) approach has been applied to estimate the density functional theory (DFT) energy with large basis set using lower-level energy values and molecular descriptors. A total of 208 different molecules were used for the ANN training, cross validation, and testing by applying BLYP, B3LYP, and BMK density functionals. Hartree-Fock results were reported for comparison. Furthermore, constitutional molecular descriptor (CD) and quantum-chemical molecular descriptor (QD) were used for building the calibration model. The neural network structure optimization, leading to four to five hidden neurons, was also carried out. The usage of several low-level energy values was found to greatly reduce the prediction error. An expected error, mean absolute deviation, for ANN approximation to DFT energies was 0.6±0.2 kcal mol-1. In addition, the comparison of the different density functionals with the basis sets and the comparison of multiple linear regression results were also provided. The CDs were found to overcome limitation of the QD. Furthermore, the effective ANN model for DFT/6-311G(3df,3pd) and DFT/6-311G(2df,2pd) energy estimation was developed, and the benchmark results were provided.
NASA Astrophysics Data System (ADS)
Krieger, J. B.; Chen, Jiqiang; Iafrate, G. J.; Savin, A.
1998-03-01
We have obtained an analytic approximation to E_c(r_g, ζ,G) where G is an energy gap separating the occupied and unoccupied states of a homogeneous electron gas for ζ=3D0 and ξ=3D1. When G=3D0, E_c(r_g, ζ) reduces to the usual LSD result. This functional is employed in calculating correlation energies for unpolarized atoms and ions for Z <= 18 by taking G[n]=3D1/8|nabla ln n|^2, which reduces to the ionization energy in the large r limit in an exact Kohn-Sham (KS) theory. The resulting functional is self-interaction-corrected employing a method which is invariant under a unitary transformation. We find that the application of this approach to the calculation of the Ec functional reduces the error in the LSD result by more than 95%. When the value of G is approximately corrected to include the effect of higher lying unoccupied localized states, the resulting values of Ec are within a few percent of the exact results.
Transferred interbacterial antagonism genes augment eukaryotic innate immune function.
Chou, Seemay; Daugherty, Matthew D; Peterson, S Brook; Biboy, Jacob; Yang, Youyun; Jutras, Brandon L; Fritz-Laylin, Lillian K; Ferrin, Michael A; Harding, Brittany N; Jacobs-Wagner, Christine; Yang, X Frank; Vollmer, Waldemar; Malik, Harmit S; Mougous, Joseph D
2015-02-01
Horizontal gene transfer allows organisms to rapidly acquire adaptive traits. Although documented instances of horizontal gene transfer from bacteria to eukaryotes remain rare, bacteria represent a rich source of new functions potentially available for co-option. One benefit that genes of bacterial origin could provide to eukaryotes is the capacity to produce antibacterials, which have evolved in prokaryotes as the result of eons of interbacterial competition. The type VI secretion amidase effector (Tae) proteins are potent bacteriocidal enzymes that degrade the cell wall when delivered into competing bacterial cells by the type VI secretion system. Here we show that tae genes have been transferred to eukaryotes on at least six occasions, and that the resulting domesticated amidase effector (dae) genes have been preserved for hundreds of millions of years through purifying selection. We show that the dae genes acquired eukaryotic secretion signals, are expressed within recipient organisms, and encode active antibacterial toxins that possess substrate specificity matching extant Tae proteins of the same lineage. Finally, we show that a dae gene in the deer tick Ixodes scapularis limits proliferation of Borrelia burgdorferi, the aetiologic agent of Lyme disease. Our work demonstrates that a family of horizontally acquired toxins honed to mediate interbacterial antagonism confers previously undescribed antibacterial capacity to eukaryotes. We speculate that the selective pressure imposed by competition between bacteria has produced a reservoir of genes encoding diverse antimicrobial functions that are tailored for co-option by eukaryotic innate immune systems. PMID:25470067
Accurate Diels-Alder reaction energies from efficient density functional calculations.
Mezei, Pál D; Csonka, Gábor I; Kállay, Mihály
2015-06-01
We assess the performance of the semilocal PBE functional; its global hybrid variants; the highly parametrized empirical M06-2X and M08-SO; the range separated rCAM-B3LYP and MCY3; the atom-pairwise or nonlocal dispersion corrected semilocal PBE and TPSS; the dispersion corrected range-separated ωB97X-D; the dispersion corrected double hybrids such as PWPB95-D3; the direct random phase approximation, dRPA, with Hartree-Fock, Perdew-Burke-Ernzerhof, and Perdew-Burke-Ernzerhof hybrid reference orbitals and the RPAX2 method based on a Perdew-Burke-Ernzerhof exchange reference orbitals for the Diels-Alder, DARC; and self-interaction error sensitive, SIE11, reaction energy test sets with large, augmented correlation consistent valence basis sets. The dRPA energies for the DARC test set are extrapolated to the complete basis set limit. CCSD(T)/CBS energies were used as a reference. The standard global hybrid functionals show general improvements over the typical endothermic energy error of semilocal functionals, but despite the increased accuracy the precision of the methods increases only slightly, and thus all reaction energies are simply shifted into the exothermic direction. Dispersion corrections give mixed results for the DARC test set. Vydrov-Van Voorhis 10 correction to the reaction energies gives superior quality results compared to the too-small D3 correction. Functionals parametrized for energies of noncovalent interactions like M08-SO give reasonable results without any dispersion correction. The dRPA method that seamlessly and theoretically correctly includes noncovalent interaction energies gives excellent results with properly chosen reference orbitals. As the results for the SIE11 test set and H2(+) dissociation show that the dRPA methods suffer from delocalization error, good reaction energies for the DARC test set from a given method do not prove that the method is free from delocalization error. The RPAX2 method shows good performance for the DARC
NASA Astrophysics Data System (ADS)
Małolepsza, Edyta; Witek, Henryk A.; Morokuma, Keiji
2005-09-01
An optimization technique for enhancing the quality of repulsive two-body potentials of the self-consistent-charge density-functional tight-binding (SCC-DFTB) method is presented and tested. The new, optimized potentials allow for significant improvement of calculated harmonic vibrational frequencies. Mean absolute deviation from experiment computed for a group of 14 hydrocarbons is reduced from 59.0 to 33.2 cm -1 and maximal absolute deviation, from 436.2 to 140.4 cm -1. A drawback of the new family of potentials is a lower quality of reproduced geometrical and energetic parameters.
Two functionally distinct kinetochore pools of BubR1 ensure accurate chromosome segregation
Zhang, Gang; Mendez, Blanca Lopez; Sedgwick, Garry G.; Nilsson, Jakob
2016-01-01
The BubR1/Bub3 complex is an important regulator of chromosome segregation as it facilitates proper kinetochore–microtubule interactions and is also an essential component of the spindle assembly checkpoint (SAC). Whether BubR1/Bub3 localization to kinetochores in human cells stimulates SAC signalling or only contributes to kinetochore–microtubule interactions is debated. Here we show that two distinct pools of BubR1/Bub3 exist at kinetochores and we uncouple these with defined BubR1/Bub3 mutants to address their function. The major kinetochore pool of BubR1/Bub3 is dependent on direct Bub1/Bub3 binding and is required for chromosome alignment but not for the SAC. A distinct pool of BubR1/Bub3 localizes by directly binding to phosphorylated MELT repeats on the outer kinetochore protein KNL1. When we prevent the direct binding of BubR1/Bub3 to KNL1 the checkpoint is weakened because BubR1/Bub3 is not incorporated into checkpoint complexes efficiently. In conclusion, kinetochore localization supports both known functions of BubR1/Bub3. PMID:27457023
Chon, K H; Cohen, R J; Holstein-Rathlou, N H
1997-01-01
A linear and nonlinear autoregressive moving average (ARMA) identification algorithm is developed for modeling time series data. The algorithm uses Laguerre expansion of kernals (LEK) to estimate Volterra-Wiener kernals. However, instead of estimating linear and nonlinear system dynamics via moving average models, as is the case for the Volterra-Wiener analysis, we propose an ARMA model-based approach. The proposed algorithm is essentially the same as LEK, but this algorithm is extended to include past values of the output as well. Thus, all of the advantages associated with using the Laguerre function remain with our algorithm; but, by extending the algorithm to the linear and nonlinear ARMA model, a significant reduction in the number of Laguerre functions can be made, compared with the Volterra-Wiener approach. This translates into a more compact system representation and makes the physiological interpretation of higher order kernels easier. Furthermore, simulation results show better performance of the proposed approach in estimating the system dynamics than LEK in certain cases, and it remains effective in the presence of significant additive measurement noise. PMID:9236985
NASA Astrophysics Data System (ADS)
Teipen, Brian Thomas
2000-12-01
Over the years, several optical and opto-electronic systems have been invented in order to reproduce or improve an ability to image a physical scene. Optical imaging (vision) delivers the capability to collect an enormous amount of information about the surrounding environment. The quality of any imaging system can be conveniently defined by the amount of information that is ultimately gathered. Information transfer is the fundamental process of imaging systems and often can be described in terms of linear systems. Conveniently, transfer functions common to linear systems theory (communications theory) can be adopted to accurately describe optical information transfer in imaging systems. In this dissertation, we report on the advancements of two areas of optical imaging. Firstly, we present a new measurement process involving pseudo-random spatial patterns generated with a liquid crystal display (LCD) that allows convenient determination of the spatial- frequency transfer function commonly known as the modulation transfer function (MTF) of digital imaging systems. We present horizontal and vertical MTF measurements for color and monochrome charge-coupled device (CCD) video systems, common to machine vision and robotic vision applications. Results are found to agree with previously applied methods of measuring imaging resolution, while increasing the speed, adaptability, and convenience of the measurement. Secondly, we present three-dimensional (3-D) shape measurements from a new experimental method using polarization-encoded spatial patterns. The measurement technique is an active method of vision using projected patterns from a LCD projector. Part of the polarization-encoded pattern, a sub-pattern that is a pseudo-random code, is dedicated to solve the difficult problem of measuring the absolute height of an object with edge discontinuities. This technique conveniently allows lost fringe-order information of the classic synthetic-fringe pattern to be regained.
Shen, Yan; Lou, Shuqin; Wang, Xin
2014-03-20
The evaluation accuracy of real optical properties of photonic crystal fibers (PCFs) is determined by the accurate extraction of air hole edges from microscope images of cross sections of practical PCFs. A novel estimation method of point spread function (PSF) based on Kalman filter is presented to rebuild the micrograph image of the PCF cross-section and thus evaluate real optical properties for practical PCFs. Through tests on both artificially degraded images and microscope images of cross sections of practical PCFs, we prove that the proposed method can achieve more accurate PSF estimation and lower PSF variance than the traditional Bayesian estimation method, and thus also reduce the defocus effect. With this method, we rebuild the microscope images of two kinds of commercial PCFs produced by Crystal Fiber and analyze the real optical properties of these PCFs. Numerical results are in accord with the product parameters.
Optical transfer function measurment facility for aerial survey cameras.
Bewsher, A; Powell, I
1994-10-01
The optical transfer function measurement facility developed at the National Research Council of Canada primarily for testing aerial survey cameras has been upgraded to perform the task in an appreciably more convenient manner. Modifications made to the facility, which is based on the line spread function technique, include the replacement of the cumbersome physical scanning mechanism and detector unit with a detector assembly comprising a relay lens and a linear photodiode array. While eliminating the need for physically scanning the line spread function, it did require a change of light source, a daylight filter, and a new computer software package. The new setup is described in this paper. Several aerial survey cameras have been evaluated with the system, and results are given for a fairly standard Zeiss camera. PMID:20941194
Geometrical modulation transfer function for different pixel active area shapes
NASA Astrophysics Data System (ADS)
Yadid-Pecht, Orly
2000-04-01
In this work we consider the effect of the pixel active area geometrical shape on the modulation transfer function (MTF) of an image sensor. When designing a CMOS Active Pixel Sensor, or a CCD or CID sensor for this matter, the active area of the pixel would have a certain geometrical shape which might not cover the whole pixel area. To improve the device performance, it is important to understand the effect this has on the pixel sensitivity and on the resulting MTF. We perform a theoretical analysis of the MTF for the active area shape and derive explicit formulas for the transfer function for pixel arrays with a square, a rectangular and an L shaped active area (most commonly used), and generalize for any connected active area shape. Preliminary experimental results of subpixel scanning sensitivity maps and the corresponding MTFs have also bee obtained, which confirm the theoretical derivations. Both the simulation results and the MTF calculated from the point spread function measurements of the actual pixel arrays show that the active area shape contributes significantly to the behavior of the overall MTF. The results also indicate that for any potential pixel active area shape, the effect of its diversion from the square pixel could be calculated, so that tradeoff between the conflicting requirements, such as SNR and MTF, could be compared per each pixel design for better overall sensor performance.
NASA Astrophysics Data System (ADS)
Buda, Ioana-Gianina; Lane, Christopher; Barbiellini, Bernardo; Ruzsinszky, Adrienn; Sun, Jianwei; Perdew, John P.; Bansil, Arun
The exact ground-state properties of a material can be derived from the single-particle Kohn-Sham equations within the framework of the Density Functional Theory (DFT), provided the exact exchange-correlation potential is known. The simplest approximation is the local density approximation (LDA), but it usually leads to overbinding in molecules and solids. On the other hand, the generalized gradient approximation (GGA) introduces corrections that expand and soften bonds. The newly developed nonempirical SCAN (strongly-constrained and appropriately-normed) MetaGGA [Phys. Rev. Lett. 115, 036402] has been shown to be comparable in efficiency to LDA and GGA, and to significantly improve LDA and the Perdew-Burke-Ernzerhof version of the GGA for ground-state properties such as equilibrium geometry and lattice constants for a number of standard datasets for molecules and solids. Here we discuss the performance of SCAN MetaGGA for thin films and monolayers and demonstrate improvements of predicted ground-state properties. Examples include graphene, phosphorene and MoS2.
Accurate alignment of functional EPI data to anatomical MRI using a physics-based distortion model.
Studholme, C; Constable, R T; Duncan, J S
2000-11-01
Mapping of functional magnetic resonance imaging (fMRI) to conventional anatomical MRI is a valuable step in the interpretation of fMRI activations. One of the main limits on the accuracy of this alignment arises from differences in the geometric distortion induced by magnetic field inhomogeneity. This paper describes an approach to the registration of echo planar image (EPI) data to conventional anatomical images which takes into account this difference in geometric distortion. We make use of an additional spin echo EPI image and use the known signal conservation in spin echo distortion to derive a specialized multimodality nonrigid registration algorithm. We also examine a plausible modification using log-intensity evaluation of the criterion to provide increased sensitivity in areas of low EPI signal. A phantom-based imaging experiment is used to evaluate the behavior of the different criteria, comparing nonrigid displacement estimates to those provided by a imagnetic field mapping acquisition. The algorithm is then applied to a range of nine brain imaging studies illustrating global and local improvement in the anatomical alignment and localization of fMRI activations.
Accurate predictions of C-SO2R bond dissociation enthalpies using density functional theory methods.
Yu, Hai-Zhu; Fu, Fang; Zhang, Liang; Fu, Yao; Dang, Zhi-Min; Shi, Jing
2014-10-14
The dissociation of the C-SO2R bond is frequently involved in organic and bio-organic reactions, and the C-SO2R bond dissociation enthalpies (BDEs) are potentially important for understanding the related mechanisms. The primary goal of the present study is to provide a reliable calculation method to predict the different C-SO2R bond dissociation enthalpies (BDEs). Comparing the accuracies of 13 different density functional theory (DFT) methods (such as B3LYP, TPSS, and M05 etc.), and different basis sets (such as 6-31G(d) and 6-311++G(2df,2p)), we found that M06-2X/6-31G(d) gives the best performance in reproducing the various C-S BDEs (and especially the C-SO2R BDEs). As an example for understanding the mechanisms with the aid of C-SO2R BDEs, some primary mechanistic studies were carried out on the chemoselective coupling (in the presence of a Cu-catalyst) or desulfinative coupling reactions (in the presence of a Pd-catalyst) between sulfinic acid salts and boryl/sulfinic acid salts.
Wang, Kui; Gao, Jianzhao; Shen, Shiyi; Tuszynski, Jack A.; Ruan, Jishou
2013-01-01
Since proteins carry out their functions through interactions with other molecules, accurately identifying the protein-ligand binding site plays an important role in protein functional annotation and rational drug discovery. In the past two decades, a lot of algorithms were present to predict the protein-ligand binding site. In this paper, we introduce statistical depth function to define negative samples and propose an SVM-based method which integrates sequence and structural information to predict binding site. The results show that the present method performs better than the existent ones. The accuracy, sensitivity, and specificity on training set are 77.55%, 56.15%, and 87.96%, respectively; on the independent test set, the accuracy, sensitivity, and specificity are 80.36%, 53.53%, and 92.38%, respectively. PMID:24195070
Jiang, Bin; Guo, Hua
2016-08-01
In search for an accurate description of the dissociative chemisorption of water on the Ni(111) surface, we report a new nine-dimensional potential energy surface (PES) based on a large number of density functional theory points using the RPBE functional. Seven-dimensional quantum dynamical calculations have been carried out on the RPBE PES, followed by site averaging and lattice effect corrections, yielding sticking probabilities that are compared with both the previous theoretical results based on a PW91 PES and experiment. It is shown that the RPBE functional increases the reaction barrier, but has otherwise a minor impact on the PES topography. Better agreement with experimental results is obtained with the new PES, but the agreement is still not quantitative. Possible sources of the remaining discrepancies are discussed.
Transfer function modeling of damping mechanisms in distributed parameter models
NASA Technical Reports Server (NTRS)
Slater, J. C.; Inman, D. J.
1994-01-01
This work formulates a method for the modeling of material damping characteristics in distributed parameter models which may be easily applied to models such as rod, plate, and beam equations. The general linear boundary value vibration equation is modified to incorporate hysteresis effects represented by complex stiffness using the transfer function approach proposed by Golla and Hughes. The governing characteristic equations are decoupled through separation of variables yielding solutions similar to those of undamped classical theory, allowing solution of the steady state as well as transient response. Example problems and solutions are provided demonstrating the similarity of the solutions to those of the classical theories and transient responses of nonviscous systems.
On identifying transfer functions and state equations for linear systems.
NASA Technical Reports Server (NTRS)
Shieh, L. S.; Chen, C. F.; Huang, C. J.
1972-01-01
Two methods are established for identifying constant-coefficient, C to the 2n power type of noise-free linear systems if the time response data of the input-output or of all states are known. 2n response data are required to identify an nth-order transfer function or state equation for an unknown linear system. The order of the unknown system can be identified by checking a sequence of determinants. The Z transform and its inversion are mainly used.
Analysis of diagnostic calorimeter data by the transfer function technique.
Delogu, R S; Poggi, C; Pimazzoni, A; Rossi, G; Serianni, G
2016-02-01
This paper describes the analysis procedure applied to the thermal measurements on the rear side of a carbon fibre composite calorimeter with the purpose of reconstructing the energy flux due to an ion beam colliding on the front side. The method is based on the transfer function technique and allows a fast analysis by means of the fast Fourier transform algorithm. Its efficacy has been tested both on simulated and measured temperature profiles: in all cases, the energy flux features are well reproduced and beamlets are well resolved. Limits and restrictions of the method are also discussed, providing strategies to handle issues related to signal noise and digital processing. PMID:26932104
Autologous Fat Transfer: An Aesthetic and Functional Refinement for Parotidectomy
Vico, Pierre G.; Delange, Axel; De Vooght, Axel
2014-01-01
Parotidectomy is a surgical procedure associated to functional (Frey's syndrome) as well as aesthetic (facial asymmetry) complications that can be very disturbing for the patient. Several procedures have been described to primarily avoid or secondarily reconstruct the facial defect and treat the neurological iatrogenic syndrome. Autologous fat transfer was primarily used in 10 cases to avoid such complications. It is an easy technique widely used in cosmetic and reconstructive surgery. This technique gives very satisfying long-term results on the cosmetic as well as on the physiological point of view. PMID:25379564
Off-Axis Nulling Transfer Function Measurement: A First Assessment
NASA Technical Reports Server (NTRS)
Vedova, G. Dalla; Menut, J.-L.; Millour, F.; Petrov, R.; Cassaing, F.; Danchi, W. C.; Jacquinod, S.; Lhome, E.; Lopez, B.; Lozi, J.; Marcotto, A.; Parisot, J.; Reess, J.-M.
2013-01-01
We want to study a polychromatic inverse problem method with nulling interferometers to obtain information on the structures of the exozodiacal light. For this reason, during the first semester of 2013, thanks to the support of the consortium PERSEE, we launched a campaign of laboratory measurements with the nulling interferometric test bench PERSEE, operating with 9 spectral channels between J and K bands. Our objective is to characterise the transfer function, i.e. the map of the null as a function of wavelength for an off-axis source, the null being optimised on the central source or on the source photocenter. We were able to reach on-axis null depths better than 10(exp -4). This work is part of a broader project aiming at creating a simulator of a nulling interferometer in which typical noises of a real instrument are introduced. We present here our first results.
Briggs, Edward A; Besley, Nicholas A
2015-03-26
The electronic structure and photoinduced electron transfer processes in a K(+) fluorescent sensor that comprises a 4-amino-naphthalimide derived fluorophore with a triazacryptand ligand is investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT) in order to rationalize the function of the sensor. The absorption and emission energies of the intense electronic excitation localized on the fluorophore are accurately described using a ΔSCF Kohn-Sham DFT approach, which gives excitation energies closer to experiment than TDDFT. Analysis of the molecular orbital diagram arising from DFT calculations for the isolated molecule or with implicit solvent cannot account for the function of the sensor, and it is necessary to consider the relative energies of the electronic states formed from the local excitation on the fluorophore and the lowest fluorophore → chelator charge transfer state. The inclusion of solvent in these calculations is critical since the strong interaction of the charge transfer state with the solvent lowers its energy below the local fluorophore excited state making a reductive photoinduced electron transfer possible in the absence of K(+), while no such process is possible when the sensor is bound to K(+). The rate of electron transfer is quantified using Marcus theory, which gives a rate of electron transfer of k(ET) = 5.98 × 10(6) s(-1).
Extracting electron transfer coupling elements from constrained density functional theory
NASA Astrophysics Data System (ADS)
Wu, Qin; Van Voorhis, Troy
2006-10-01
Constrained density functional theory (DFT) is a useful tool for studying electron transfer (ET) reactions. It can straightforwardly construct the charge-localized diabatic states and give a direct measure of the inner-sphere reorganization energy. In this work, a method is presented for calculating the electronic coupling matrix element (Hab) based on constrained DFT. This method completely avoids the use of ground-state DFT energies because they are known to irrationally predict fractional electron transfer in many cases. Instead it makes use of the constrained DFT energies and the Kohn-Sham wave functions for the diabatic states in a careful way. Test calculations on the Zn2+ and the benzene-Cl atom systems show that the new prescription yields reasonable agreement with the standard generalized Mulliken-Hush method. We then proceed to produce the diabatic and adiabatic potential energy curves along the reaction pathway for intervalence ET in the tetrathiafulvalene-diquinone (Q-TTF-Q) anion. While the unconstrained DFT curve has no reaction barrier and gives Hab≈17kcal /mol, which qualitatively disagrees with experimental results, the Hab calculated from constrained DFT is about 3kcal /mol and the generated ground state has a barrier height of 1.70kcal/mol, successfully predicting (Q-TTF-Q)- to be a class II mixed-valence compound.
[Development and technological transfer of functional pastas extended with legumes].
Granito, Marisela; Ascanio, Vanesa
2009-03-01
Development and technological transfer of functional pastas extended with legumes. Semolina pasta is a highly consumed foodstuff, the biological value of which is low because its protein is deficient in lysine. However, if the semolina is extended with legumes rich in this essential aminoacid, not only and aminoacid supplementation is produced, but also the dietary fibre and minerals are increased. In this work, pastas extended in 10% with a white variety of Phaseolus vulgaris and with Cajanus cajan were produced on a pilot plant scale, and this technology was transferred to a cooperative producing artisanal pastas. The cooking qualities and the physical, chemical, and nutritional characteristics of the pastas were evaluated, as well as the sensorial acceptability in institutionalized elderly people. The extension of the pastas with legume flours increased the optimum cooking time (15 to 20%), the weight (20% and 25%), and the loss of solids by cooking. Similarly, the functional value of the pastas increased by increasing the contents of minerals and dietary fibre. The protein content, as well as the protein digestibility in vitro also increased; however, the parameters of colour L, a and b, and the total starch content of the pastas decreased. At consumer level, the pastas extended with legumes had a good acceptability, for what it was concluded that the extension of the semolina with legume flours in the manufacture of pastas is technologically feasible. PMID:19480347
Transfer Function between EEG and BOLD Signals of Epileptic Activity
Leite, Marco; Leal, Alberto; Figueiredo, Patrícia
2013-01-01
Simultaneous electroencephalogram (EEG)-functional Magnetic Resonance Imaging (fMRI) recordings have seen growing application in the evaluation of epilepsy, namely in the characterization of brain networks related to epileptic activity. In EEG-correlated fMRI studies, epileptic events are usually described as boxcar signals based on the timing information retrieved from the EEG, and subsequently convolved with a hemodynamic response function to model the associated Blood Oxygen Level Dependent (BOLD) changes. Although more flexible approaches may allow a higher degree of complexity for the hemodynamics, the issue of how to model these dynamics based on the EEG remains an open question. In this work, a new methodology for the integration of simultaneous EEG-fMRI data in epilepsy is proposed, which incorporates a transfer function from the EEG to the BOLD signal. Independent component analysis of the EEG is performed, and a number of metrics expressing different models of the EEG-BOLD transfer function are extracted from the resulting time courses. These metrics are then used to predict the fMRI data and to identify brain areas associated with the EEG epileptic activity. The methodology was tested on both ictal and interictal EEG-fMRI recordings from one patient with a hypothalamic hamartoma. When compared to the conventional analysis approach, plausible, consistent, and more significant activations were obtained. Importantly, frequency-weighted EEG metrics yielded superior results than those weighted solely on the EEG power, which comes in agreement with previous literature. Reproducibility, specificity, and sensitivity should be addressed in an extended group of patients in order to further validate the proposed methodology and generalize the presented proof of concept. PMID:23355832
Boyanovsky, D.; Vega, H. deJ.; Sanchez, N. G.
2008-09-15
The transfer function T(k) of dark matter (DM) perturbations during matter domination is obtained by solving the linearized collisionless Boltzmann-Vlasov equation. We provide an exact expression for T(k) for arbitrary distribution functions of decoupled particles and initial conditions, which can be systematically expanded in a Fredholm series. An exhaustive numerical study of thermal relics for different initial conditions reveals that the first two terms in the expansion of T(k) provide a remarkably accurate and simple approximation valid on all scales of cosmological relevance for structure formation in the linear regime. The natural scale of suppression is the free-streaming wave vector at matter-radiation equality, k{sub fs}(t{sub eq})=[4{pi}{rho}{sub 0M}/[
5 CFR 353.109 - Transfer of function to another agency.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Transfer of function to another agency... Transfer of function to another agency. If the function of an employee absent because of uniformed service or compensable injury is transferred to another agency, and if the employee would have...
5 CFR 353.109 - Transfer of function to another agency.
Code of Federal Regulations, 2012 CFR
2012-01-01
... 5 Administrative Personnel 1 2012-01-01 2012-01-01 false Transfer of function to another agency... Transfer of function to another agency. If the function of an employee absent because of uniformed service or compensable injury is transferred to another agency, and if the employee would have...
5 CFR 353.109 - Transfer of function to another agency.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 5 Administrative Personnel 1 2011-01-01 2011-01-01 false Transfer of function to another agency... Transfer of function to another agency. If the function of an employee absent because of uniformed service or compensable injury is transferred to another agency, and if the employee would have...
5 CFR 353.109 - Transfer of function to another agency.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 5 Administrative Personnel 1 2014-01-01 2014-01-01 false Transfer of function to another agency... Transfer of function to another agency. If the function of an employee absent because of uniformed service or compensable injury is transferred to another agency, and if the employee would have...
5 CFR 353.109 - Transfer of function to another agency.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 5 Administrative Personnel 1 2013-01-01 2013-01-01 false Transfer of function to another agency... Transfer of function to another agency. If the function of an employee absent because of uniformed service or compensable injury is transferred to another agency, and if the employee would have...
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…
Head-related transfer function database and its analyses
NASA Astrophysics Data System (ADS)
Xie, Bosun; Zhong, Xiaoli; Rao, Dan; Liang, Zhiqiang
2007-06-01
Based on the measurements from 52 Chinese subjects (26 males and 26 females), a high-spatial-resolution head-related transfer function (HRTF) database with corresponding anthropometric parameters is established. By using the database, cues relating to sound source localization, including interaural time difference (ITD), interaural level difference (ILD), and spectral features introduced by pinna, are analyzed. Moreover, the statistical relationship between ITD and anthropometric parameters is estimated. It is proved that the mean values of maximum ITD for male and female are significantly different, so are those for Chinese and western subjects. The difference in ITD is due to the difference in individual anthropometric parameters. It is further proved that the spectral features introduced by pinna strongly depend on individual; while at high frequencies (f ⩾ 5.5 kHz), HRTFs are left-right asymmetric. This work is instructive and helpful for the research on binaural hearing and applications on virtual auditory in future.
LANDSAT-4 Thematic Mapper Modulation Transfer Function (MTF) evaluation
NASA Technical Reports Server (NTRS)
Schowengerdt, R. (Principal Investigator)
1985-01-01
The Modulation Transfer Function (MTF) for thematic mapping (TM) bands 3, 4, 5 and 7 is reliably estimated with the San Mateo Bridge target in the 12/31/82 scene. These results are to be compared with those from the 8/12/83 scene. Bands 1, 2 and 6 are to be analyzed with a different target possessing greater contrast. This may be possible with the underflight data comparison currently underway. The registration of this data to the TM image of 8/12/83 for a region arround the Stockton sewage pond east of San Francisco has begun. This particular approach has the advantage that the full two-dimensional MFT will be measured instead of the MFT in only one azimuth as reported.
Himalayan sediment fluxes and the floodplain transfer function
NASA Astrophysics Data System (ADS)
Lupker, Maarten; Lavé, Jérôme; France-Lanord, Christian; Blard, Pierre Henri
2013-04-01
Erosion produces sediments and thereby redistributes mass at the Earth surface. A better understanding of these erosion processes can be gained by studying the products of erosion, i.e. the nature, magnitude and variability of sediment fluxes. On continents, rivers are the main conveyer belts that transport these sediments from source to sink. Owing to the integrative nature of river networks, a downstream river reach can be used to infer erosion processes that occur in upstream catchments. However on large spatial scales, sediment transport processes may affect the sedimentary signal so that the quantification of upstream erosion may not be straightforward. This is especially the case for continental scale basins: sediment sources are separated from sedimentary basins by large alluvial floodplains, where sediments are transported over hundreds to thousands of kilometers. The floodplain transfer function needs to be understood whenever modern river sediments or sedimentary archives are used to reconstruct present and past erosion processes. In this contribution we discuss the magnitude of sediment fluxes from the Himalayan system using sediment gauging and cosmogenic nuclide data and address to what extent sediment transport may bias these estimates. The central part of the Himalayan range is drained by two major rivers, the Ganga and Brahmaputra that convey the products of Himalayan erosion over an extensive floodplain and ultimately to the Indian Ocean. This transfer may bias erosion rates derived from gauged sediment fluxes as part of the sediment flux is trapped in the subsiding foreland basin. This storage term remains however limited and can be quantified using a geochemical budget approach [1]. Floodplain transfer may also affect cosmogenic nuclide derived sediment budgets as sediments may accumulate nuclides during transport which will increase the overall nuclide concentration and hence lead to under-estimate denudation rates. By comparing cosmogenic
Bai, Fang; Liao, Sha; Gu, Junfeng; Jiang, Hualiang; Wang, Xicheng; Li, Honglin
2015-04-27
Metalloproteins, particularly zinc metalloproteins, are promising therapeutic targets, and recent efforts have focused on the identification of potent and selective inhibitors of these proteins. However, the ability of current drug discovery and design technologies, such as molecular docking and molecular dynamics simulations, to probe metal-ligand interactions remains limited because of their complicated coordination geometries and rough treatment in current force fields. Herein we introduce a robust, multiobjective optimization algorithm-driven metalloprotein-specific docking program named MpSDock, which runs on a scheme similar to consensus scoring consisting of a force-field-based scoring function and a knowledge-based scoring function. For this purpose, in this study, an effective knowledge-based zinc metalloprotein-specific scoring function based on the inverse Boltzmann law was designed and optimized using a dynamic sampling and iteration optimization strategy. This optimization strategy can dynamically sample and regenerate decoy poses used in each iteration step of refining the scoring function, thus dramatically improving both the effectiveness of the exploration of the binding conformational space and the sensitivity of the ranking of the native binding poses. To validate the zinc metalloprotein-specific scoring function and its special built-in docking program, denoted MpSDockZn, an extensive comparison was performed against six universal, popular docking programs: Glide XP mode, Glide SP mode, Gold, AutoDock, AutoDock4Zn, and EADock DSS. The zinc metalloprotein-specific knowledge-based scoring function exhibited prominent performance in accurately describing the geometries and interactions of the coordination bonds between the zinc ions and chelating agents of the ligands. In addition, MpSDockZn had a competitive ability to sample and identify native binding poses with a higher success rate than the other six docking programs.
Analysis of Transport Through a Fault Using Transfer Functions
NASA Astrophysics Data System (ADS)
Su, G. W.; Salve, R.
2003-12-01
Understanding flow and transport in unsaturated fractured rock (i.e., matrix and fracture flow, and fracture-matrix interactions) is important for performance assessment and the design of the proposed radioactive waste repository at Yucca Mountain, Nevada. A key factor affecting performance of the proposed repository is the transport of radionuclides through unsaturated fractured rock that lies between the repository horizon and water table located ~300 m below. Of particular importance is the need for an understanding of diffusive mass transfer between high-permeability, advection-dominated domains and low-permeability domains. An in situ field experiment was conducted in the Exploratory Studies Facility at Yucca Mountain, Nevada to examine flow and transport in the vicinity of a fault located in unsaturated fractured rock. This experiment involved the release of ~75,000 liters of ponded water over a period of 14 months directly into a near-vertical fault located in the fractured welded tuff of the Topopah Spring Tuff unit. Seepage rates were monitored in a large cavity (niche) excavated 20 m below where the water was released along the fault. Seven months after water was introduced, two conservative tracers (pentafluorobenzoic acid [PFBA] and bromide) were simultaneously released along the fault over a period of nine days. After the release of the tracers, seepage water was continuously collected from three locations in the niche and analyzed for the injected tracers. The results from this field experiment demonstrate that flow and transport near a fault located in unsaturated fractured rock is complex due to mechanisms such as dynamic flow behavior. Continuum-based models may not be applicable when these types of mechanisms affect flow and transport. Measured breakthrough curves from this field experiment are analyzed using transfer functions as an alternative to the continuum-based models, and the applicability of using transfer functions to describe transport
Pino, Francisco; Roé, Nuria; Aguiar, Pablo; Falcon, Carles; Ros, Domènec; Pavía, Javier
2015-02-15
Purpose: Single photon emission computed tomography (SPECT) has become an important noninvasive imaging technique in small-animal research. Due to the high resolution required in small-animal SPECT systems, the spatially variant system response needs to be included in the reconstruction algorithm. Accurate modeling of the system response should result in a major improvement in the quality of reconstructed images. The aim of this study was to quantitatively assess the impact that an accurate modeling of spatially variant collimator/detector response has on image-quality parameters, using a low magnification SPECT system equipped with a pinhole collimator and a small gamma camera. Methods: Three methods were used to model the point spread function (PSF). For the first, only the geometrical pinhole aperture was included in the PSF. For the second, the septal penetration through the pinhole collimator was added. In the third method, the measured intrinsic detector response was incorporated. Tomographic spatial resolution was evaluated and contrast, recovery coefficients, contrast-to-noise ratio, and noise were quantified using a custom-built NEMA NU 4–2008 image-quality phantom. Results: A high correlation was found between the experimental data corresponding to intrinsic detector response and the fitted values obtained by means of an asymmetric Gaussian distribution. For all PSF models, resolution improved as the distance from the point source to the center of the field of view increased and when the acquisition radius diminished. An improvement of resolution was observed after a minimum of five iterations when the PSF modeling included more corrections. Contrast, recovery coefficients, and contrast-to-noise ratio were better for the same level of noise in the image when more accurate models were included. Ring-type artifacts were observed when the number of iterations exceeded 12. Conclusions: Accurate modeling of the PSF improves resolution, contrast, and recovery
Tung, Wei-Cheng; Adamowicz, Ludwik
2014-03-28
Very accurate calculations of the ground-state potential energy curve (PEC) of the LiH{sup +} ion performed with all-electron explicitly correlated Gaussian functions with shifted centers are presented. The variational method is employed. The calculations involve optimization of nonlinear exponential parameters of the Gaussians performed with the aid of the analytical first derivatives of the energy determined with respect to the parameters. The diagonal adiabatic correction is also calculated for each PEC point. The PEC is then used to calculate the vibrational energies of the system. In that calculation, the non-adiabatic effects are accounted for by using an effective vibrational mass obtained by the minimization of the difference between the vibrational energies obtained from the calculations where the Born-Oppenheimer approximation was not assumed and the results of the present calculations.
NASA Astrophysics Data System (ADS)
Bechtold, Michel; Tegge, Arne; Leiber-Sauheitl, Katharina; Tiemeyer, Bärbel; Veldhuizen, Ab; Freibauer, Annette
2014-05-01
At the point scale, many studies on greenhouse gas (GHG) emissions from peatlands are focused on developing accurate transfer functions that relate the amount of GHG emissions to site characteristics, like water table depth, vegetation and physical and chemical soil properties. Given that for a specific peatland environment such a 'point-scale' transfer function is uniquely defined, it can be spatially applied when the necessary spatial information about the function parameters is available. Assuming the point-scale transfer function was developed on an annual time scale, the spatially-variable average site conditions of one year (e.g. annual mean water table depth) can be translated into a regional estimate of the total GHG budget. When the conditions of the system change, e.g. due to rewetting measures or different climatic conditions, changes of the regional GHG budget can be estimated by applying the point-scale transfer function to the new site conditions. Here, we discuss the behavior of the GHG budget variability against changes of the spatial water table depth distribution. The latter is obtained from spatially-distributed process-based hydrological modeling using the hydrological modeling framework SIMGRO (Alterra Wageningen). The interaction of groundwater, unsaturated zone and surface water fluxes was modeled for a peatland area of 200 ha (Großes Moor, Gifhorn, Germany) using spatial information on vegetation, peat layer thickness, hydraulic properties, surface water system, system boundary conditions and a laser-scan digital elevation model (DEM) as well as measured water level time series as calibration input. Based on the water level data from various hydrological scenarios, GHG budgets were estimated. Results demonstrate that the analysis of the GHG budgets as a function of different mean regional water table depths provides insights into the behavior of the regional GHG budget for the study area. The resulting curves can be called 'regional
Kim, Euitae; Shidahara, Miho; Tsoumpas, Charalampos; McGinnity, Colm J; Kwon, Jun Soo; Howes, Oliver D; Turkheimer, Federico E
2013-06-01
We validated the use of a novel image-based method for partial volume correction (PVC), structural-functional synergistic resolution recovery (SFS-RR) for the accurate quantification of dopamine synthesis capacity measured using [(18)F]DOPA positron emission tomography. The bias and reliability of SFS-RR were compared with the geometric transfer matrix (GTM) method. Both methodologies were applied to the parametric maps of [(18)F]DOPA utilization rates (ki(cer)). Validation was first performed by measuring repeatability on test-retest scans. The precision of the methodologies instead was quantified using simulated [(18)F]DOPA images. The sensitivity to the misspecification of the full-width-half-maximum (FWHM) of the scanner point-spread-function on both approaches was also assessed. In the in-vivo data, the ki(cer) was significantly increased by application of both PVC procedures while the reliability remained high (intraclass correlation coefficients >0.85). The variability was not significantly affected by either PVC approach (<10% variability in both cases). The corrected ki(cer) was significantly influenced by the FWHM applied in both the acquired and simulated data. This study shows that SFS-RR can effectively correct for partial volume effects to a comparable degree to GTM but with the added advantage that it enables voxelwise analyses, and that the FWHM used can affect the PVC result indicating the importance of accurately calibrating the FWHM used in the recovery model.
NASA Astrophysics Data System (ADS)
Sancho-García, J. C.
2012-05-01
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.
Zhou, Ning; Huang, Zhenyu; Dosiek, Luke; Trudnowski, Daniel J.; Pierre, John W.
2009-07-30
Power system mode shapes are key indication of how dynamic components participate in low-frequency oscillations. Traditionally, mode shapes are calculated from a linearized dynamic model. For large-scale power systems, obtaining accu-rate dynamic models is very difficult. Therefore, measurement-based mode shape estimation methods have certain advantages, especially for the application of real-time small signal stability monitoring. In this paper, a measurement-based mode shape iden-tification method is proposed. The general relationship between transfer function (TF) and mode shape is derived. As an example, a least square (LS) method is implemented to estimate mode shape using an autoregressive exogenous (ARX) model. The per-formance of the proposed method is evaluated by Monte-Carlo studies using simulation data from a 17-machine model. The re-sults indicate the validity of the proposed method in estimating mode shapes with reasonably good accuracy
NASA Technical Reports Server (NTRS)
Wenzel, Elizabeth M.; Arruda, Marianne; Kistler, Doris J.; Wightman, Frederic L.
1993-01-01
The paper investigates the accuracy of localization by inexperienced listeners of the direction (azimuth and elevation) of wideband noisebursts presented in the free-field or over headphones, with headphone stimuli being synthesized using head-related transfer functions (HRTFs) from a representative subject of Wightman and Kistler (1989). Many subjects showed high rates of front-back and up-down confusions that increased significantly for virtual sources compared to the free-field stimuli. When confusions were resolved, localization of virtual sources was quite accurate and comparable to the free-field sources for 12 out of 16 subjects. The results of this study suggest that, while the interaural cues to horizontal location are robust, the spectral cues considered important for resolving location along a particular cone-of-confusion are distorted by a synthesis process that uses nonindividualized HRTFs.
Separation of presampling and postsampling modulation transfer functions in infrared sensor systems
NASA Astrophysics Data System (ADS)
Espinola, Richard L.; Olson, Jeffrey T.; O'Shea, Patrick D.; Hodgkin, Van A.; Jacobs, Eddie L.
2006-05-01
New methods of measuring the modulation transfer function (MTF) of electro-optical sensor systems are investigated. These methods are designed to allow the separation and extraction of presampling and postsampling components from the total system MTF. The presampling MTF includes all the effects prior to the sampling stage of the imaging process, such as optical blur and detector shape. The postsampling MTF includes all the effects after sampling, such as interpolation filters and display characteristics. Simulation and laboratory measurements are used to assess the utility of these techniques. Knowledge of these components and inclusion into sensor models, such as the U.S. Army RDECOM CERDEC Night Vision and Electronic Sensors Directorate's NVThermIP, will allow more accurate modeling and complete characterization of sensor performance.
Optical transfer function of the supersonic mixing layer.
Gao, Qiong; Yi, Shihe; Jiang, Zongfu; He, Lin; Wang, Xiaohu
2012-12-01
The optical path difference (OPD) of the supersonic mixing layer with convective Mach number 0.5 is measured using the nanoparticle-based planar laser scattering technique, and its short-exposure optical transfer function (OTF) is computed with the proper orthogonal decomposition (POD). The OPD is analyzed from the viewpoint of structure function, and remarkable power law behavior is found. The power exponent is computed and analyzed. Taking the advantage of POD in capturing the energy of a signal, we present a model for the temporal evolution of OPD, which combines the deterministic and random factors together. With this model, the short-exposure OTF of the mixing layer is computed and analyzed. The amplitude modulation is evident at low frequencies, and it is almost negligible at high frequencies. The imaginary part of OTF for the mixing layer with developed vortex structures is of considerable amplitude, and the phase modulation becomes important for image degradation. We compare this phenomenon with the early result in aero-optics and explain it with the non-Gaussian statistics of OPD. PMID:23455913
Eibauer, Matthias; Hoffmann, Christian; Plitzko, Jürgen M; Baumeister, Wolfgang; Nickell, Stephan; Engelhardt, Harald
2012-12-01
Cryo-electron tomography in combination with subtomogram averaging allows to investigate the structure of protein assemblies in their natural environment in a close to live state. To make full use of the structural information contained in tomograms it is necessary to analyze the contrast transfer function (CTF) of projections and to restore the phases of higher spatial frequencies. CTF correction is however hampered by the difficulty of determining the actual defocus values from tilt series data, which is due to the low signal-to-noise ratio of electron micrographs. In this study, an extended acquisition scheme is introduced that enables an independent CTF determination. Two high-dose images are recorded along the tilt axis on both sides of each projection, which allow an accurate determination of the defocus values of these images. These values are used to calculate the CTF for each image of the tilt series. We applied this scheme to the mycobacterial outer membrane protein MspA reconstituted in lipid vesicles and tested several variants of CTF estimation in combination with subtomogram averaging and correction of the modulation transfer function (MTF). The 3D electron density map of MspA was compared with a structure previously determined by X-ray crystallography. We were able to demonstrate that structural information up to a resolution of 16.8Å can be recovered using our CTF correction approach, whereas the uncorrected 3D map had a resolution of only 26.2Å.
Shah, Rupal; Breeze, John; Chand, Mohit; Stockton, Peter
2016-06-01
The index of orthognathic functional treatment need (IOFTN) is a newly-proposed system to help to prioritise patients for orthognathic treatment. The five categories are similar to those used in orthodontics, but include additional parameters such as sleep apnoea and facial asymmetry. The aim of this audit was to validate the index and find out the potential future implications, should such a system ever be adopted by commissioners. We calculated the IOFTN category of 100 consecutive patients who had orthognathic surgery between 2010-14 using clinical notes, photographs, study models, and radiographs, and determined the number in categories 4 or 5, analogous to the current indications for orthodontic treatment within the NHS. Sufficient clinical information was available to categorise 59/100 patients, and 56 of the 59 (95%) were in either category 4 or 5. All three of the remaining patients (in categories 1-3) who were operated on were treated because of the anticipated favourable impact on their quality of life. The IOFTN has been proposed for use in future commissioning of orthognathic services within the NHS, and this study has confirmed its efficacy in prioritising treatment accurately, with 95% of patients being in categories 4 or 5. We recommend that the orthognathic treatment index be adapted to include additional psychosocial assessment so that patients who fall into the lower functional categories are not automatically excluded from this potentially life-changing treatment.
NASA Astrophysics Data System (ADS)
Karpenko, Alexander; Espinosa Leal, Leonardo; Caro, Miguel; Lehtomaki, Jouko; Lopez-Acevedo, Olga
Because of issues with accuracy and transferability of existing orbital-free (OF) density functionals, OF functional development remains an active research area. Due to numerical difficulties, all-electron self-consistent assessment of OF functionals is limited. Using the projector augmented wave method we compute OFDFT all-electron values and we evaluate the performance of a parametrized OF functional for atoms and molecules. We combine the parametrized Thomas-Fermi-Weizsäcker (TF-W) kinetic model λ and γ for the fractions of Weizsäcker and TF functionals, respectively, with LDA for atoms. We found that one-to-one relation between λ and γ values defines a region in parameter space that allows the atomic energies and eigenvalues to be approximated with a small average error with respect to the Kohn-Sham values. The optimum values is however different for every property and for every atom. Recently, these results have been combined to test parameter transferability from atoms to molecules and we expect will help for further systematic improvement of OF density functionals. Karpenko et al., in preparation.
NASA Astrophysics Data System (ADS)
Jiménez-Teja, Y.; Benítez, N.; Molino, A.; Fernandes, C. A. C.
2015-10-01
Photometric redshifts, which have become the cornerstone of several of the largest astronomical surveys like PanStarrs, DES, J-PAS and LSST, require precise measurements of galaxy photometry in different bands using a consistent physical aperture. This is not trivial, due to the variation in the shape and width of the point spread function (PSF) introduced by wavelength differences, instrument positions and atmospheric conditions. Current methods to correct for this effect rely on a detailed knowledge of PSF characteristics as a function of the survey coordinates, which can be difficult due to the relative paucity of stars tracking the PSF behaviour. Here we show that it is possible to measure accurate, consistent multicolour photometry without knowing the shape of the PSF. The Chebyshev-Fourier functions (CHEFs) can fit the observed profile of each object and produce high signal-to-noise integrated flux measurements unaffected by the PSF. These total fluxes, which encompass all the galaxy populations, are much more useful for galaxy evolution studies than aperture photometry. We compare the total magnitudes and colours obtained using our software to traditional photometry with SEXTRACTOR, using real data from the COSMOS survey and the Hubble Ultra-Deep Field (HUDF). We also apply the CHEF technique to the recently published eXtreme Deep Field (XDF) and compare the results to those from COLORPRO on the HUDF. We produce a photometric catalogue with 35 732 sources (10 823 with signal-to-noise ratio ≥5), reaching a photometric redshift precision of 2 per cent due to the extraordinary depth and wavelength coverage of the eXtreme Deep Field images.
Coherent transfer functions and extended depth of field
NASA Astrophysics Data System (ADS)
Villiger, M.; Pache, C.; Leitgeb, Rainer A.; Lasser, Theo
2010-02-01
To preserve the speed advantage of Fourier Domain detection in Optical Coherence Microscopy (OCM), extended depth of field (DOF) is needed. To assess and improve the DOF and the lateral resolution, we analyzed the coherent transfer function (CTF) of OCM. In the spectral domain detection, each wavelength has its own specific CTF, sampling a different part of the object's spatial frequency spectrum. For classical optics and increasing numerical apertures these regions start to overlap and bend, which limits the depth of field. Bessel-like beams produced by axicon lenses circumvent these detrimental effects, but introduce side lobes. Decoupling the detection and the illumination apertures gives more flexibility in engineering a CTF and optimizes the lateral resolution and the DOF at the same time all while reducing these side lobes. We evaluated different combinations of Gaussian and Bessel-like illumination and detection optics. Using Bessel-like beams as well in the illumination as in the detection paths, but with different side-lobe radii, we obtained a lateral resolution of 2μm invariant over an extended depth of field of more than 300μm, at a signal penalty of only 12dB compared to classical Gaussian optics.
Abstracting Attribute Space for Transfer Function Exploration and Design.
Maciejewski, Ross; Jang, Yun; Woo, Insoo; Jänicke, Heike; Gaither, Kelly P; Ebert, David S
2013-01-01
Currently, user centered transfer function design begins with the user interacting with a one or two-dimensional histogram of the volumetric attribute space. The attribute space is visualized as a function of the number of voxels, allowing the user to explore the data in terms of the attribute size/magnitude. However, such visualizations provide the user with no information on the relationship between various attribute spaces (e.g., density, temperature, pressure, x, y, z) within the multivariate data. In this work, we propose a modification to the attribute space visualization in which the user is no longer presented with the magnitude of the attribute; instead, the user is presented with an information metric detailing the relationship between attributes of the multivariate volumetric data. In this way, the user can guide their exploration based on the relationship between the attribute magnitude and user selected attribute information as opposed to being constrained by only visualizing the magnitude of the attribute. We refer to this modification to the traditional histogram widget as an abstract attribute space representation. Our system utilizes common one and two-dimensional histogram widgets where the bins of the abstract attribute space now correspond to an attribute relationship in terms of the mean, standard deviation, entropy, or skewness. In this manner, we exploit the relationships and correlations present in the underlying data with respect to the dimension(s) under examination. These relationships are often times key to insight and allow us to guide attribute discovery as opposed to automatic extraction schemes which try to calculate and extract distinct attributes a priori. In this way, our system aids in the knowledge discovery of the interaction of properties within volumetric data.
Ultrasonic backscatter from cancellous bone: the apparent backscatter transfer function.
Hoffmeister, Brent K; Mcpherson, Joseph A; Smathers, Morgan R; Spinolo, P Luke; Sellers, Mark E
2015-12-01
Ultrasonic backscatter techniques are being developed to detect changes in cancellous bone caused by osteoporosis. Many techniques are based on measurements of the apparent backscatter transfer function (ABTF), which represents the backscattered power from bone corrected for the frequency response of the measurement system. The ABTF is determined from a portion of the backscatter signal selected by an analysis gate of width τw delayed by an amount τd from the start of the signal. The goal of this study was to characterize the ABTF for a wide range of gate delays (1 μs ≤ τd ≤ 6 μs) and gate widths (1 μs ≤ τw ≤ 6 μs). Measurements were performed on 29 specimens of human cancellous bone in the frequency range 1.5 to 6.0 MHz using a broadband 5-MHz transducer. The ABTF was found to be an approximately linear function of frequency for most choices of τd and τw. Changes in τd and τw caused the frequency-averaged ABTF [quantified by apparent integrated backscatter (AIB)] and the frequency dependence of the ABTF [quantified by frequency slope of apparent backscatter (FSAB)] to change by as much as 24.6 dB and 6.7 dB/MHz, respectively. τd strongly influenced the measured values of AIB and FSAB and the correlation of AIB with bone density (-0.95 ≤ R ≤ +0.68). The correlation of FSAB with bone density was influenced less strongly by τd (-0.97 ≤ R ≤ -0.87). τw had a weaker influence than τd on the measured values of AIB and FSAB and the correlation of these parameters with bone density.
NASA Astrophysics Data System (ADS)
Kelbert, A.; Blum, C.
2015-12-01
Magnetotelluric Transfer Functions (MT TFs) represent most of the information about Earth electrical conductivity found in the raw electromagnetic data, providing inputs for further inversion and interpretation. To be useful for scientific interpretation, they must also contain carefully recorded metadata. Making these data available in a discoverable and citable fashion would provide the most benefit to the scientific community, but such a development requires that the metadata is not only present in the file but is also searchable. The most commonly used MT TF format to date, the historical Society of Exploration Geophysicists Electromagnetic Data Interchange Standard 1987 (EDI), no longer supports some of the needs of modern magnetotellurics, most notably accurate error bars recording. Moreover, the inherent heterogeneity of EDI's and other historic MT TF formats has mostly kept the community away from healthy data sharing practices. Recently, the MT team at Oregon State University in collaboration with IRIS Data Management Center developed a new, XML-based format for MT transfer functions, and an online system for long-term storage, discovery and sharing of MT TF data worldwide (IRIS SPUD; www.iris.edu/spud/emtf). The system provides a query page where all of the MT transfer functions collected within the USArray MT experiment and other field campaigns can be searched for and downloaded; an automatic on-the-fly conversion to the historic EDI format is also included. To facilitate conversion to the new, more comprehensive and sustainable, XML format for MT TFs, and to streamline inclusion of historic data into the online database, we developed a set of open source format conversion tools, which can be used for rotation of MT TFs as well as a general XML <-> EDI converter (https://seiscode.iris.washington.edu/projects/emtf-fcu). Here, we report on the newly established collaboration between the USGS Geomagnetism Program and the Oregon State University to gather
NASA Astrophysics Data System (ADS)
Ivashkov, D.; Batranin, A.; Mamyrbayev, T.
2016-01-01
In this paper presampled modulation transfer function of the 2D images obtained on the Phoenix Nanotom scanner was investigated with different measurement set-ups. Three parameters were chosen to investigate their influence on modulation transfer function: source- detector distance, tube current and binning mode. A simple method for modulation transfer function determination of digital imaging detectors from edge images was applied. The following results were achieved and briefly discussed: modulation transfer function improves with increase of the source-detector distance, slightly improves with increase of the current and remains constant for different binning modes. All measurements were carried out in University of Applied Sciences Upper Austria at Wels campus.
Identification of boiler inlet transfer functions and estimation of system parameters
NASA Technical Reports Server (NTRS)
Miles, J. H.
1972-01-01
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 of 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.
ERS-1 modulation transfer function impact on shoreline change model
NASA Astrophysics Data System (ADS)
Marghany, Maged
2003-11-01
The impact of wave spectra modulation transfer function (MTF) in shoreline change model accuracy has been presented. The MTF consisted of real aperture radar (RAR) and velocity-bunching which is utilized to map the wave spectra observed from ERS-1 into the observed real ocean wave spectra. Based on this information, the shoreline change model have developed. Two hypotheses were concerned with the shoreline change model based on ERS-1 wave spectra. First, there is a significant difference between RAR and velocity-bunching modulations for ERS-1 wave spectra modeling. Second, this significant difference is induced a different spatial variation for shoreline change pattern. This study shows that there was the significant difference between velocity-bunching and quasi-linear models. The study shows that velocity-bunching model produces wave spectra pattern approximately close to the real ocean wave compared to the quasi-linear model. The error percentage occurred with velocity-bunching and quasi-linear models were 33.5 and 46.7%, respectively. The highest rate of erosion occurred to the shore south of Chendering with -5 m per year and the highest rate of sedimentation occurred to north of Chendering headland with 3 m per year. It can be concluded that ERS-1 data could be used to model shoreline change and identify the locations of erosion and sedimentation. The sedimentation was occurred due to the effect of lowest wave spectra energy captured along the range direction while the erosion was occurred due to highest spectra energy captured near azimuth direction.
Is There a Linear Building Transfer Function for Small Excitation?
NASA Astrophysics Data System (ADS)
Clinton, J. F.; Heaton, T. H.
2003-12-01
application of linear transfer functions timely.
Determining dynamic properties of a nanoscale aerogel via an advanced transfer function method
NASA Astrophysics Data System (ADS)
Rashoff, Matthew
A newly-published transfer function method is employed to determine dynamic properties of an aerogel. Termed the "dynamic mass method," it can be applied to any porous, elastic material and is thought to be superior to previous methods because it employs a mass as a function of frequency and produces data that is frequency-dependent in the complex regime, which is a more accurate representation of elastic materials. Moreover, losses are determined seamlessly as imaginary components of their associated properties, which eliminates the need to calculate additional loss factors. The properties of this aerogel with respect to vibrational loading in particular are of interest because it has been manufactured relatively inexpensively compared to other similar materials currently available. The specimen is tested by fixing it between two steel plates of known mass and attaching the system to a shaker. Impulse-response data is collected by driving the shaker with a log-sweep-sine signal. Transforming the data into the frequency domain allows for spectral analysis of multiple properties, including dynamic mass, density, impedance, Young's modulus, and speed of sound in the material. The resulting data suggests that the frequency range for valid data is wider than those of previous implementations of other transfer function methods. Additionally, the material that was tested appears to be a good candidate for use as a vibration isolator because of its low ratio of input force to bottom and top acceleration at low frequencies, and because it is ductile in the same frequency range. However, the material's behavior in shear dynamic loading situations needs to be studied before anything definitive can be said about its potential as a commercial noise and vibration isolator.
NASA Astrophysics Data System (ADS)
Garland, Ryan; Irwin, Patrick Gerard Joseph
2016-10-01
Exoplanetary and brown dwarf atmospheres are extremely diverse environments ranging over many different temperatures, pressures, and compositions. In order to model the spectra produced by the these objects, a commonplace approach in exoplanetary science is to use cross-sections of individual gases to quickly calculate the atmospheric opacities. However, when combining multiple gases with non-monochromatic absorption coefficients, the multiplication property of transmission does not hold. The resulting spectra are hence unreliable. Extensive work was carried out on Solar System radiative transfer models to find an efficient alternative to line-by-line calculations of opacity which was more accurate than combining cross-sections, resulting in many band models and the correlated-k method. Here we illustrate the effect of using cross-sections to model typical brown dwarf and exoplanetary atmospheres (e.g. HD189733b), and compare them to the spectra calculated using the correlated-k method. We verify our correlated-k method using a line-by-line model. For the same objects, we also present the effects of pressure broadening on the resulting spectra. Considering both the method of calculation (i.e. cross-section or correlated-k) and the treatment of pressure broadening, we show that the differences in the spectra are immediately obvious and hugely significant. Entire spectral features can appear or disappear, changing the morphology of the spectra. For the inspected brown dwarfs, these spectral features can vary by up to three orders of magnitude in luminosity. For our exoplanets, the transit depth can vary by up to 1%. We conclude that each effect would change the retrieved system parameters (i.e. temperature and abundances) considerably.
Assessing the transferability of ecosystem service production estimates and functions
Estimates of ecosystem service (ES) production, and their responses to stressors or policy actions, may be obtained by direct measurement, other empirical studies, or modeling. Direct measurement is costly and often impractical, and thus many studies transfer ES production estim...
Transfer Function Calibration Using AN a2 Star
NASA Astrophysics Data System (ADS)
Lupie, Olivia
1996-07-01
This proposal acquires FGS TRANS mode scans on asingle star (HD89309) for use in the reference star transfer scanlibrary. These reference scans are crucial calibrations used in theanalysis of the transfer scans of multiple systems.The binary has been studied by Otto Franz and is a puresingle star. This star has been selected to replace areference star which has subsequently shown indications ofduplicity.
Ding, Dewu; Li, Ling; Shu, Chuanjun; Sun, Xiao
2016-01-01
Shewanella oneidensis MR-1 is capable of extracellular electron transfer (EET) and hence has attracted considerable attention. The EET pathways mainly consist of c-type cytochromes, along with some other proteins involved in electron transfer processes. By whole genome study and protein interactions inquisition, we constructed a large-scale electron transfer network containing 2276 interactions among 454 electron transfer related proteins in S. oneidensis MR-1. Using the k-shell decomposition method, we identified and analyzed distinct parts of the electron transfer network. We found that there was a negative correlation between the ks (k-shell values) and the average DR_100 (disordered regions per 100 amino acids) in every shell, which suggested that disordered regions of proteins played an important role during the formation and extension of the electron transfer network. Furthermore, proteins in the top three shells of the network are mainly located in the cytoplasm and inner membrane; these proteins can be responsible for transfer of electrons into the quinone pool in a wide variety of environmental conditions. In most of the other shells, proteins are broadly located throughout the five cellular compartments (cytoplasm, inner membrane, periplasm, outer membrane, and extracellular), which ensures the important EET ability of S. oneidensis MR-1. Specifically, the fourth shell was responsible for EET and the c-type cytochromes in the remaining shells of the electron transfer network were involved in aiding EET. Taken together, these results show that there are distinct functional parts in the electron transfer network of S. oneidensis MR-1, and the EET processes could achieve high efficiency through cooperation through such an electron transfer network. PMID:27148219
Camenares, Devin; Dulebohn, Daniel P; Svetlanov, Anton; Karzai, A Wali
2013-10-18
Unproductive ribosome stalling in eubacteria is resolved by the actions of SmpB protein and transfer messenger (tm) RNA. We examined the functional significance of conserved regions of SmpB and tmRNA to the trans-translation process. Our investigations reveal that the N-terminal 20 residues of SmpB, which are located near the ribosomal decoding center, are dispensable for all known SmpB activities. In contrast, a set of conserved residues that reside at the junction between the tmRNA-binding core and the C-terminal tail of SmpB play an important role in tmRNA accommodation. Our data suggest that the highly conserved glycine 132 acts as a flexible hinge that enables movement of the C-terminal tail, thus permitting proper positioning and establishment of the tmRNA open reading frame (ORF) as the surrogate template. To gain further insights into the function of the SmpB C-terminal tail, we examined the tagging activity of hybrid variants of tmRNA and the SmpB protein, in which the tmRNA ORF or the SmpB C-terminal tail was substituted with the equivalent but highly divergent sequences from Francisella tularensis. We observed that the hybrid tmRNA was active but resulted in less accurate selection of the resume codon. Cognate hybrid SmpB was necessary to restore activity. Furthermore, accurate tagging was observed when the identity of the resume codon was reverted from GGC to GCA. Taken together, these data suggest that the engagement of the tmRNA ORF and the selection of the correct translation resumption point are distinct activities that are influenced by independent tmRNA and SmpB determinants.
NASA Astrophysics Data System (ADS)
Trachsel, Mathias; Telford, Richard J.
2016-05-01
Conventional cross validation schemes for assessing transfer-function performance assume that observations are independent. In spatially structured environments this assumption is violated, resulting in over-optimistic estimates of transfer-function performance. H-block cross validation, where all samples within h kilometres of the test samples are omitted, is a method for obtaining unbiased transfer-function performance estimates. In this study, we assess three methods for determining the optimal h. Using simulated data, we find that all three methods result in comparable values of h. Applying the three methods to published transfer functions, we find they yield similar values for h. Some transfer functions perform notably worse when h-block cross validation is used.
NASA Astrophysics Data System (ADS)
Trachsel, M.; Telford, R. J.
2015-10-01
Conventional cross-validation schemes for assessing transfer-function performance assume that observations are independent. In spatially-structured environments this assumption is violated, resulting in over-optimistic estimates of transfer-function performance. H block cross-validation, where all samples within h km of the test samples are omitted is a method for obtaining unbiased transfer function performance estimates. In this study, we assess three methods for determining the optimal h. Using simulated data, we find that all three methods result in comparable values of h. Applying the three methods to published transfer functions, we find they yield similar values for h. Some transfer functions perform notably worse when h block cross-validation is used.
Hammond, J.; Govind, N.; Kowalski, K.; Autschbach, J.; Xantheas, S.; PNNL; Univ. of Buffalo
2009-12-07
The static dipole polarizabilities of water clusters (2 {le} N {le} 12) are determined at the coupled-cluster level of theory (CCSD). For the dipole polarizability of the water monomer it was determined that the role of the basis set is more important than that of electron correlation and that the basis set augmentation converges with two sets of diffuse functions. The CCSD results are used to benchmark a variety of density functionals while the performance of several families of basis sets (Dunning, Pople, and Sadlej) in producing accurate values for the polarizabilities was also examined. The Sadlej family of basis sets was found to produce accurate results when compared to the ones obtained with the much larger Dunning basis sets. It was furthermore determined that the PBE0 density functional with the aug-cc-pVDZ basis set produces overall remarkably accurate polarizabilities at a moderate computational cost.
Assessing groundwater quality trends in pumping wells using spatially varying transfer functions
NASA Astrophysics Data System (ADS)
Baillieux, A.; Moeck, C.; Perrochet, P.; Hunkeler, D.
2015-11-01
When implementing remediation programs to mitigate diffuse-source contamination of aquifers, tools are required to anticipate if the measures are sufficient to meet groundwater quality objectives and, if so, in what time frame. Transfer function methods are an attractive approach, as they are easier to implement than numerical groundwater models. However, transfer function approaches as commonly applied in environmental tracer studies are limited to a homogenous input of solute across the catchment area and a unique transfer compartment. The objective of this study was to develop and test an original approach suitable for the transfer of spatially varying inputs across multiple compartments (e.g. unsaturated and saturated zone). The method makes use of a double convolution equation accounting for transfer across two compartments separately. The modified transfer function approach was applied to the Wohlenschwil aquifer (Switzerland), using a formulation of the exponential model of solute transfer for application to subareas of aquifer catchments. A minimum of information was required: (1) delimitation of the capture zone of the outlet of interest; (2) spatial distribution of historical and future pollution input within the capture zone; (3) contribution of each subarea of the recharge zone to the flow at the outlet; (4) transfer functions of the pollutant in the aquifer. A good fit to historical nitrate concentrations at the pumping well was obtained. This suggests that the modified transfer function approach is suitable to explore the effect of environmental projects on groundwater concentration trends, especially at an early screening stage.
NASA Astrophysics Data System (ADS)
Qin, J.; Kamalabadi, F.; Makela, J. J.; Meier, R. J.
2015-12-01
Remote sensing of the nighttime OI 135.6-nm emission represents the primary means of quantifying the F-region ionospheric state from optical measurements. Despite its pervasive use for studying aeronomical processes, the interpretation of these emissions as a proxy for ionospheric state remains ambiguous in that the relative contributions of radiative recombination and mutual neutralization to the production and, especially, the effects of scattering and absorption on the transport of the 135.6-nm emissions have not been fully quantified. Moreover, an inversion algorithm, which is robust to varying ionospheric structures under different geophysical conditions, is yet to be developed for statistically optimal characterization of the ionospheric state. In this work, as part of the NASA ICON mission, we develop a comprehensive radiative transfer model from first principle to investigate the production and transport of the nighttime 135.6-nm emissions. The forward modeling investigation indicates that under certain conditions mutual neutralization can contribute up to ~38% to the 135.6-nm emissions. Moreover, resonant scattering and pure absorption can reduce the brightness observed in the limb direction by ~40% while enhancing the brightness in the nadir direction by ~25%. Further analysis shows that without properly addressing these effects in the inversion process, the peak electron density in the F-region ionosphere (NmF2) can be overestimated by up to ~24%. To address these issues, an inversion algorithm that properly accounts for the above-mentioned effects is proposed for accurate quantification of the ionospheric state using satellite measurements. The ill-posedness due to the intrinsic presence of noise in real data is coped with by incorporating proper regularizations that enforce either global smoothness or piecewise smoothness of the solution. Application to model-generated data with different signal-to-noise ratios show that the algorithm has achieved
The Transfer Velocity Project: A Comprehensive Look at the Transfer Function
ERIC Educational Resources Information Center
Hayward, Craig
2011-01-01
The 1999-2000 Transfer Velocity Project (TVP) cohort of 147,207 community college students is used to develop both a college-level endogenous model, appropriate for applied research and guidance for campus action, and a student-level model. Survival analysis (Cox regression) is employed to evaluate the relative contribution of 53 student-level…
Critical Race Theory and the Transfer Function: Introducing a Transfer Receptive Culture
ERIC Educational Resources Information Center
Jain, Dimpal; Herrera, Alfred; Bernal, Santiago; Solorzano, Daniel
2011-01-01
In California, the majority of students of color who enter postsecondary education do so in the community colleges. However large numbers of them leave and do not transfer to four-year institutions; in particular to highly selective pubic four-year colleges and universities. By using the theoretical perspective of critical race theory, transfer…
Modulation transfer function of a digital dental x-ray system.
Chen, S K; Hollender, L
1994-03-01
An impulse train method to control aliasing was used to measure the modulation transfer function of a digital dental x-ray system (RVG 32000 ZHR, Trophy Radiologie, Vincennes, France). The detector of this system is composed of an intensifying screen, a fiber optics taper, and a charged couple device chip. The modulation transfer function could not be measured by impulse method such as the line spread function or edge response function because of aliasing from undersampling of the digital system. The system modulation transfer function was difficult to recover at the spatial frequencies smaller than the Nyquist frequency. The modulation transfer function beyond the Nyquist frequencies was impossible to recover in this study.
Xu, Haojie; Lu, Yunfeng; Zhu, Shanan
2014-01-01
It is of significance to assess the dynamic spectral causality among physiological signals. Several practical estimators adapted from spectral Granger causality have been exploited to track dynamic causality based on the framework of time-varying multivariate autoregressive (tvMVAR) models. The non-zero covariance of the model’s residuals has been used to describe the instantaneous effect phenomenon in some causality estimators. However, for the situations with Gaussian residuals in some autoregressive models, it is challenging to distinguish the directed instantaneous causality if the sufficient prior information about the “causal ordering” is missing. Here, we propose a new algorithm to assess the time-varying causal ordering of tvMVAR model under the assumption that the signals follow the same acyclic causal ordering for all time lags and to estimate the instantaneous effect factor (IEF) value in order to track the dynamic directed instantaneous connectivity. The time-lagged adaptive directed transfer function (ADTF) is also estimated to assess the lagged causality after removing the instantaneous effect. In the present study, we firstly investigated the performance of the causal-ordering estimation algorithm and the accuracy of IEF value. Then, we presented the results of IEF and time-lagged ADTF method by comparing with the conventional ADTF method through simulations of various propagation models. Statistical analysis results suggest that the new algorithm could accurately estimate the causal ordering and give a good estimation of the IEF values in the Gaussian residual conditions. Meanwhile, the time-lagged ADTF approach is also more accurate in estimating the time-lagged dynamic interactions in a complex nervous system after extracting the instantaneous effect. In addition to the simulation studies, we applied the proposed method to estimate the dynamic spectral causality on real visual evoked potential (VEP) data in a human subject. Its usefulness in
Characterizing short-term stability for Boolean networks over any distribution of transfer functions
NASA Astrophysics Data System (ADS)
Seshadhri, C.; Smith, Andrew M.; Vorobeychik, Yevgeniy; Mayo, Jackson R.; Armstrong, Robert C.
2016-07-01
We present a characterization of short-term stability of Kauffman's N K (random) Boolean networks under arbitrary distributions of transfer functions. Given such a Boolean network where each transfer function is drawn from the same distribution, we present a formula that determines whether short-term chaos (damage spreading) will happen. Our main technical tool which enables the formal proof of this formula is the Fourier analysis of Boolean functions, which describes such functions as multilinear polynomials over the inputs. Numerical simulations on mixtures of threshold functions and nested canalyzing functions demonstrate the formula's correctness.
Seshadhri, C; Smith, Andrew M; Vorobeychik, Yevgeniy; Mayo, Jackson R; Armstrong, Robert C
2016-07-01
We present a characterization of short-term stability of Kauffman's NK (random) Boolean networks under arbitrary distributions of transfer functions. Given such a Boolean network where each transfer function is drawn from the same distribution, we present a formula that determines whether short-term chaos (damage spreading) will happen. Our main technical tool which enables the formal proof of this formula is the Fourier analysis of Boolean functions, which describes such functions as multilinear polynomials over the inputs. Numerical simulations on mixtures of threshold functions and nested canalyzing functions demonstrate the formula's correctness. PMID:27575142
Seshadhri, C; Smith, Andrew M; Vorobeychik, Yevgeniy; Mayo, Jackson R; Armstrong, Robert C
2016-07-01
We present a characterization of short-term stability of Kauffman's NK (random) Boolean networks under arbitrary distributions of transfer functions. Given such a Boolean network where each transfer function is drawn from the same distribution, we present a formula that determines whether short-term chaos (damage spreading) will happen. Our main technical tool which enables the formal proof of this formula is the Fourier analysis of Boolean functions, which describes such functions as multilinear polynomials over the inputs. Numerical simulations on mixtures of threshold functions and nested canalyzing functions demonstrate the formula's correctness.
Gao, Mingwu; Rose, William C; Fetics, Barry; Kass, David A; Chen, Chen-Huan; Mukkamala, Ramakrishna
2016-01-01
Generalized transfer functions (GTFs) are available to compute the more relevant central blood pressure (BP) waveform from a more easily measured radial BP waveform. However, GTFs are population averages and therefore may not adapt to variations in pulse pressure (PP) amplification (ratio of radial to central PP). A simple adaptive transfer function (ATF) was developed. First, the transfer function is defined in terms of the wave travel time and reflection coefficient parameters of an arterial model. Then, the parameters are estimated from the radial BP waveform by exploiting the observation that central BP waveforms exhibit exponential diastolic decays. The ATF was assessed using the original data that helped popularize the GTF. These data included radial BP waveforms and invasive reference central BP waveforms from cardiac catheterization patients. The data were divided into low, middle, and high PP amplification groups. The ATF estimated central BP with greater accuracy than GTFs in the low PP amplification group (e.g., central systolic BP and PP root-mean-square-errors of 3.3 and 4.2 mm Hg versus 6.2 and 7.1 mm Hg; p ≤ 0.05) while showing similar accuracy in the higher PP amplification groups. The ATF may permit more accurate, non-invasive central BP monitoring in elderly and hypertensive patients. PMID:27624389
Hahn, Jin-Oh; Reisner, Andrew T; Jaffer, Farouc A; Asada, H Harry
2012-03-01
This paper presents a new approach to the estimation of unknown central aortic blood pressure waveform from a directly measured peripheral blood pressure waveform, in which a physics-based model is employed to solve for a subject- and state-specific individualized transfer function (ITF). The ITF provides the means to estimate the unknown central aortic blood pressure from the peripheral blood pressure. Initial proof-of-principle for the ITF is demonstrated experimentally through an in vivo protocol. In swine subjects taken through wide range of physiologic conditions, the ITF was on average able to provide central aortic blood pressure waveforms more accurately than a nonindividualized transfer function. Its usefulness was most evident when the subject's pulse transit time deviated from normative values. In these circumstances, the ITF yielded statistically significant reductions over a nonindividualized transfer function in the following three parameters: 1) 30% reduction in the root-mean-squared error between estimated versus actual central aortic blood pressure waveform (p < 10 (-4)), 2) >50% reduction in the error between estimated versus actual systolic and pulse pressures ( p < 10 (-4)), and 3) a reduction in the overall breakdown rate (i.e., the frequency of estimation errors >3 mmHg, p < 10 (-4)). In conclusion, the ITF may offer an attractive alternative to existing methods that estimates the central aortic blood pressure waveform, and may be particularly useful in nonnormative physiologic conditions.
Gao, Mingwu; Rose, William C.; Fetics, Barry; Kass, David A.; Chen, Chen-Huan; Mukkamala, Ramakrishna
2016-01-01
Generalized transfer functions (GTFs) are available to compute the more relevant central blood pressure (BP) waveform from a more easily measured radial BP waveform. However, GTFs are population averages and therefore may not adapt to variations in pulse pressure (PP) amplification (ratio of radial to central PP). A simple adaptive transfer function (ATF) was developed. First, the transfer function is defined in terms of the wave travel time and reflection coefficient parameters of an arterial model. Then, the parameters are estimated from the radial BP waveform by exploiting the observation that central BP waveforms exhibit exponential diastolic decays. The ATF was assessed using the original data that helped popularize the GTF. These data included radial BP waveforms and invasive reference central BP waveforms from cardiac catheterization patients. The data were divided into low, middle, and high PP amplification groups. The ATF estimated central BP with greater accuracy than GTFs in the low PP amplification group (e.g., central systolic BP and PP root-mean-square-errors of 3.3 and 4.2 mm Hg versus 6.2 and 7.1 mm Hg; p ≤ 0.05) while showing similar accuracy in the higher PP amplification groups. The ATF may permit more accurate, non-invasive central BP monitoring in elderly and hypertensive patients. PMID:27624389
Directional 2D functions as models for fast layout pattern transfer verification
NASA Astrophysics Data System (ADS)
Torres, J. Andres; Hofmann, Mark; Otto, Oberdan
2009-03-01
As advanced manufacturing processes become more stable, the need to adapt new designs to fully utilize the available manufacturing technology becomes a key technologic differentiator. However, many times such gains can only be realized and evaluated during full chip analysis. It has been demonstrated that the most accurate layout verification methods require application of the actual OPC recipes along with most of the mask data preparation that defines the pattern transfer characteristics of the process. Still, this method in many instances is not sufficiently fast to be used in a layout creation environment which undergoes constant updates. By doing an analysis of typical mask data processing, it is possible to determine that the most CPUintensive computations are the OPC and contour simulation steps needed to perform layout printability checks. Several researchers have tried to reduce the time it takes to compute the OPC mask by introducing matrix convolutions of the layout with empirically calibrated two-dimensional functions. However, most of these approaches do not provide a sufficient speed-up since they only replace the OPC computation and still require a full contour computation. Another alternative is to try to find effective ways of pattern matching those topologies that will exhibit transfer difficulties4, but such methods lack the ability to be predictive beyond their calibration data. In this paper we present a methodology that includes common resolution enhancement techniques, such as retargeting and sub-resolution assist feature insertion, and which replaces the OPC computation and subsequent contour calculation with an edge bias function based on an empirically-calibrated, directional, two-dimensional function. Because the edge bias function does not provide adequate control over the corner locations, a spline-based smoothing process is applied. The outcome is a piecewise-linear curve similar to those obtained by full lithographic simulations. Our
NASA Technical Reports Server (NTRS)
Zoladz, Tom; Patel, Sandeep; Lee, Erik; Karon, Dave
2011-01-01
An advanced methodology for extracting the hydraulic dynamic pump transfer matrix (Yp) for a cavitating liquid rocket engine turbopump inducer+impeller has been developed. The transfer function is required for integrated vehicle pogo stability analysis as well as optimization of local inducer pumping stability. Laboratory pulsed subscale waterflow test of the J-2X oxygen turbo pump is introduced and our new extraction method applied to the data collected. From accurate measures of pump inlet and discharge perturbational mass flows and pressures, and one-dimensional flow models that represents complete waterflow loop physics, we are able to derive Yp and hence extract the characteristic pump parameters: compliance, pump gain, impedance, mass flow gain. Detailed modeling is necessary to accurately translate instrument plane measurements to the pump inlet and discharge and extract Yp. We present the MSFC Dynamic Lump Parameter Fluid Model Framework and describe critical dynamic component details. We report on fit minimization techniques, cost (fitness) function derivation, and resulting model fits to our experimental data are presented. Comparisons are made to alternate techniques for spatially translating measurement stations to actual pump inlet and discharge.
Transfer Function Bounds for Partial-unit-memory Convolutional Codes Based on Reduced State Diagram
NASA Technical Reports Server (NTRS)
Lee, P. J.
1984-01-01
The performance of a coding system consisting of a convolutional encoder and a Viterbi decoder is analytically found by the well-known transfer function bounding technique. For the partial-unit-memory byte-oriented convolutional encoder with m sub 0 binary memory cells and (k sub 0 m sub 0) inputs, a state diagram of 2(K) (sub 0) was for the transfer function bound. A reduced state diagram of (2 (m sub 0) +1) is used for easy evaluation of transfer function bounds for partial-unit-memory codes.
Analytical solution to the optical transfer function of a scattering medium with large particles.
Zege, E P; Kokhanovsky, A A
1994-09-20
A new analytical expression for the optical transfer function of multiple-scattering media such as clouds, mists, and dust aerosols is given in terms of their microphysical characteristics. The geometrical optics approximation is used to find local optical parameters of a scattering medium, including the simple approximation of the phase function, which is the key to the solution of the problem considered here. The optical transfer function is taken within a small-angle approximation of the radiative transfer theory. A comparison with Monte Carlo data shows a fairly satisfactory accuracy of our analytic formulas.
Time constants and transfer functions for a homogeneous 900 MWt metallic fueled LMR
Grimm, K.N.; Meneghetti, D.
1988-01-01
Nodal transfer functions are calculated for a 900 MWt U10Zr-fueled sodium cooled reactor. From the transfer functions the time constants, feedback reactivity transfer function coefficients, and power coefficients can be determined. These quantities are calculated for core fuel, upper and lower axial reflector steel, radial blanket fuel, radial reflector steel, and B/sub 4/C rod shaft expansion effect. The quantities are compared to the analogous quantities of a 60 MWt metallic-fueled sodium cooled Experimental Breeder Reactor II configuration. 8 refs., 2 figs., 6 tabs.
Addressing challenges of modulation transfer function measurement with fisheye lens cameras
NASA Astrophysics Data System (ADS)
Deegan, Brian M.; Denny, Patrick E.; Zlokolica, Vladimir; Dever, Barry; Russell, Laura
2015-03-01
Modulation transfer function (MTF) is a well defined and accepted method of measuring image sharpness. The slanted edge test, as defined in ISO12233 is a standard method of calculating MTF, and is widely used for lens alignment and auto-focus algorithm verification. However, there are a number of challenges which should be considered when measuring MTF in cameras with fisheye lenses. Due to trade-offs related Petzval curvature, planarity of the optical plane is difficult to achieve in fisheye lenses. It is therefore critical to have the ability to accurately measure sharpness throughout the entire image, particularly for lens alignment. One challenge for fisheye lenses is that, because of the radial distortion, the slanted edges will have different angles, depending on the location within the image and on the distortion profile of the lens. Previous work in the literature indicates that MTF measurements are robust for angles between 2 and 10 degrees. Outside of this range, MTF measurements become unreliable. Also, the slanted edge itself will be curved by the lens distortion, causing further measurement problems. This study summarises the difficulties in the use of MTF for sharpness measurement in fisheye lens cameras, and proposes mitigations and alternative methods.
Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander
2015-09-28
We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.
Janke, Svenja M.; Auerbach, Daniel J.; Kandratsenka, Alexander; Wodtke, Alec M.
2015-09-28
We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H–Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.
Pregnancy following nonsurgical donor ovum transfer to a functionally agonadal woman
Sauer, M.V.; Macaso, T.M.; Ishida, E.H.; Giudice, L.; Marshall, J.R.; Buster, J.E.
1987-08-01
We report this country's first nonsurgical donor ovum transfer pregnancy in a functionally agonadal woman who had received chemotherapy and radiation for Hodgkin's lymphoma. For women with ovarian failure, nonsurgical uterine lavage and ovum transfer may provide an opportunity for motherhood that was not possible previously.
Training and Transfer Effects of Executive Functions in Preschool Children
ERIC Educational Resources Information Center
Thorell, Lisa B.; Lindqvist, Sofia; Nutley, Sissela Bergman; Bohlin, Gunilla; Klingberg, Torkel
2009-01-01
Executive functions, including working memory and inhibition, are of central importance to much of human behavior. Interventions intended to improve executive functions might therefore serve an important purpose. Previous studies show that working memory can be improved by training, but it is unknown if this also holds for inhibition, and whether…
Bok, Jan; Schauer, Petr
2014-01-01
In the paper, the SEM detector is evaluated by the modulation transfer function (MTF) which expresses the detector's influence on the SEM image contrast. This is a novel approach, since the MTF was used previously to describe only the area imaging detectors, or whole imaging systems. The measurement technique and calculation of the MTF for the SEM detector are presented. In addition, the measurement and calculation of the detective quantum efficiency (DQE) as a function of the spatial frequency for the SEM detector are described. In this technique, the time modulated e-beam is used in order to create well-defined input signal for the detector. The MTF and DQE measurements are demonstrated on the Everhart-Thornley scintillation detector. This detector was alternated using the YAG:Ce, YAP:Ce, and CRY18 single-crystal scintillators. The presented MTF and DQE characteristics show good imaging properties of the detectors with the YAP:Ce or CRY18 scintillator, especially for a specific type of the e-beam scan. The results demonstrate the great benefit of the description of SEM detectors using the MTF and DQE. In addition, point-by-point and continual-sweep e-beam scans in SEM were discussed and their influence on the image quality was revealed using the MTF. PMID:24323770
Vectorial point spread function and optical transfer function in oblique plane imaging.
Kim, Jeongmin; Li, Tongcang; Wang, Yuan; Zhang, Xiang
2014-05-01
Oblique plane imaging, using remote focusing with a tilted mirror, enables direct two-dimensional (2D) imaging of any inclined plane of interest in three-dimensional (3D) specimens. It can image real-time dynamics of a living sample that changes rapidly or evolves its structure along arbitrary orientations. It also allows direct observations of any tilted target plane in an object of which orientational information is inaccessible during sample preparation. In this work, we study the optical resolution of this innovative wide-field imaging method. Using the vectorial diffraction theory, we formulate the vectorial point spread function (PSF) of direct oblique plane imaging. The anisotropic lateral resolving power caused by light clipping from the tilted mirror is theoretically analyzed for all oblique angles. We show that the 2D PSF in oblique plane imaging is conceptually different from the inclined 2D slice of the 3D PSF in conventional lateral imaging. Vectorial optical transfer function (OTF) of oblique plane imaging is also calculated by the fast Fourier transform (FFT) method to study effects of oblique angles on frequency responses.
Bok, Jan; Schauer, Petr
2014-01-01
In the paper, the SEM detector is evaluated by the modulation transfer function (MTF) which expresses the detector's influence on the SEM image contrast. This is a novel approach, since the MTF was used previously to describe only the area imaging detectors, or whole imaging systems. The measurement technique and calculation of the MTF for the SEM detector are presented. In addition, the measurement and calculation of the detective quantum efficiency (DQE) as a function of the spatial frequency for the SEM detector are described. In this technique, the time modulated e-beam is used in order to create well-defined input signal for the detector. The MTF and DQE measurements are demonstrated on the Everhart-Thornley scintillation detector. This detector was alternated using the YAG:Ce, YAP:Ce, and CRY18 single-crystal scintillators. The presented MTF and DQE characteristics show good imaging properties of the detectors with the YAP:Ce or CRY18 scintillator, especially for a specific type of the e-beam scan. The results demonstrate the great benefit of the description of SEM detectors using the MTF and DQE. In addition, point-by-point and continual-sweep e-beam scans in SEM were discussed and their influence on the image quality was revealed using the MTF.
Heart visualization based on hybrid transfer function using size and gradient.
Xia, Yong; Liu, Yixuan; Wang, Kuanquan
2014-01-01
Having the ability to visualize the heart clearly and precisely would be beneficial for pathology research, presurgical planning, and clinical approaches. Multi-dimensional transfer functions were employed to improve the overall performance of images. To provide a satisfactory visualization quality on the shape and boundaries of the heart, a new hybrid transfer function combining structure size with gradient was designed to highlight the area of the heart. Initially, a histogram of gradient and histogram of size was computed and then classification was performed for providing the spatial information. Finally, several hybrid strategies were presented for the design of the transfer function, including opacity and color. By experimental evaluation, the proposed hybrid transfer function visualized the cardiac outline and internal structure more clearly and easily.
Semi-automatic time-series transfer functions via temporal clustering and sequencing
Woodring, Jonathan L; Shen, H W
2009-01-01
When creating transfer functions for time-varying data, it is not clear what range of values to use for classification, as data value ranges and distributions change over time. In order to generate time-varying transfer functions, they search the data for classes that have similar behavior over time, assuming that data points that behave similarly belong to the same feature. They utilize a method they call temporal clustering and sequencing to find dynamic features in value space and create a corresponding transfer function. First, clustering finds groups of data points that have the same value space activity over time. Then, sequencing derives a progression of clusters over time, creating chains that follow value distribution changes. Finally, the cluster sequences are used to create transfer functions, as sequences describe the value range distributions over time in a data set.
An improved FORTRAN program for calculating modulation transfer functions: concise communication.
Benedetto, A R; Nusynowitz, M L
1977-01-01
An improved FORTRAN II program for calculating modulation transfer functions (MTFs) is presented. The program features (A) simplified input-data specifications; (B) a conversational mode of use; and (C) graphic printout of the MTF curve.
Structure/function studies of phosphoryl transfer by phosphoenolpyruvate carboxykinase.
Delbaere, Louis T J; Sudom, Athena M; Prasad, Lata; Leduc, Yvonne; Goldie, Hughes
2004-03-11
Phosphoenolpyruvate carboxykinase (PCK) catalyzes the conversion of oxaloacetate (OAA) to PEP and carbon dioxide with the subsequent conversion of nucleoside triphosphate to nucleoside diphosphate (NDP). The 1.9 A resolution structure of Escherichia coli PCK consisted of a 275-residue N-terminal domain and a 265-residue C-terminal domain with the active site located in a cleft between these domains. Each domain has an alpha/beta topology and the overall structure represents a new protein fold. Furthermore, PCK has a unique mononucleotide-binding fold. The 1.8 A resolution structure of the complex of ATP/Mg(2+)/oxalate with PCK revealed a 20 degrees hinge-like rotation of the N- and C-terminal domains, which closed the active site cleft. The ATP was found in the unusual syn conformation as a result of binding to the enzyme. Along with the side chain of Lys254, Mg(2+) neutralizes charges on the P beta and P gamma oxygen atoms of ATP and stabilizes an extended, eclipsed conformation of the P beta and P gamma phosphoryl groups. The sterically strained high-energy conformation likely lowers the free energy of activation for phosphoryl transfer. Additionally, the gamma-phosphoryl group becomes oriented in-line with the appropriate enolate oxygen atom, which strongly supports a direct S(N)2-type displacement of this gamma-phosphoryl group by the enolate anion. In the 2.0 A resolution structure of the complex of PCK/ADP/Mg(2+)/AlF(3), the AlF(3) moiety represents the phosphoryl group being transferred during catalysis. There are three positively charged groups that interact with the fluorine atoms, which are complementary to the three negative charges that would occur for an associative transition state. PMID:15023367
Measurement and modeling of transfer functions for lightning coupling into the Sago mine.
Morris, Marvin E.; Higgins, Matthew B.
2007-04-01
This report documents measurements and analytical modeling of electromagnetic transfer functions to quantify the ability of cloud-to-ground lightning strokes (including horizontal arc-channel components) to couple electromagnetic energy into the Sago mine located near Buckhannon, WV. Two coupling mechanisms were measured: direct and indirect drive. These transfer functions are then used to predict electric fields within the mine and induced voltages on conductors that were left abandoned in the sealed area of the Sago mine.
NASA Astrophysics Data System (ADS)
Wang, Hui; Campanyà, Joan
2016-04-01
A new method to Synthesis magnetotelluric (MT) data is proposed whereby the MT Time-series of local site are derived using an Inverse Fourier transform of electric and magnetic fields spectrum of local site, which are computed by Combining Interstation transfer functions and a Reference horizontal magnetic time series (STICIR). The method is based on the stability of interstation transfer function, assuming that the geoelectrical structures of the subsurface independent of time. Applying the suggested method, two interstation transfer functions need to be estimated: the quasi-MT impedance tensor and the interstation geomagnetic transfer functions, which are used to compute the horizontal electric fields and the vertical magnetic field at the local site, respectively. The interstation transfer functions can be estimated by single site robust or remote reference (RR) method if another reference site existed. STICIR provides a new way to synthesis MT time-series at the local site combining interstation transfer functions and the magnetic fields at a reference site. Due to this property, STICIR provides significant improvements processing MT data when time-series at the local site are affected by local noise or are truncated. A test with good quality of MT data shows that synthetic time-series are similar to natural electric and magnetic time series. For contaminated data example, when this method is used to remove noise present at the local site, the scatter of MT sounding curves are clear reduced, and the low frequency data quality are improved.
Transfer Relations Between Landscape Functions - The Hydrological Point of View
NASA Astrophysics Data System (ADS)
Fohrer, N.; Lenhart, T.; Eckhardt, K.; Frede, H.-G.
EC market policies and regional subsidy programs have an enormous impact on local land use. This has far reaching consequences on various landscape functions. In the joint research project SFB299 at the Giessen University the effect of land use options on economic, ecological and hydrological landscape functions are under investigation. The continuous time step model SWAT-G (Eckhardt et al., 2000; Arnold et al., 1998) is employed to characterize the influence of land use patterns on hydrological processes. The model was calibrated and validated employing a split sample approach. For two mesoscale watersheds (Aar, 60 km2; Dietzhölze, 81 km2) located in the Lahn-Dill- Bergland, Germany, different land use scenarios were analyzed with regard to their hydrological impact. Additionally the effect of land use change was analyzed with an ecological and an agro-economic model. The impact of the stepwise changing land use was expressed as trade off relations between different landscape functions.
LETTER TO THE EDITOR: Accurate Hylleraas-like functions for the He atom with correct cusp conditions
NASA Astrophysics Data System (ADS)
Rodriguez, K. V.; Gasaneo, G.
2005-08-01
In this letter, a set of ground state wavefunctions for the He atom is given. The functions are constructed in terms of exponential and power series as similar as possible to the Hylleraas functions of Chandrasekhar and Herzberg (1955 Phys. Rev. 98 1050). The accuracy of the calculated energies is found to be about 10-4 au and all the cusp conditions at the Coulomb singularities are satisfied. The nine-parameter functions proposed here are found to have better local energy than those given by the 6 and 14 terms Hylleraas functions of Chandrasekhar. The mean value of various functions evaluated with the different proposals shows their good quality. These properties highly qualify the function to be used as an alternative to the Chandrasekhar functions in collisional problems. The whole set of functions given here can be considered as an alternative to the proposals of Chandrasekhar (1955 Phys. Rev. 98 1050), Bonham and Kohl (1966 J. Chem. Phys. 45 2471) and Le Sech (1997 J. Phys. B: At. Mol. Opt. Phys. 30 L47).
Functionalization of Rhenium Aryl Bonds by O-Atom Transfer
Bischof, Steven M.; Cheng, Mu-Jeng; Nielsen, Robert J.; Gunnoe, T. Brent; Goddard, William A.; Periana, Roy A.
2011-03-29
Aryltrioxorhenium (ArReO_{3}) has been demonstrated to show rapid oxy-functionalization upon reaction with O-atom donors, YO, to selectively generate the corresponding phenols in near quantitative yields. ^{18}O-Labeling experiments show that the oxygen in the products is exclusively from YO. DFT studies reveal a 10.7 kcal/mol barrier (Ar = Ph) for oxy-functionalization with H_{2}O_{2} via a Baeyer-Villiger type mechanism involving nucleophilic attack of the aryl group on an electrophilic oxygen of YO coordinated to rhenium.
The use of algorithmic behavioural transfer functions in parametric EO system performance models
NASA Astrophysics Data System (ADS)
Hickman, Duncan L.; Smith, Moira I.
2015-10-01
The use of mathematical models to predict the overall performance of an electro-optic (EO) system is well-established as a methodology and is used widely to support requirements definition, system design, and produce performance predictions. Traditionally these models have been based upon cascades of transfer functions based on established physical theory, such as the calculation of signal levels from radiometry equations, as well as the use of statistical models. However, the performance of an EO system is increasing being dominated by the on-board processing of the image data and this automated interpretation of image content is complex in nature and presents significant modelling challenges. Models and simulations of EO systems tend to either involve processing of image data as part of a performance simulation (image-flow) or else a series of mathematical functions that attempt to define the overall system characteristics (parametric). The former approach is generally more accurate but statistically and theoretically weak in terms of specific operational scenarios, and is also time consuming. The latter approach is generally faster but is unable to provide accurate predictions of a system's performance under operational conditions. An alternative and novel architecture is presented in this paper which combines the processing speed attributes of parametric models with the accuracy of image-flow representations in a statistically valid framework. An additional dimension needed to create an effective simulation is a robust software design whose architecture reflects the structure of the EO System and its interfaces. As such, the design of the simulator can be viewed as a software prototype of a new EO System or an abstraction of an existing design. This new approach has been used successfully to model a number of complex military systems and has been shown to combine improved performance estimation with speed of computation. Within the paper details of the approach
Modeling the Transfer Function for the Dark Energy Survey
Chang, C.
2015-03-04
We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg2 coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared with themore » corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.« less
Modeling the Transfer Function for the Dark Energy Survey
Chang, C.
2015-03-04
We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg^{2} coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared with the corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.
Venner, Eric; Lisewski, Andreas Martin; Erdin, Serkan; Ward, R Matthew; Amin, Shivas R; Lichtarge, Olivier
2010-01-01
High-throughput Structural Genomics yields many new protein structures without known molecular function. This study aims to uncover these missing annotations by globally comparing select functional residues across the structural proteome. First, Evolutionary Trace Annotation, or ETA, identifies which proteins have local evolutionary and structural features in common; next, these proteins are linked together into a proteomic network of ETA similarities; then, starting from proteins with known functions, competing functional labels diffuse link-by-link over the entire network. Every node is thus assigned a likelihood z-score for every function, and the most significant one at each node wins and defines its annotation. In high-throughput controls, this competitive diffusion process recovered enzyme activity annotations with 99% and 97% accuracy at half-coverage for the third and fourth Enzyme Commission (EC) levels, respectively. This corresponds to false positive rates 4-fold lower than nearest-neighbor and 5-fold lower than sequence-based annotations. In practice, experimental validation of the predicted carboxylesterase activity in a protein from Staphylococcus aureus illustrated the effectiveness of this approach in the context of an increasingly drug-resistant microbe. This study further links molecular function to a small number of evolutionarily important residues recognizable by Evolutionary Tracing and it points to the specificity and sensitivity of functional annotation by competitive global network diffusion. A web server is at http://mammoth.bcm.tmc.edu/networks.
NASA Technical Reports Server (NTRS)
Ko, William L.; Fleischer, Van Tran
2012-01-01
In the formulations of earlier Displacement Transfer Functions for structure shape predictions, the surface strain distributions, along a strain-sensing line, were represented with piecewise linear functions. To improve the shape-prediction accuracies, Improved Displacement Transfer Functions were formulated using piecewise nonlinear strain representations. Through discretization of an embedded beam (depth-wise cross section of a structure along a strain-sensing line) into multiple small domains, piecewise nonlinear functions were used to describe the surface strain distributions along the discretized embedded beam. Such piecewise approach enabled the piecewise integrations of the embedded beam curvature equations to yield slope and deflection equations in recursive forms. The resulting Improved Displacement Transfer Functions, written in summation forms, were expressed in terms of beam geometrical parameters and surface strains along the strain-sensing line. By feeding the surface strains into the Improved Displacement Transfer Functions, structural deflections could be calculated at multiple points for mapping out the overall structural deformed shapes for visual display. The shape-prediction accuracies of the Improved Displacement Transfer Functions were then examined in view of finite-element-calculated deflections using different tapered cantilever tubular beams. It was found that by using the piecewise nonlinear strain representations, the shape-prediction accuracies could be greatly improved, especially for highly-tapered cantilever tubular beams.
Kanai, Y; Takeuchi, N
2009-10-14
We revisit the molecular line growth mechanism of styrene on the hydrogenated Si(001) 2x1 surface. In particular, we investigate the energetics of the radical chain reaction mechanism by means of diffusion quantum Monte Carlo (QMC) and density functional theory (DFT) calculations. For the exchange correlation (XC) functional we use the non-empirical generalized-gradient approximation (GGA) and meta-GGA. We find that the QMC result also predicts the intra dimer-row growth of the molecular line over the inter dimer-row growth, supporting the conclusion based on DFT results. However, the absolute magnitudes of the adsorption and reaction energies, and the heights of the energy barriers differ considerably between the QMC and DFT with the GGA/meta-GGA XC functionals.
NASA Astrophysics Data System (ADS)
Farlin, J.; Maloszewski, P.
2013-05-01
Baseflow recession analysis and groundwater dating have up to now developed as two distinct branches of hydrogeology and have been used to solve entirely different problems. We show that by combining two classical models, namely the Boussinesq equation describing spring baseflow recession, and the exponential piston-flow model used in groundwater dating studies, the parameters describing the transit time distribution of an aquifer can be in some cases estimated to a far more accurate degree than with the latter alone. Under the assumption that the aquifer basis is sub-horizontal, the mean transit time of water in the saturated zone can be estimated from spring baseflow recession. This provides an independent estimate of groundwater transit time that can refine those obtained from tritium measurements. The approach is illustrated in a case study predicting atrazine concentration trend in a series of springs draining the fractured-rock aquifer known as the Luxembourg Sandstone. A transport model calibrated on tritium measurements alone predicted different times to trend reversal following the nationwide ban on atrazine in 2005 with different rates of decrease. For some of the springs, the actual time of trend reversal and the rate of change agreed extremely well with the model calibrated using both tritium measurements and the recession of spring discharge during the dry season. The agreement between predicted and observed values was however poorer for the springs displaying the most gentle recessions, possibly indicating a stronger influence of continuous groundwater recharge during the summer months.
NASA Astrophysics Data System (ADS)
Farlin, J.; Maloszewski, P.
2012-12-01
Baseflow recession analysis and groundwater dating have up to now developed as two distinct branches of hydrogeology and were used to solve entirely different problems. We show that by combining two classical models, namely Boussinesq's Equation describing spring baseflow recession and the exponential piston-flow model used in groundwater dating studies, the parameters describing the transit time distribution of an aquifer can be in some cases estimated to a far more accurate degree than with the latter alone. Under the assumption that the aquifer basis is sub-horizontal, the mean residence time of water in the saturated zone can be estimated from spring baseflow recession. This provides an independent estimate of groundwater residence time that can refine those obtained from tritium measurements. This approach is demonstrated in a case study predicting atrazine concentration trend in a series of springs draining the fractured-rock aquifer known as the Luxembourg Sandstone. A transport model calibrated on tritium measurements alone predicted different times to trend reversal following the nationwide ban on atrazine in 2005 with different rates of decrease. For some of the springs, the best agreement between observed and predicted time of trend reversal was reached for the model calibrated using both tritium measurements and the recession of spring discharge during the dry season. The agreement between predicted and observed values was however poorer for the springs displaying the most gentle recessions, possibly indicating the stronger influence of continuous groundwater recharge during the dry period.
Geerligs, Linda; Cam-Can; Henson, Richard N
2016-07-15
Studies of brain-wide functional connectivity or structural covariance typically use measures like the Pearson correlation coefficient, applied to data that have been averaged across voxels within regions of interest (ROIs). However, averaging across voxels may result in biased connectivity estimates when there is inhomogeneity within those ROIs, e.g., sub-regions that exhibit different patterns of functional connectivity or structural covariance. Here, we propose a new measure based on "distance correlation"; a test of multivariate dependence of high dimensional vectors, which allows for both linear and non-linear dependencies. We used simulations to show how distance correlation out-performs Pearson correlation in the face of inhomogeneous ROIs. To evaluate this new measure on real data, we use resting-state fMRI scans and T1 structural scans from 2 sessions on each of 214 participants from the Cambridge Centre for Ageing & Neuroscience (Cam-CAN) project. Pearson correlation and distance correlation showed similar average connectivity patterns, for both functional connectivity and structural covariance. Nevertheless, distance correlation was shown to be 1) more reliable across sessions, 2) more similar across participants, and 3) more robust to different sets of ROIs. Moreover, we found that the similarity between functional connectivity and structural covariance estimates was higher for distance correlation compared to Pearson correlation. We also explored the relative effects of different preprocessing options and motion artefacts on functional connectivity. Because distance correlation is easy to implement and fast to compute, it is a promising alternative to Pearson correlations for investigating ROI-based brain-wide connectivity patterns, for functional as well as structural data.
NASA Technical Reports Server (NTRS)
Choi, Taeyong; Xiong, Xiaoxiong; Wang, Zhipeng
2013-01-01
Spatial quality of an imaging sensor can be estimated by evaluating its modulation transfer function (MTF) from many different sources such as a sharp edge, a pulse target, or bar patterns with different spatial frequencies. These well-defined targets are frequently used for prelaunch laboratory tests, providing very reliable and accurate MTF measurements. A laboratory-quality edge input source was included in the spatial-mode operation of the Spectroradiometric Calibration Assembly (SRCA), which is one of the onboard calibrators of the Moderate Resolution Imaging Spectroradiometer (MODIS). Since not all imaging satellites have such an instrument, SRCA MTF estimations can be used as a reference for an on-orbit lunar MTF algorithm and results. In this paper, the prelaunch spatial quality characterization process from the Integrated Alignment Collimator and SRCA is briefly discussed. Based on prelaunch MTF calibration using the SRCA, a lunar MTF algorithm is developed and applied to the lifetime on-orbit Terra and Aqua MODIS lunar collections. In each lunar collection, multiple scan-directionMoon-to-background transition profiles are aligned by the subpixel edge locations from a parametric Fermi function fit. Corresponding accumulated edge profiles are filtered and interpolated to obtain the edge spread function (ESF). The MTF is calculated by applying a Fourier transformation on the line spread function through a simple differentiation of the ESF. The lifetime lunar MTF results are analyzed and filtered by a relationship with the Sun-Earth-MODIS angle. Finally, the filtered lunarMTF values are compared to the SRCA MTF results. This comparison provides the level of accuracy for on-orbit MTF estimations validated through prelaunch SRCA measurements. The lunar MTF values had larger uncertainty than the SRCA MTF results; however, the ratio mean of lunarMTF fit and SRCA MTF values is within 2% in the 250- and 500-m bands. Based on the MTF measurement uncertainty range
a Radiative Transfer Equation/phase Function Approach to Vegetation Canopy Reflectance Modeling
NASA Astrophysics Data System (ADS)
Randolph, Marion Herbert
Vegetation canopy reflectance models currently in use differ considerably in their treatment of the radiation scattering problem, and it is this fundamental difference which stimulated this investigation of the radiative transfer equation/phase function approach. The primary objective of this thesis is the development of vegetation canopy phase functions which describe the probability of radiation scattering within a canopy in terms of its biological and physical characteristics. In this thesis a technique based upon quadrature formulae is used to numerically generate a variety of vegetation canopy phase functions. Based upon leaf inclination distribution functions, phase functions are generated for plagiophile, extremophile, erectophile, spherical, planophile, blue grama (Bouteloua gracilis), and soybean canopies. The vegetation canopy phase functions generated are symmetric with respect to the incident and exitant angles, and hence satisfy the principle of reciprocity. The remaining terms in the radiative transfer equation are also derived in terms of canopy geometry and optical properties to complete the development of the radiative transfer equation/phase function description for vegetation canopy reflectance modeling. In order to test the radiative transfer equation/phase function approach the iterative discrete ordinates method for solving the radiative transfer equation is implemented. In comparison with field data, the approach tends to underestimate the visible reflectance and overestimate infrared reflectance. The approach does compare well, however, with other extant canopy reflectance models; for example, it agrees to within ten to fifteen percent of the Suits model (Suits, 1972). Sensitivity analysis indicates that canopy geometry may influence reflectance as much as 100 percent for a given wavelength. Optical thickness produces little change in reflectance after a depth of 2.5 (Leaf area index of 4.0) is reached, and reflectance generally increases
Calvo, F; Falvo, Cyril; Parneix, Pascal
2013-01-21
An explicit polarizable potential for the naphthalene-argon complex has been derived assuming only atomic contributions, aiming at large scale simulations of naphthalene under argon environment. The potential was parametrized from dedicated quantum chemical calculations at the CCSD(T) level, and satisfactorily reproduces available structural and energetic properties. Combining this potential with a tight-binding model for naphthalene, collisional energy transfer is studied by means of dedicated molecular dynamics simulations, nuclear quantum effects being accounted for in the path-integral framework. Except at low target temperature, nuclear quantum effects do not alter the average energies transferred by the collision or the collision duration. However, the distribution of energy transferred is much broader in the quantum case due to the significant zero-point energy and the higher density of states. Using an ab initio potential for the Ar-Ar interaction, the IR absorption spectrum of naphthalene solvated by argon clusters or an entire Ar matrix is computed via classical and centroid molecular dynamics. The classical spectra exhibit variations with growing argon environment that are absent from quantum spectra. This is interpreted by the greater fluxional character experienced by the argon atoms due to vibrational delocalization.
Lai, Yinzhi; Cheng, Ke; Kisaalita, William
2012-01-01
It has been demonstrated that neuronal cells cultured on traditional flat surfaces may exhibit exaggerated voltage gated calcium channel (VGCC) functionality. To gain a better understanding of this phenomenon, primary neuronal cells harvested from mice superior cervical ganglion (SCG) were cultured on two dimensional (2D) flat surfaces and in three dimensional (3D) synthetic poly-L-lactic acid (PLLA) and polystyrene (PS) polymer scaffolds. These 2D- and 3D-cultured cells were compared to cells in freshly dissected SCG tissues, with respect to intracellular calcium increase in response to high K(+) depolarization. The calcium increases were identical for 3D-cultured and freshly dissected, but significantly higher for 2D-cultured cells. This finding established the physiological relevance of 3D-cultured cells. To shed light on the mechanism behind the exaggerated 2D-cultured cells' functionality, transcriptase expression and related membrane protein distributions (caveolin-1) were obtained. Our results support the view that exaggerated VGCC functionality from 2D cultured SCG cells is possibly due to differences in membrane architecture, characterized by uniquely organized caveolar lipid rafts. The practical implication of use of 3D-cultured cells in preclinical drug discovery studies is that such platforms would be more effective in eliminating false positive hits and as such improve the overall yield from screening campaigns.
Large oncosomes mediate intercellular transfer of functional microRNA.
Morello, Matteo; Minciacchi, Valentina R; de Candia, Paola; Yang, Julie; Posadas, Edwin; Kim, Hyung; Griffiths, Duncan; Bhowmick, Neil; Chung, Leland W K; Gandellini, Paolo; Freeman, Michael R; Demichelis, Francesca; Di Vizio, Dolores
2013-11-15
Prostate cancer cells release atypically large extracellular vesicles (EVs), termed large oncosomes, which may play a role in the tumor microenvironment by transporting bioactive molecules across tissue spaces and through the blood stream. In this study, we applied a novel method for selective isolation of large oncosomes applicable to human platelet-poor plasma, where the presence of caveolin-1-positive large oncosomes identified patients with metastatic disease. This procedure was also used to validate results of a miRNA array performed on heterogeneous populations of EVs isolated from tumorigenic RWPE-2 prostate cells and from isogenic non-tumorigenic RWPE-1 cells. The results showed that distinct classes of miRNAs are expressed at higher levels in EVs derived from the tumorigenic cells in comparison to their non-tumorigenic counterpart. Large oncosomes enhanced migration of cancer-associated fibroblasts (CAFs), an effect that was increased by miR-1227, a miRNA abundant in large oncosomes produced by RWPE-2 cells. Our findings suggest that large oncosomes in the circulation report metastatic disease in patients with prostate cancer, and that this class of EV harbors functional molecules that may play a role in conditioning the tumor microenvironment.
Optical transfer function for an f-theta lens based confocal fluorescent microarray analyzer
NASA Astrophysics Data System (ADS)
Shi, Yan; Ni, Xuxiang; Xu, Guoxiong; Li, Chen; Zhang, Xi; Lu, Zukang
2005-01-01
Optical transfer function is widely used to evaluate the imaging performance of an optical system. Combined with confocal scanning technology, f-theta lens can increase the reading speed for microarrays greatly in guarantee of sufficient resolution and fluorescence collection efficiency, compared with micro-array analyzers that adopting mechanical scanning. In this paper, the characteristics of a confocal scanning f-theta objective lens, which was used in micro-array analyzing instrument, were analyzed by means of optical transfer function. In the whole system, laser passed through the f-theta lens, and arrived at the microarray slide where fluorophores were excited. Fluorescence emitting from the micro-array slide was collected by the same f-theta lens, and was captured by a detector. As a laser illumination system, the objective lens had a smaller stop aperture. As a fluorescence collection system, it had a bigger stop aperture. In conclusion, optical transfer function for the whole system, from source to detector, is the combination of that of the laser illumination, a coherent system, and that of the fluorescence collection system, an incoherent system. Uniformity of laser illumination at the micro-array slide was analyzed using optical transfer function during the course of scanning. The influence of aberrations on optical transfer function is given. The simulating results for above characteristics are also presented.
NASA Astrophysics Data System (ADS)
Frutos, Luis Manuel; Castaño, Obis
2005-09-01
The new algorithm presented here allows, for the first time, the determination of the optimal geometrical distortions that an acceptor molecule in the triplet-triplet energy-transfer process undergoes, as well as the dependence of the activation energy of the process on the triplet energy difference of donor and acceptor molecules. This algorithm makes use of the complete potential-energy surfaces (singlet and triplet states), and contrasts with the first-order approximation already published [L. M. Frutos, O. Castaño, J. L. Andrés, M. Merchán, and A. U. Acuña, J. Chem. Phys. 120, 1208 (2004)] in which an expansion of the potential-energy surfaces was used. This algorithm is gradient based and finds the best trajectory for the acceptor molecule, starting from S0 ground-state equilibrium geometry, to achieve the maximum variation of the singlet-triplet energy gap with the minimum energy of activation on S0. Therefore, the algorithm allows the determination of a "reaction path" for the triplet-triplet energy-transfer processes. Also, the algorithm could also serve eventually to find minimum-energy crossing (singlet-triplet) points on the potential-energy surface, which can play an important role in the intersystem crossing process for the acceptor molecules to recover their initial capacity as acceptors. Also addressed is the misleading use of minimum-energy paths in T1 to describe the energy-transfer process by comparing these results with those obtained using the new algorithm. The implementation of the algorithm is illustrated with different potential-energy surface models and it is discussed in the frame of nonvertical behavior.
NASA Astrophysics Data System (ADS)
Li, Yuan; Wang, Mingjun; Wang, Huilin; Tan, Hao; Zhang, Ziding; Webb, Geoffrey I.; Song, Jiangning
2014-07-01
Lysine acetylation is a reversible post-translational modification, playing an important role in cytokine signaling, transcriptional regulation, and apoptosis. To fully understand acetylation mechanisms, identification of substrates and specific acetylation sites is crucial. Experimental identification is often time-consuming and expensive. Alternative bioinformatics methods are cost-effective and can be used in a high-throughput manner to generate relatively precise predictions. Here we develop a method termed as SSPKA for species-specific lysine acetylation prediction, using random forest classifiers that combine sequence-derived and functional features with two-step feature selection. Feature importance analysis indicates functional features, applied for lysine acetylation site prediction for the first time, significantly improve the predictive performance. We apply the SSPKA model to screen the entire human proteome and identify many high-confidence putative substrates that are not previously identified. The results along with the implemented Java tool, serve as useful resources to elucidate the mechanism of lysine acetylation and facilitate hypothesis-driven experimental design and validation.
On-orbit Modulation Transfer Function (MTF) Measurements for IKONOS and QuickBird
NASA Technical Reports Server (NTRS)
Helde, Dennis; Choi, Jason; Anderson, Cody
2007-01-01
Point Spread Function is a method of evaluation the spatial resolution of an imaging system. It is also a measure of the spread of a single point of light. Modulation Transfer Function (MTF) is a measure of the spatial frequency response. It is often calculated from th point spread function (PSF). System response at the Nyquist frequency (or 0.5 cycle/pixel) is often used as a figure of merit
Densification of functional plasma polymers by momentum transfer during film growth
Hegemann, Dirk; Koerner, Enrico; Blanchard, Noemi; Drabik, Martin; Guimond, Sebastien
2012-11-19
Functional plasma polymers were deposited from pure ethylene discharges and with the addition of carbon dioxide or ammonia. The incorporation of oxygen and nitrogen-containing functional groups depends on the fragmentation in the gas phase as well as on the densification during film growth. While a minimum energy per deposited carbon atom is required for cross-linking, the densification and accompanying reduction of functional group incorporation was found to scale linearly with momentum transfer through ion bombardment during film growth.
On the pole of non-square transfer function matrix Moore-Penrose pseudo-inverses
NASA Astrophysics Data System (ADS)
Zhang, Wei; Ou, Linlin; He, Xing; Zhang, Weidong
2015-10-01
An essential step in many controller design approaches is computing the inverse of the plant. For a square plant, its inverse is stable if the plant is minimum phase (MP). Nevertheless, this conclusion does not hold for a non-square plant. In this paper, the pole feature of the Moore-Penrose pseudo-inverse of a non-square transfer function matrix is analysed. Instead of complicated advanced mathematical tools, only basic results of polynomial theory and the Binet-Cauchy theorem are used in the analysing procedure. The condition for testing the stability of the Moore-Penrose pseudo-inverse of an MP non-square transfer function matrix is given. This condition implies that the Moore-Penrose pseudo-inverse of a non-square transfer function matrix cannot be directly used as the optimal controller. Numerical examples are provided to illustrate the correctness of the condition.
NASA Astrophysics Data System (ADS)
Stark, Martin; Guckenberger, Reinhard; Stemmer, Andreas; Stark, Robert W.
2005-12-01
Dynamic atomic force microscopy (AFM) offers many opportunities for the characterization and manipulation of matter on the nanometer scale with a high temporal resolution. The analysis of time-dependent forces is basic for a deeper understanding of phenomena such as friction, plastic deformation, and surface wetting. However, the dynamic characteristics of the force sensor used for such investigations are determined by various factors such as material and geometry of the cantilever, detection alignment, and the transfer characteristics of the detector. Thus, for a quantitative investigation of surface properties by dynamic AFM an appropriate system identification procedure is required, characterizing the force sensor beyond the usual parameters spring constant, quality factor, and detection sensitivity. Measurement of the transfer function provides such a characterization that fully accounts for the dynamic properties of the force sensor. Here, we demonstrate the estimation of the transfer function in a bandwidth of 1MHz from experimental data. To this end, we analyze the signal of the vibrations induced by snap-to-contact and snap-off-contact events. For the free cantilever, we determine both a parameter-free estimate [empirical transfer function estimate (ETFE)] and a parametric estimate of the transfer function. For the surface-coupled cantilever the ETFE is obtained. These identification procedures provide an intrinsic calibration as they dispense largely with a priori knowledge about the force sensor.
Effects of select and reject control on equivalence class formation and transfer of function.
Perez, William F; Tomanari, Gerson Y; Vaidya, Manish
2015-09-01
The present study used a single-subject design to evaluate the effects of select or reject control on equivalence class formation and transfer of function. Adults were exposed to a matching-to-sample task with observing requirements (MTS-OR) in order to bias the establishment of sample/S+ (select) or sample/S- (reject) relations. In Experiment 1, four sets of baseline conditional relations were taught-two under reject control (A1B2C1, A2B1C2) and two under select control (D1E1F1, D2E2F2). Participants were tested for transitivity, symmetry, equivalence and reflexivity. They also learned a simple discrimination involving one of the stimuli from the equivalence classes and were tested for the transfer of the discriminative function. In general, participants performed with high accuracy on all equivalence-related probes as well as the transfer of function probes under select control. Under reject control, participants had high scores only on the symmetry test; transfer of function was attributed to stimuli programmed as S-. In Experiment 2, the equivalence class under reject control was expanded to four members (A1B2C1D2; A2B1C2D1). Participants had high scores only on symmetry and on transitivity and equivalence tests involving two nodes. Transfer of function was extended to the programmed S- added to each class. Results from both experiments suggest that select and reject controls might differently affect the formation of equivalence classes and the transfer of stimulus functions. PMID:26332076
Effects of select and reject control on equivalence class formation and transfer of function.
Perez, William F; Tomanari, Gerson Y; Vaidya, Manish
2015-09-01
The present study used a single-subject design to evaluate the effects of select or reject control on equivalence class formation and transfer of function. Adults were exposed to a matching-to-sample task with observing requirements (MTS-OR) in order to bias the establishment of sample/S+ (select) or sample/S- (reject) relations. In Experiment 1, four sets of baseline conditional relations were taught-two under reject control (A1B2C1, A2B1C2) and two under select control (D1E1F1, D2E2F2). Participants were tested for transitivity, symmetry, equivalence and reflexivity. They also learned a simple discrimination involving one of the stimuli from the equivalence classes and were tested for the transfer of the discriminative function. In general, participants performed with high accuracy on all equivalence-related probes as well as the transfer of function probes under select control. Under reject control, participants had high scores only on the symmetry test; transfer of function was attributed to stimuli programmed as S-. In Experiment 2, the equivalence class under reject control was expanded to four members (A1B2C1D2; A2B1C2D1). Participants had high scores only on symmetry and on transitivity and equivalence tests involving two nodes. Transfer of function was extended to the programmed S- added to each class. Results from both experiments suggest that select and reject controls might differently affect the formation of equivalence classes and the transfer of stimulus functions.
NASA Astrophysics Data System (ADS)
Liu, Jie; Herbert, John M.
2015-07-01
A novel formulation of time-dependent density functional theory (TDDFT) is derived, based on non-orthogonal, absolutely-localized molecular orbitals (ALMOs). We call this approach TDDFT(MI), in reference to ALMO-based methods for describing molecular interactions (MI) that have been developed for ground-state applications. TDDFT(MI) is intended for efficient excited-state calculations in systems composed of multiple, weakly interacting chromophores. The efficiency is based upon (1) a local excitation approximation; (2) monomer-based, singly-excited basis states; (3) an efficient localization procedure; and (4) a one-step Davidson method to solve the TDDFT(MI) working equation. We apply this methodology to study molecular dimers, water clusters, solvated chromophores, and aggregates of naphthalene diimide that form the building blocks of self-assembling organic nanotubes. Absolute errors of 0.1-0.3 eV with respect to supersystem methods are achievable for these systems, especially for cases involving an excited chromophore that is weakly coupled to several explicit solvent molecules. Excited-state calculations in an aggregate of nine naphthalene diimide monomers are ˜40 times faster than traditional TDDFT calculations.
Liu, Siyu; Zhao, Ning; Cheng, Zhen; Liu, Hongguang
2015-04-21
Amino-functionalized fluorescent carbon dots have been prepared by hydrothermal treatment of glucosamine with excess pyrophosphate. The produced carbon dots showed stabilized green emission fluorescence at various excitation wavelengths and pH environments. Herein, we demonstrate the surface energy transfer between the amino-functionalized carbon dots and negatively charged hyaluronate stabilized gold nanoparticles. Hyaluronidase can degrade hyaluronate and break down the hyaluronate stabilized gold nanoparticles to inhibit the surface energy transfer. The developed fluorescent carbon dot/gold nanoparticle system can be utilized as a biosensor for sensitive and selective detection of hyaluronidase by two modes which include fluorescence measurements and colorimetric analysis.
An accurate cluster selection function for the J-PAS narrow-band wide-field survey
NASA Astrophysics Data System (ADS)
Ascaso, B.; Benítez, N.; Dupke, R.; Cypriano, E.; Lima-Neto, G.; López-Sanjuan, C.; Varela, J.; Alcaniz, J. S.; Broadhurst, T.; Cenarro, A. J.; Devi, N. Chandrachani; Díaz-García, L. A.; Fernandes, C. A. C.; Hernández-Monteagudo, C.; Mei, S.; Mendes de Oliveira, C.; Molino, A.; Oteo, I.; Schoenell, W.; Sodré, L.; Viironen, K.; Marín-Franch, A.
2016-03-01
The impending Javalambre Physics of the accelerating Universe Astrophysical Survey (J-PAS) will be the first wide-field survey of ≳ 8500 deg2 to reach the `stage IV' category. Because of the redshift resolution afforded by 54 narrow-band filters, J-PAS is particularly suitable for cluster detection in the range z<1. The photometric redshift dispersion is estimated to be only ˜0.003 with few outliers ≲4 per cent for galaxies brighter than i ˜ 23 AB, because of the sensitivity of narrow band imaging to absorption and emission lines. Here, we evaluate the cluster selection function for J-PAS using N-body+semi-analytical realistic mock catalogues. We optimally detect clusters from this simulation with the Bayesian Cluster Finder, and we assess the completeness and purity of cluster detection against the mock data. The minimum halo mass threshold we find for detections of galaxy clusters and groups with both >80 per cent completeness and purity is Mh ˜ 5 × 1013 M⊙ up to z ˜ 0.7. We also model the optical observable, M^{*}_CL-halo mass relation, finding a non-evolution with redshift and main scatter of σ _{M^{*}_CL | M_h}˜ 0.14 dex down to a factor 2 lower in mass than other planned broad-band stage IV surveys, at least. For the Mh ˜ 1 × 1014 M⊙ Planck mass limit, J-PAS will arrive up to z ˜ 0.85 with a σ _{M^{*}_CL | M_h}˜ 0.12 dex. Therefore, J-PAS will provide the largest sample of clusters and groups up to z ˜ 0.8 with a mass calibration accuracy comparable to X-ray data.
The route to MBxNyCz molecular wheels: II. Results using accurate functionals and basis sets
NASA Astrophysics Data System (ADS)
Güthler, A.; Mukhopadhyay, S.; Pandey, R.; Boustani, I.
2014-04-01
Applying ab initio quantum chemical methods, molecular wheels composed of metal and light atoms were investigated. High quality basis sets 6-31G*, TZPV, and cc-pVTZ as well as exchange and non-local correlation functionals B3LYP, BP86 and B3P86 were used. The ground-state energy and structures of cyclic planar and pyramidal clusters TiBn (for n = 3-10) were computed. In addition, the relative stability and electronic structures of molecular wheels TiBxNyCz (for x, y, z = 0-10) and MBnC10-n (for n = 2 to 5 and M = Sc to Zn) were determined. This paper sustains a follow-up study to the previous one of Boustani and Pandey [Solid State Sci. 14 (2012) 1591], in which the calculations were carried out at the HF-SCF/STO3G/6-31G level of theory to determine the initial stability and properties. The results show that there is a competition between the 2D planar and the 3D pyramidal TiBn clusters (for n = 3-8). Different isomers of TiB10 clusters were also studied and a structural transition of 3D-isomer into 2D-wheel is presented. Substitution boron in TiB10 by carbon or/and nitrogen atoms enhances the stability and leads toward the most stable wheel TiB3C7. Furthermore, the computations show that Sc, Ti and V at the center of the molecular wheels are energetically favored over other transition metal atoms of the first row.
Accurate Analytic Potential Functions for the a ^3Π_1 and X ^1Σ^+ States of {IBr}
NASA Astrophysics Data System (ADS)
Yukiya, Tokio; Nishimiya, Nobuo; Suzuki, Masao; Le Roy, Robert
2014-06-01
Spectra of IBr in various wavelength regions have been measured by a number of researchers using traditional diffraction grating and microwave methods, as well as using high-resolution laser techniques combined with a Fourier transform spectrometer. In a previous paper at this meeting, we reported a preliminary determination of analytic potential energy functions for the A ^3Π_1 and X ^1Σ^+ states of IBr from a direct-potential-fit (DPF) analysis of all of the data available at that time. That study also confirmed the presence of anomalous fluctuations in the v--dependence of the first differences of the inertial rotational constant, Δ Bv=Bv+1-Bv in the A ^3Π_1 state for vibrational levels with v'(A) in the mid 20's. However, our previous experience in a recent study of the analogous A ^3Π_1-X ^1Σ_g^+ system of Br_2 suggested that the effect of such fluctuations may be overcome if sufficient data are available. The present work therefore reports new measurements of transitions to levels in the v'(A)=23-26 region, together with a new global DPF analysis that uses ``robust" least-squares fits to average properly over the effect of such fluctuations in order to provide an optimum delineation of the underlying potential energy curve(s). L.E.Selin,Ark. Fys. 21,479(1962) E. Tiemann and Th. Moeller, Z. Naturforsch. A 30,986 (1975) E.M. Weinstock and A. Preston, J. Mol. Spectrosc. 70, 188 (1978) D.R.T. Appadoo, P.F. Bernath, and R.J. Le Roy, Can. J. Phys. 72, 1265 (1994) N. Nishimiya, T. Yukiya and M. Suzuki, J. Mol. Spectrosc. 173, 8 (1995). T. Yukiya, N. Nishimiya, and R.J. Le Roy, Paper MF12 at the 65th Ohio State University International Symposium on Molecular Spectroscopy, Columbus, Ohio, June 20-24, 2011. T. Yukiya, N. Nishimiya, Y. Samajima, K. Yamaguchi, M. Suzuki, C.D. Boone, I. Ozier and R.J. Le Roy, J. Mol. Spectrosc. 283, 32 (2013) J.K.G. Watson, J. Mol. Spectrosc. 219, 326 (2003).
Dynamics of charge transfer: Rate processes formulated with nonequilibrium Green's functions
Yeganeh, Sina; Ratner, Mark A.; Mujica, Vladimiro
2007-04-28
The authors examine the connection between electron transport under bias in a junction and nonadiabatic intramolecular electron transfer (ET). It is shown that under certain assumptions it is possible to define a stationary current that allows the computation of the intramolecular transfer rate using the same formalism that is employed in the description of transport. They show that the nonequilibrium Green's function formalism of quantum transport can be used to calculate the ET rate. The formal connection between electron transport and electron transfer is made, and they work out the simple case of an electronic level coupled to a vibrational mode representing a thermal bath and show that the result is the same as expected from a Fermi golden rule treatment, and in the high-temperature limit yields the Marcus electron transfer theory. The usefulness of this alternative formulation of rates is discussed.
Direct metal transfer printing on flexible substrate for fabricating optics functional devices
NASA Astrophysics Data System (ADS)
Jiang, Yingjie; Zhou, Xiaohong; Zhang, Feng; Shi, Zhenwu; Chen, Linsen; Peng, Changsi
2015-11-01
New functional materials and devices based on metal patterns can be widely used in many new and expanding industries,such as flat panel displays, alternative energy,sensors and so on. In this paper, we introduce a new transfer printing method for fabricating metal optics functional devices. This method can directly transfer a metal pattern from a polyethylene terephthalate (PET)supported UV or polydimethylsiloxane (PDMS) pattern to another PET substrate. Purely taking advantage of the anaerobic UV curing adhesive (a-UV) on PET substrate, metal film can be easily peeled off from micro/nano-structured surface. As a result, metal film on the protrusion can be selectively transferred onto the target substrate, to make it the metal functional surface. But which on the bottom can not be transferred. This method provides low cost fabrication of metal thin film devices by avoiding high cost lithography process. Compared with conventional approach, this method can get more smooth rough edges and has wider tolerance range for the original master mold. Future developments and potential applications of this metal transfer method will be addressed.
Transfer function approach for artificial tracer test interpretation in karstic systems
NASA Astrophysics Data System (ADS)
Labat, D.; Mangin, A.
2015-10-01
A karstic formation consists in a three-dimensional hydrological system which involves horizontal and vertical, diphasic or saturated water transfers characterised by a large range of velocity. These subsurface flow processes correspond to various water pathways through fractured, fissured, and underground streams or conduits leading to a nonlinear global behaviour of the system. An efficient way of investigating of a karstic system behaviour consists in the injection of artificial tracer tests at loss points and in careful analysis of the recovery tracer fluxes at one or several outlets of the systems. These injections are also an efficient way of providing hypotheses on characteristic time of contaminant transfer in these type of aquifers. Here, we propose a Laplace-transform transfer function of the Residence Time Distribution function that allows to discriminate between a quick-flow advection-dominated component and a slow-flow advection-dispersion/dominated component in the artificial tracer transfer in the system. We apply this transfer function on five high resolution sampling rate artificial tracer tests operated on the Baget system in the Pyrenees (France) in order to illustrate the advantages and limitations of this approach. We provide then an interpretation of the relationship between tracer test recovery shape and karstic system organisation between inlet and outlet site.
NASA Astrophysics Data System (ADS)
Bozkaya, Uǧur; Sherrill, C. David
2013-08-01
Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal
Bozkaya, Uğur; Sherrill, C David
2013-08-01
Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N(6)) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm(-1)) is fortuitously even better than that of CCSD(T) (50 cm(-1)), while the MAEs of CEPA(0) (184 cm(-1)) and CCSD (84 cm(-1)) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol(-1), which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol(-1)), and comparing to MP2 (7.7 kcal mol(-1)) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is
Reboul, Marie-Pierre; Higueret, Laurent; Biteau, Nicolas; Iron, Albert
2005-10-01
The CFTR gene mutation 1811+1.6 kbA>G has been reported as associated with a severe phenotype of cystic fibrosis with pancreatic insufficiency. This mutation has been identified as a rather common one in the South West of France and in the Iberian Peninsula. Because of the precise geographical origin of the subjects and its frequency, the mutation has to be investigated with accuracy. We have developed an original real-time Fluorescence Resonance Energy Transfer (FRET) PCR assay for genotyping the mutation 1811+1.6 kbA>G. It is based on the amplification of a region spanning the mutation with simultaneous detection of the amplicon by hybridization with a bi-probe followed by a melting curve analysis. The results obtained are identical with those resulting from either restriction fragment length polymorphism analysis or sequencing. The distinction between the wild type and the mutation 1811+1.6 kbA>G is easy because the corresponding melting points shows a difference of 6 or 9.5 degrees C depending on the associated SNP A/T located 16 bp downstream. We demonstrated that a FRET assay showed enough sensitivity to discriminate between two nucleotide polymorphisms (SNPs) in the sequence of the sensor. In conclusion, this method is specific, fast, easy to perform, reproducible, inexpensive as it uses only one bi-probe and well adapted to daily practice.
Lopato, Sergiy; Borisjuk, Nikolai; Langridge, Peter; Hrmova, Maria
2014-01-01
Endosperm transfer cells (ETC) are one of four main types of cells in endosperm. A characteristic feature of ETC is the presence of cell wall in-growths that create an enlarged plasma membrane surface area. This specialized cell structure is important for the specific function of ETC, which is to transfer nutrients from maternal vascular tissue to endosperm. ETC-specific genes are of particular interest to plant biotechnologists, who use genetic engineering to improve grain quality and yield characteristics of important field crops. The success of molecular biology-based approaches to manipulating ETC function is dependent on a thorough understanding of the functions of ETC-specific genes and ETC-specific promoters. The aim of this review is to summarize the existing data on structure and function of ETC-specific genes and their products. Potential applications of ETC-specific genes, and in particular their promoters for biotechnology will be discussed. PMID:24578704
NASA Astrophysics Data System (ADS)
Diallo, S. O.; Lin, J. Y. Y.; Abernathy, D. L.; Azuah, R. T.
2016-11-01
Inelastic neutron scattering at high momentum transfers (i.e. Q ≥ 20 A ˚), commonly known as deep inelastic neutron scattering (DINS), provides direct observation of the momentum distribution of light atoms, making it a powerful probe for studying single-particle motions in liquids and solids. The quantitative analysis of DINS data requires an accurate knowledge of the instrument resolution function Ri(Q , E) at each momentum Q and energy transfer E, where the label i indicates whether the resolution was experimentally observed i = obs or simulated i=sim. Here, we describe two independent methods for determining the total resolution function Ri(Q , E) of the ARCS neutron instrument at the Spallation Neutron Source, Oak Ridge National Laboratory. The first method uses experimental data from an archetypical system (liquid 4He) studied with DINS, which are then numerically deconvoluted using its previously determined intrinsic scattering function to yield Robs(Q , E). The second approach uses accurate Monte Carlo simulations of the ARCS spectrometer, which account for all instrument contributions, coupled to a representative scattering kernel to reproduce the experimentally observed response S(Q , E). Using a delta function as scattering kernel, the simulation yields a resolution function Rsim(Q , E) with comparable lineshape and features as Robs(Q , E), but somewhat narrower due to the ideal nature of the model. Using each of these two Ri(Q , E) separately, we extract characteristic parameters of liquid 4He such as the intrinsic linewidth α2 (which sets the atomic kinetic energy < K > ∼α2) in the normal liquid and the Bose-Einstein condensate parameter n0 in the superfluid phase. The extracted α2 values agree well with previous measurements at saturated vapor pressure (SVP) as well as at elevated pressure (24 bars) within experimental precision, independent of which Ri(Q , y) is used to analyze the data. The actual observed n0 values at each Q vary little
Moire modulation transfer function of alexandrite rods and their thresholds as lasers
Kafri, O.; Samelson, H.; Chin, T.; Heller, D.F.
1986-04-01
We show that there is a simple correlation between the modulation transfer function (MTF) of alexandrite laser rods and the thresholds of these rods as cw lasers. Thus the MTF provides a novel and important way to evaluate material (before or after fabrication) for use in solid-state lasers. This approach should be generally applicable to all solid-state laser materials.
Validity of transfer-function representation of input-output relation in allosteric models.
Sakamoto, N; Naka, T
1986-01-01
A transfer-function representation of reaction velocity is devised to describe analytically and approximately an input-output response of allosteric enzyme around a steady state. The transfer function is derived on assuming an exponential change in reaction velocity for the indicial response to substrate influx rate. The validity of the representation with variation in the kinetic parameters and flow rates is examined for the response of Koshland-Nemethy-Filmer (KNF) and Monod-Wyman-Changeux (MWC) dimeric models by comparing with the exact response obtained from the computer simulation, that is, by numerical integration of the rate equation. The representation has a wider valid region with a decrease in influx rate than with an increase. For the KNF model the representation is valid for negative cooperativity, but invalid for positive cooperativity. For the MWC model the validity decreases with stronger cooperativity. With the transfer functions valid for the Michaelis-Menten and allosteric reactions, we may derive the transfer-function representation for many metabolic pathways.
Measurement of MODIS optics effective focal length, distortion, and modulation transfer function
NASA Astrophysics Data System (ADS)
Thurlow, Paul E.; Cline, Richard W.
1993-08-01
A combination MODIS optics characteristics, short back focal length, and relatively distorting optics, has required major revisions in techniques used earlier to characterize effective focal length (EFL) and modulation transfer function (MTF) in the thematic mapper (TM) project. This paper compares measurement approaches used to characterize TM optics and revised methodology intended to characterize MODIS optics at an integration and assembly level.
5 CFR 351.303 - Identification of positions with a transferring function.
Code of Federal Regulations, 2011 CFR
2011-01-01
... SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with a... agency may supplement the employee's official position description by the use of appropriate records (e.g... separation or demotion by reduction in force at the losing competitive area of any employee with...
5 CFR 351.303 - Identification of positions with a transferring function.
Code of Federal Regulations, 2013 CFR
2013-01-01
... SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with a... agency may supplement the employee's official position description by the use of appropriate records (e.g... separation or demotion by reduction in force at the losing competitive area of any employee with...
Gallagher, David; Adji, Audrey; O'Rourke, Michael F
2004-11-01
Central aortic pressure waveforms can be calculated from the radial artery pressure waveform using a generalized transfer function to correct for pressure wave distortion in the upper limb. Although validated to standards conventionally applied, reservations are still expressed on use of this process, because of the relatively small number of patients from whom appropriate invasive data were obtained. The study described here supplemented such data with noninvasive data obtained from carotid and radial artery tonometry in 439 patients and normal subjects. The carotid-radial artery transfer function was similar to the aortic-radial when allowance was made for wave travel from aorta to carotid artery. The carotid-radial transfer function was identical in male and female individuals, was similar at different arterial pressures and in mature adults. Differences are relatively small, are seen at frequencies where central pressure wave components are small and are similar to those seen with vasodilator agents in invasive studies. Findings provide further support for use of a generalized transfer function to calculate aortic from upper limb pressure and conform with previously established views on vascular impedance. PMID:15533735
ERIC Educational Resources Information Center
Fisher, Wayne W.; Greer, Brian D.; Fuhrman, Ashley M.; Querim, Angie C.
2015-01-01
Multiple schedules with signaled periods of reinforcement and extinction have been used to thin reinforcement schedules during functional communication training (FCT) to make the intervention more practical for parents and teachers. We evaluated whether these signals would also facilitate rapid transfer of treatment effects across settings and…
ERIC Educational Resources Information Center
Pauen, Sabina; Bechtel-Kuehne, Sabrina
2016-01-01
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…
Modulation Transfer Function (MTF) measurement techniques for lenses and linear detector arrays
NASA Technical Reports Server (NTRS)
Schnabel, J. J., Jr.; Kaishoven, J. E., Jr.; Tom, D.
1984-01-01
Application is the determination of the Modulation Transfer Function (MTF) for linear detector arrays. A system set up requires knowledge of the MTF of the imaging lens. Procedure for this measurement is described for standard optical lab equipment. Given this information, various possible approaches to MTF measurement for linear arrays is described. The knife edge method is then described in detail.
A parametric transfer function methodology for analyzing reactive transport in nonuniform flow.
Luo, Jian; Cirpka, Olaf A; Fienen, Michael N; Wu, Wei-min; Mehlhorn, Tonia L; Carley, Jack; Jardine, Philip M; Criddle, Craig S; Kitanidis, Peter K
2006-02-01
We analyze reactive transport during in-situ bioremediation in a nonuniform flow field, involving multiple extraction and injection wells, by the method of transfer functions. Gamma distributions are used as parametric models of the transfer functions. Apparent parameters of classical transport models may be estimated from those of the gamma distributions by matching temporal moments. We demonstrate the method by application to measured data taken at a field experiment on bioremediation conducted in a multiple-well system in Oak Ridge, TN. Breakthrough curves (BTCs) of a conservative tracer (bromide) and a reactive compound (ethanol) are measured at multi-level sampling (MLS) wells and in extraction wells. The BTCs of both compounds are jointly analyzed to estimate the first-order degradation rate of ethanol. To quantify the tracer loss, we compare the approaches of using a scaling factor and a first-order decay term. Results show that by including a scaling factor both gamma distributions and inverse-Gaussian distributions (transfer functions according to the advection-dispersion equation) are suitable to approximate the transfer functions and estimate the reactive rate coefficients for both MLS and extraction wells. However, using a first-order decay term for tracer loss fails to describe the BTCs at the extraction well, which is affected by the nonuniform distribution of travel paths.
The Derived Transfer and Reversal of Mood Functions through Equivalence Relations: II
ERIC Educational Resources Information Center
Cahill, Jane; Barnes-Holmes, Yvonne; Barnes-Holmes, Dermot; Rodriguez-Valverde, Miguel; Luciano, Carmen; Smeets, Paul M.
2007-01-01
Recent research has demonstrated the transfer of induced mood functions through equivalence relations by means of a musical mood-induction procedure. The research described in this article replicated and extended such work, primarily with the inclusion of a baseline and two types of reversal procedures. First, 16 adult participants were trained…
Transfer functions of double- and multiple-cavity Fabry Perot filters driven by Lorentzian sources
NASA Astrophysics Data System (ADS)
Marti, Javier; Capmany, Jose
1996-12-01
We derive expressions for the transfer functions of double- and multiple-cavity Fabry Perot filters driven by laser sources with Lorentzian spectrum. These are of interest because of their applications in sensing and channel filtering in optical frequency-division multiplexing networks.
Fischer-Kern, Melitta; Doering, Stephan; Taubner, Svenja; Hörz, Susanne; Zimmermann, Johannes; Rentrop, Michael; Schuster, Peter; Buchheim, Peter; Buchheim, Anna
2015-08-01
Borderline personality disorder is associated with deficits in personality functioning and mentalisation. In a randomised controlled trial 104 people with borderline personality disorder received either transference-focused psychotherapy (TFP) or treatment by experienced community therapists. Among other outcome variables, mentalisation was assessed by means of the Reflective Functioning Scale (RF Scale). Findings revealed only significant improvements in reflective function in the TFP group within 1 year of treatment. The between-group effect was of medium size (d = 0.45). Improvements in reflective function were significantly correlated with improvements in personality organisation. PMID:25999334
Fischer-Kern, Melitta; Doering, Stephan; Taubner, Svenja; Hörz, Susanne; Zimmermann, Johannes; Rentrop, Michael; Schuster, Peter; Buchheim, Peter; Buchheim, Anna
2015-08-01
Borderline personality disorder is associated with deficits in personality functioning and mentalisation. In a randomised controlled trial 104 people with borderline personality disorder received either transference-focused psychotherapy (TFP) or treatment by experienced community therapists. Among other outcome variables, mentalisation was assessed by means of the Reflective Functioning Scale (RF Scale). Findings revealed only significant improvements in reflective function in the TFP group within 1 year of treatment. The between-group effect was of medium size (d = 0.45). Improvements in reflective function were significantly correlated with improvements in personality organisation.
Fang, Changming; Li, Wun-Fan; Koster, Rik S; Klimeš, Jiří; van Blaaderen, Alfons; van Huis, Marijn A
2015-01-01
Knowledge about the intrinsic electronic properties of water is imperative for understanding the behaviour of aqueous solutions that are used throughout biology, chemistry, physics, and industry. The calculation of the electronic band gap of liquids is challenging, because the most accurate ab initio approaches can be applied only to small numbers of atoms, while large numbers of atoms are required for having configurations that are representative of a liquid. Here we show that a high-accuracy value for the electronic band gap of water can be obtained by combining beyond-DFT methods and statistical time-averaging. Liquid water is simulated at 300 K using a plane-wave density functional theory molecular dynamics (PW-DFT-MD) simulation and a van der Waals density functional (optB88-vdW). After applying a self-consistent GW correction the band gap of liquid water at 300 K is calculated as 7.3 eV, in good agreement with recent experimental observations in the literature (6.9 eV). For simulations of phase transformations and chemical reactions in water or aqueous solutions whereby an accurate description of the electronic structure is required, we suggest to use these advanced GW corrections in combination with the statistical analysis of quantum mechanical MD simulations.
Surface-to-food pesticide transfer as a function of moisture and fat content.
Vonderheide, Anne P; Bernard, Craig E; Hieber, Thomas E; Kauffman, Peter E; Morgan, Jeffrey N; Melnyk, Lisa Jo
2009-01-01
Transfer of pesticides from household surfaces to foods may result in excess dietary exposure in children (i.e., beyond that inherent in foods due to agricultural application). In this study, transfer was evaluated as a function of the moisture and fat content of various foods. Surfaces chosen for investigation were those commonly found in homes and included Formica, ceramic tile, plastic, carpet, and upholstery fabric. Each surface type was sprayed with an aqueous emulsion of organophosphates, fipronil, and synthetic pyrethroids. In the first phase of the study, multiple foods (apples, watermelon, wheat crackers, graham crackers, white bread, flour tortillas, bologna, fat-free bologna, sugar cookies, ham, Fruit Roll-ups, pancakes, and processed American cheese) were categorized with respect to moisture and fat content. All were evaluated for potential removal of applied pesticides from a Formica surface. In the second phase of the study, representative foods from each classification were investigated for their potential for pesticide transfer with an additional four surfaces: ceramic tile, plastic, upholstery, and carpet. Moisture content, not fat, was found to be a determining factor in most transfers. For nearly all surfaces, more efficient transfer occurred with increased hardness (Formica and ceramic tile). Comparatively, the polymer composition of the plastic delivered overall lower transfer efficiencies, presumably due to an attraction between it and the organic pesticides of interest.
Scheler, Gabriele
2013-01-01
We present a novel formulation for biochemical reaction networks in the context of protein signal transduction. The model consists of input-output transfer functions, which are derived from differential equations, using stable equilibria. We select a set of "source" species, which are interpreted as input signals. Signals are transmitted to all other species in the system (the "target" species) with a specific delay and with a specific transmission strength. The delay is computed as the maximal reaction time until a stable equilibrium for the target species is reached, in the context of all other reactions in the system. The transmission strength is the concentration change of the target species. The computed input-output transfer functions can be stored in a matrix, fitted with parameters, and even recalled to build dynamical models on the basis of state changes. By separating the temporal and the magnitudinal domain we can greatly simplify the computational model, circumventing typical problems of complex dynamical systems. The transfer function transformation of biochemical reaction systems can be applied to mass-action kinetic models of signal transduction. The paper shows that this approach yields significant novel insights while remaining a fully testable and executable dynamical model for signal transduction. In particular we can deconstruct the complex system into local transfer functions between individual species. As an example, we examine modularity and signal integration using a published model of striatal neural plasticity. The modularizations that emerge correspond to a known biological distinction between calcium-dependent and cAMP-dependent pathways. Remarkably, we found that overall interconnectedness depends on the magnitude of inputs, with higher connectivity at low input concentrations and significant modularization at moderate to high input concentrations. This general result, which directly follows from the properties of individual transfer
Isegawa, Miho; Gao, Jiali; Truhlar, Donald G.
2011-01-01
Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi–Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi–Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. PMID:21895159
NASA Astrophysics Data System (ADS)
Boyd, John P.
2011-02-01
Radial basis function (RBF) interpolants have become popular in computer graphics, neural networks and for solving partial differential equations in many fields of science and engineering. In this article, we compare five different species of RBFs: Gaussians, hyperbolic secant (sech's), inverse quadratics, multiquadrics and inverse multiquadrics. We show that the corresponding cardinal functions for a uniform, unbounded grid are all approximated by the same function: C(X) ∼ (1/(ρ)) sin (πX)/sinh (πX/ρ) for some constant ρ(α) which depends on the inverse width parameter (“shape parameter”) α of the RBF and also on the RBF species. The error in this approximation is exponentially small in 1/α for sech's and inverse quadratics and exponentially small in 1/α2 for Gaussians; the error is proportional to α4 for multiquadrics and inverse multiquadrics. The error in all cases is small even for α ∼ O(1). These results generalize to higher dimensions. The Gaussian RBF cardinal functions in any number of dimensions d are, without approximation, the tensor product of one dimensional Gaussian cardinal functions: Cd(x1,x2…,xd)=∏j=1dC(xj). For other RBF species, we show that the two-dimensional cardinal functions are well approximated by the products of one-dimensional cardinal functions; again the error goes to zero as α → 0. The near-identity of the cardinal functions implies that all five species of RBF interpolants are (almost) the same, despite the great differences in the RBF ϕ's themselves.
Noureddine, Achraf; Lichon, Laure; Maynadier, Marie; Garcia, Marcel; Gary-Bobo, Magali; Zink, Jeffrey I; Cattoën, Xavier; Wong Chi Man, Michel
2015-07-14
The synthesis of mesoporous silica nanoparticles bearing organic functionalities is strained by the careful adjustment of the reaction parameters, as the incorporation of functional and/or voluminous organosilanes during the sol-gel synthesis strongly affects the final structure of the nanoparticles. In this paper we describe the design of new clickable mesoporous silica nanoparticles as spheres or rods, synthesized by the co-condensation of TEOS with two clickable organosilanes (bearing alkyne and azide groups) and readily multi-functionalizable by CuAAC click chemistry. We show that controlled loadings of clickable functions can be homogeneously distributed within the MSN, allowing us to efficiently click-graft various pairs of functionalities while preserving the texture and morphology of the particles. The homogeneous distribution of the grafted functionalities was probed by FRET experiments between two anchored fluorophores. Moreover, a communication by proton transfer between two functions was demonstrated by constructing a light-actuated nanomachine that works through a proton transfer between a photoacid generator and a pH-sensitive supramolecular nanogate. The activation of the nanomachine enabled the successful release of rhodamine B in buffered solutions and the delivery of doxorubicin in breast cancer cells (MCF-7) upon blue irradiation.
A model of head-related transfer functions based on a state-space analysis
NASA Astrophysics Data System (ADS)
Adams, Norman Herkamp
This dissertation develops and validates a novel state-space method for binaural auditory display. Binaural displays seek to immerse a listener in a 3D virtual auditory scene with a pair of headphones. The challenge for any binaural display is to compute the two signals to supply to the headphones. The present work considers a general framework capable of synthesizing a wide variety of auditory scenes. The framework models collections of head-related transfer functions (HRTFs) simultaneously. This framework improves the flexibility of contemporary displays, but it also compounds the steep computational cost of the display. The cost is reduced dramatically by formulating the collection of HRTFs in the state-space and employing order-reduction techniques to design efficient approximants. Order-reduction techniques based on the Hankel-operator are found to yield accurate low-cost approximants. However, the inter-aural time difference (ITD) of the HRTFs degrades the time-domain response of the approximants. Fortunately, this problem can be circumvented by employing a state-space architecture that allows the ITD to be modeled outside of the state-space. Accordingly, three state-space architectures are considered. Overall, a multiple-input, single-output (MISO) architecture yields the best compromise between performance and flexibility. The state-space approximants are evaluated both empirically and psychoacoustically. An array of truncated FIR filters is used as a pragmatic reference system for comparison. For a fixed cost bound, the state-space systems yield lower approximation error than FIR arrays for D>10, where D is the number of directions in the HRTF collection. A series of headphone listening tests are also performed to validate the state-space approach, and to estimate the minimum order N of indiscriminable approximants. For D = 50, the state-space systems yield order thresholds less than half those of the FIR arrays. Depending upon the stimulus uncertainty, a
Accurate monotone cubic interpolation
NASA Technical Reports Server (NTRS)
Huynh, Hung T.
1991-01-01
Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.
Efficient application of the spectrally integrated Voigt function to radiative transfer spectroscopy
NASA Astrophysics Data System (ADS)
Abrarov, Sanjar
We present a new application of the spectrally integrated Voigt function (SIVF) to the radiative transfer spectroscopy that enables computation of the spectral radiance and radiance at reduced spectral resolution. Applying a technique based on the Fourier expansion of the exponential multiplier we obtain the series approximations providing high-accuracy and rapid SIVF computation. In contrast to traditional line-by-line (LBL) radiative transfer models, the proposed SIVF algorithm prevents underestimation in the absorption coefficients and, therefore, preserves the radiant energy. LBL sample computations utilizing SIVF algorithm show the advantages of the proposed methodology in terms of the accuracy and computational speed.
Mechanism of transfer of functional microRNAs between mouse dendritic cells via exosomes
Montecalvo, Angela; Larregina, Adriana T.; Shufesky, William J.; Beer Stolz, Donna; Sullivan, Mara L. G.; Karlsson, Jenny M.; Baty, Catherine J.; Gibson, Gregory A.; Erdos, Geza; Wang, Zhiliang; Milosevic, Jadranka; Tkacheva, Olga A.; Divito, Sherrie J.; Jordan, Rick; Lyons-Weiler, James; Watkins, Simon C.
2012-01-01
Dendritic cells (DCs) are the most potent APCs. Whereas immature DCs down-regulate T-cell responses to induce/maintain immunologic tolerance, mature DCs promote immunity. To amplify their functions, DCs communicate with neighboring DCs through soluble mediators, cell-to-cell contact, and vesicle exchange. Transfer of nanovesicles (< 100 nm) derived from the endocytic pathway (termed exosomes) represents a novel mechanism of DC-to-DC communication. The facts that exosomes contain exosome-shuttle miRNAs and DC functions can be regulated by exogenous miRNAs, suggest that DC-to-DC interactions could be mediated through exosome-shuttle miRNAs, a hypothesis that remains to be tested. Importantly, the mechanism of transfer of exosome-shuttle miRNAs from the exosome lumen to the cytosol of target cells is unknown. Here, we demonstrate that DCs release exosomes with different miRNAs depending on the maturation of the DCs. By visualizing spontaneous transfer of exosomes between DCs, we demonstrate that exosomes fused with the target DCs, the latter followed by release of the exosome content into the DC cytosol. Importantly, exosome-shuttle miRNAs are functional, because they repress target mRNAs of acceptor DCs. Our findings unveil a mechanism of transfer of exosome-shuttle miRNAs between DCs and its role as a means of communication and posttranscriptional regulation between DCs. PMID:22031862
Direct measurement of the spectral transfer function of a laser based anemometer.
Angelou, Nikolas; Mann, Jakob; Sjöholm, Mikael; Courtney, Michael
2012-03-01
The effect of a continuous-wave (cw) laser based anemometer's probe volume on the measurement of wind turbulence is studied in this paper. Wind speed time series acquired by both a remote sensing cw laser anemometer, whose line-of-sight was aligned with the wind direction, and by a reference sensor (sonic anemometer) located in the same direction, were used. The spectral transfer function, which describes the attenuation of the power spectral density of the wind speed turbulence, was calculated and found to be in good agreement with the theoretical exponential function, which is based on the properties of the probe volume of a focused Gaussian laser beam. Parameters such as fluctuations of the wind direction, as well as the overestimation of the laser Doppler spectrum threshold, were found to affect the calculation of the spectral transfer function by introducing high frequency noise.
NASA Astrophysics Data System (ADS)
Richardson, Jeremy O.; Bauer, Rainer; Thoss, Michael
2015-10-01
We present semiclassical approximations to Green's functions of multidimensional systems, extending Gutzwiller's work to the classically forbidden region. Based on steepest-descent integrals over these functions, we derive an instanton method for computing the rate of nonadiabatic reactions, such as electron transfer, in the weak-coupling limit, where Fermi's golden-rule can be employed. This generalizes Marcus theory to systems for which the environment free-energy curves are not harmonic and where nuclear tunnelling plays a role. The derivation avoids using the Im F method or short-time approximations to real-time correlation functions. A clear physical interpretation of the nuclear tunnelling processes involved in an electron-transfer reaction is thus provided. In Paper II [J. O. Richardson, J. Chem. Phys. 143, 134116 (2015)], we discuss numerical evaluation of the formulae.
Direct measurement of the spectral transfer function of a laser based anemometer.
Angelou, Nikolas; Mann, Jakob; Sjöholm, Mikael; Courtney, Michael
2012-03-01
The effect of a continuous-wave (cw) laser based anemometer's probe volume on the measurement of wind turbulence is studied in this paper. Wind speed time series acquired by both a remote sensing cw laser anemometer, whose line-of-sight was aligned with the wind direction, and by a reference sensor (sonic anemometer) located in the same direction, were used. The spectral transfer function, which describes the attenuation of the power spectral density of the wind speed turbulence, was calculated and found to be in good agreement with the theoretical exponential function, which is based on the properties of the probe volume of a focused Gaussian laser beam. Parameters such as fluctuations of the wind direction, as well as the overestimation of the laser Doppler spectrum threshold, were found to affect the calculation of the spectral transfer function by introducing high frequency noise. PMID:22462910
Charge-transfer-directed radical substitution enables para-selective C-H functionalization
NASA Astrophysics Data System (ADS)
Boursalian, Gregory B.; Ham, Won Seok; Mazzotti, Anthony R.; Ritter, Tobias
2016-08-01
Efficient C-H functionalization requires selectivity for specific C-H bonds. Progress has been made for directed aromatic substitution reactions to achieve ortho and meta selectivity, but a general strategy for para-selective C-H functionalization has remained elusive. Herein we introduce a previously unappreciated concept that enables nearly complete para selectivity. We propose that radicals with high electron affinity elicit arene-to-radical charge transfer in the transition state of radical addition, which is the factor primarily responsible for high positional selectivity. We demonstrate with a simple theoretical tool that the selectivity is predictable and show the utility of the concept through a direct synthesis of aryl piperazines. Our results contradict the notion, widely held by organic chemists, that radical aromatic substitution reactions are inherently unselective. The concept of radical substitution directed by charge transfer could serve as the basis for the development of new, highly selective C-H functionalization reactions.
Charge-transfer-directed radical substitution enables para-selective C–H functionalization
NASA Astrophysics Data System (ADS)
Boursalian, Gregory B.; Ham, Won Seok; Mazzotti, Anthony R.; Ritter, Tobias
2016-08-01
Efficient C–H functionalization requires selectivity for specific C–H bonds. Progress has been made for directed aromatic substitution reactions to achieve ortho and meta selectivity, but a general strategy for para-selective C–H functionalization has remained elusive. Herein we introduce a previously unappreciated concept that enables nearly complete para selectivity. We propose that radicals with high electron affinity elicit arene-to-radical charge transfer in the transition state of radical addition, which is the factor primarily responsible for high positional selectivity. We demonstrate with a simple theoretical tool that the selectivity is predictable and show the utility of the concept through a direct synthesis of aryl piperazines. Our results contradict the notion, widely held by organic chemists, that radical aromatic substitution reactions are inherently unselective. The concept of radical substitution directed by charge transfer could serve as the basis for the development of new, highly selective C–H functionalization reactions.
The phase-integral method for radiative transfer problems with highly-peaked phase functions
NASA Technical Reports Server (NTRS)
Fricke, C. L.
1978-01-01
Complete solutions to the radiative transfer equation, including both azimuth and depth dependence, are provided by the discrete-ordinate method of Chandrasekhar, but these solutions are often limited because of large computer requirements. This paper presents a 'phase-integral' method which greatly reduces the number of discrete ordinates needed in the solution for highly peaked phase functions. A composite quadrature method is shown to be effective in further reducing the number of discrete ordinates required for highly anisotropic phase functions. Examples are given to indicate convergence requirements and expected accuracy in the complete solution for Henyey-Greenstein and cloud-type phase functions.
Yang, Chao; Jiang, Wen; Chen, Dong-Hua; Adiga, Umesh; Ng, Esmond G.; Chiu, Wah
2008-07-28
The three-dimensional reconstruction of macromolecules from two-dimensional single-particle electron images requires determination and correction of the contrast transfer function (CTF) and envelope function. A computational algorithm based on constrained non-linear optimization is developed to estimate the essential parameters in the CTF and envelope function model simultaneously and automatically. The application of this estimation method is demonstrated with focal series images of amorphous carbon film as well as images of ice-embedded icosahedral virus particles suspended across holes.
NASA Astrophysics Data System (ADS)
Bandyopadhyay, Arkamita; Pati, Swapan K.
2015-03-01
Density functional theory calculations have been performed on three charge transfer donor-acceptor (D-A) molecular pairs, i.e. naphthalene-diamine (Naph) and tetrathiafulvalene (TTF) molecules as electron donors and benzene-diimide (Diimide) and tetracyanoquinodimethane (TCNQ) as electron acceptors. Structural, charge transfer and optical properties of the systems have been studied. The D-A pairs then has been considered inside a macrocycle (cucurbit[8]uril) cavity and Naph-Diimide and TTF-Diimide pairs have been shown to exhibit changes in their structures and orientations, TTF-TCNQ pair does not show any significant structural change. Our work suggests that these changes in structures or orientations are result of electronic repulsion between the keto group oxygen atoms and it can lead to tuning of charge transfer and optical properties of the systems.
Cui, Feng-Chao; Pan, Xiao-Liang; Liu, Wei; Liu, Jing-Yao
2011-11-15
The mechanism of the methyl transfer catalyzed by chalcone O-methyltransferase has been computationally investigated by employing the hybrid functional B3LYP. Two models are constructed based on the two conformations of the substrate isoliquiritigenin in the X-ray structure. Our calculations show that the overall reaction is divided into two elementary steps: the water-assisted deprotonation of the substrate by His278 as a catalytic base, followed by the methyl transfer from S-adenosyl-L-methionine (SAM) to the substrate. The calculated rate-limiting barriers for the methyl-transfer step indicate that the catalytic reactions are energetically feasible for both conformations adopted by the substrate. PMID:21815175
Finkina, E. I.; Melnikova, D. N.; Bogdanov, I. V.; Ovchinnikova, T. V.
2016-01-01
Among a variety of molecular factors of the plant innate immune system, small proteins that transfer lipids and exhibit a broad spectrum of biological activities are of particular interest. These are lipid transfer proteins (LTPs). LTPs are interesting to researchers for three main features. The first feature is the ability of plant LTPs to bind and transfer lipids, whereby these proteins got their name and were combined into one class. The second feature is that LTPs are defense proteins that are components of plant innate immunity. The third feature is that LTPs constitute one of the most clinically important classes of plant allergens. In this review, we summarize the available data on the plant LTP structure, biological properties, diversity of functions, mechanisms of action, and practical applications, emphasizing their role in plant physiology and their significance in human life. PMID:27437139
New Precision Measurements of Deuteron Structure Function A(Q) at Low Momentum Transfer
Lee, Byungwuek
2009-08-01
Differences between previous measurements of low momentum transfer electron-deuteron elastic scattering prevent a clean determination of even the sign of the leading low momentum transfer relativistic corrections, or of the convergence of chiral perturbation theory. We have attempted to resolve this issue with a new high-precision measurement in Jefferson Lab Hall A. Elastic electron scattering was measured on targets of tantalum, carbon, hydrogen, and deuterium at beam energy of 685 MeV. The four-momentum transfer covered the range of 0.15 - 0.7 GeV. The experiment included a new beam calorimeter, to better calibrate the low beam currents used in the experiment, and new collimators to better define the spectrometer solid angles. We obtained cross sections of deuteron as ratios to hydrogen cross sections. A fit function of B(Q) world data is newly made and subtracted from cross sections to find values of A(Q).
Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Egidi, Franco; Puzzarini, Cristina
2015-01-01
The CCSD(T) model coupled with extrapolation to the complete basis-set limit and additive approaches represents the “golden standard” for the structural and spectroscopic characterization of building blocks of biomolecules and nanosystems. However, when open-shell systems are considered, additional problems related to both specific computational difficulties and the need of obtaining spin-dependent properties appear. In this contribution, we present a comprehensive study of the molecular structure and spectroscopic (IR, Raman, EPR) properties of the phenyl radical with the aim of validating an accurate computational protocol able to deal with conjugated open-shell species. We succeeded in obtaining reliable and accurate results, thus confirming and, partly, extending the available experimental data. The main issue to be pointed out is the need of going beyond the CCSD(T) level by including a full treatment of triple excitations in order to fulfil the accuracy requirements. On the other hand, the reliability of density functional theory in properly treating open-shell systems has been further confirmed. PMID:23802956
Yu, Sanjiu; Zhang, Yuan; Luo, Zhong; Yang, Hua; Zhou, Yue; Zheng, Xiaoqi
2014-01-01
Protein structure prediction is critical to functional annotation of the massively accumulated biological sequences, which prompts an imperative need for the development of high-throughput technologies. As a first and key step in protein structure prediction, protein structural class prediction becomes an increasingly challenging task. Amongst most homological-based approaches, the accuracies of protein structural class prediction are sufficiently high for high similarity datasets, but still far from being satisfactory for low similarity datasets, i.e., below 40% in pairwise sequence similarity. Therefore, we present a novel method for accurate and reliable protein structural class prediction for both high and low similarity datasets. This method is based on Support Vector Machine (SVM) in conjunction with integrated features from position-specific score matrix (PSSM), PROFEAT and Gene Ontology (GO). A feature selection approach, SVM-RFE, is also used to rank the integrated feature vectors through recursively removing the feature with the lowest ranking score. The definitive top features selected by SVM-RFE are input into the SVM engines to predict the structural class of a query protein. To validate our method, jackknife tests were applied to seven widely used benchmark datasets, reaching overall accuracies between 84.61% and 99.79%, which are significantly higher than those achieved by state-of-the-art tools. These results suggest that our method could serve as an accurate and cost-effective alternative to existing methods in protein structural classification, especially for low similarity datasets. PMID:24675610
NASA Astrophysics Data System (ADS)
Wiktor, Julia; Jomard, Gérald; Torrent, Marc
2015-09-01
Many techniques have been developed in the past in order to compute positron lifetimes in materials from first principles. However, there is still a lack of a fast and accurate self-consistent scheme that could handle accurately the forces acting on the ions induced by the presence of the positron. We will show in this paper that we have reached this goal by developing the two-component density functional theory within the projector augmented-wave (PAW) method in the open-source code abinit. This tool offers the accuracy of the all-electron methods with the computational efficiency of the plane-wave ones. We can thus deal with supercells that contain few hundreds to thousands of atoms to study point defects as well as more extended defects clusters. Moreover, using the PAW basis set allows us to use techniques able to, for instance, treat strongly correlated systems or spin-orbit coupling, which are necessary to study heavy elements, such as the actinides or their compounds.
Bacterial Genes in the Aphid Genome: Absence of Functional Gene Transfer from Buchnera to Its Host
Nikoh, Naruo; McCutcheon, John P.; Kudo, Toshiaki; Miyagishima, Shin-ya; Moran, Nancy A.; Nakabachi, Atsushi
2010-01-01
Genome reduction is typical of obligate symbionts. In cellular organelles, this reduction partly reflects transfer of ancestral bacterial genes to the host genome, but little is known about gene transfer in other obligate symbioses. Aphids harbor anciently acquired obligate mutualists, Buchnera aphidicola (Gammaproteobacteria), which have highly reduced genomes (420–650 kb), raising the possibility of gene transfer from ancestral Buchnera to the aphid genome. In addition, aphids often harbor other bacteria that also are potential sources of transferred genes. Previous limited sampling of genes expressed in bacteriocytes, the specialized cells that harbor Buchnera, revealed that aphids acquired at least two genes from bacteria. The newly sequenced genome of the pea aphid, Acyrthosiphon pisum, presents the first opportunity for a complete inventory of genes transferred from bacteria to the host genome in the context of an ancient obligate symbiosis. Computational screening of the entire A. pisum genome, followed by phylogenetic and experimental analyses, provided strong support for the transfer of 12 genes or gene fragments from bacteria to the aphid genome: three LD–carboxypeptidases (LdcA1, LdcA2,ψLdcA), five rare lipoprotein As (RlpA1-5), N-acetylmuramoyl-L-alanine amidase (AmiD), 1,4-beta-N-acetylmuramidase (bLys), DNA polymerase III alpha chain (ψDnaE), and ATP synthase delta chain (ψAtpH). Buchnera was the apparent source of two highly truncated pseudogenes (ψDnaE and ψAtpH). Most other transferred genes were closely related to genes from relatives of Wolbachia (Alphaproteobacteria). At least eight of the transferred genes (LdcA1, AmiD, RlpA1-5, bLys) appear to be functional, and expression of seven (LdcA1, AmiD, RlpA1-5) are highly upregulated in bacteriocytes. The LdcAs and RlpAs appear to have been duplicated after transfer. Our results excluded the hypothesis that genome reduction in Buchnera has been accompanied by gene transfer to the host
NASA Astrophysics Data System (ADS)
Le Roy, Robert J.; Walji, Sadru; Sentjens, Katherine
2013-06-01
Alkali hydride diatomic molecules have long been the object of spectroscopic studies. However, their small reduced mass makes them species for which the conventional semiclassical-based methods of analysis tend to have the largest errors. To date, the only quantum-mechanically accurate direct-potential-fit (DPF) analysis for one of these molecules was the one for LiH reported by Coxon and Dickinson. The present paper extends this level of analysis to NaH, and reports a DPF analysis of all available spectroscopic data for the A ^1Σ^+-X ^1Σ^+ system of NaH which yields analytic potential energy functions for these two states that account for those data (on average) to within the experimental uncertainties. W.C. Stwalley, W.T. Zemke and S.C. Yang, J. Phys. Chem. Ref. Data {20}, 153-187 (1991). J.A. Coxon and C.S. Dickinson, J. Chem. Phys. {121}, 8378 (2004).
Doherty, Kimberly R. Talbert, Dominique R.; Trusk, Patricia B.; Moran, Diarmuid M.; Shell, Scott A.; Bacus, Sarah
2015-05-15
Safety pharmacology studies that evaluate new drug entities for potential cardiac liability remain a critical component of drug development. Current studies have shown that in vitro tests utilizing human induced pluripotent stem cell-derived cardiomyocytes (hiPS-CM) may be beneficial for preclinical risk evaluation. We recently demonstrated that an in vitro multi-parameter test panel assessing overall cardiac health and function could accurately reflect the associated clinical cardiotoxicity of 4 FDA-approved targeted oncology agents using hiPS-CM. The present studies expand upon this initial observation to assess whether this in vitro screen could detect cardiotoxicity across multiple drug classes with known clinical cardiac risks. Thus, 24 drugs were examined for their effect on both structural (viability, reactive oxygen species generation, lipid formation, troponin secretion) and functional (beating activity) endpoints in hiPS-CM. Using this screen, the cardiac-safe drugs showed no effects on any of the tests in our panel. However, 16 of 18 compounds with known clinical cardiac risk showed drug-induced changes in hiPS-CM by at least one method. Moreover, when taking into account the Cmax values, these 16 compounds could be further classified depending on whether the effects were structural, functional, or both. Overall, the most sensitive test assessed cardiac beating using the xCELLigence platform (88.9%) while the structural endpoints provided additional insight into the mechanism of cardiotoxicity for several drugs. These studies show that a multi-parameter approach examining both cardiac cell health and function in hiPS-CM provides a comprehensive and robust assessment that can aid in the determination of potential cardiac liability. - Highlights: • 24 drugs were tested for cardiac liability using an in vitro multi-parameter screen. • Changes in beating activity were the most sensitive in predicting cardiac risk. • Structural effects add in
Clark, Edward L.; Henfling, John F.; McBride, Donald D.
1999-05-12
An inverse Fourier transform method for removing lag from pressure measurements has been used by various researchers, given an experimentally derived transfer function to characterize the pressure plumbing. This paper presents a Method of Characteristics (MOC) solution technique for predicting the transfer function and thus easily determining its sensitivity to various plumbing pammeters. The MOC solution has been used in the pipeline industry for some time for application to transient flow in pipelines, but it also lends itself well to this application. For highly nonsteady pressures frequency-dependent friction can cause significant distortion of the traveling waves. This is accounted for in the formulation. A simple bench experiment and proof-of-principle test provide evidence to establish the range of validity of the method.
NASA Astrophysics Data System (ADS)
Yang, Shenyuan; Yoon, Mina; Hicke, Christian; Zhang, Zhenyu; Wang, Enge
2008-09-01
Endohedral metallofullerenes constitute an appealing class of nanoscale building blocks for fabrication of a wide range of materials. One open question of fundamental importance is the precise nature of charge redistribution within the carbon cages (Cn) upon metal encapsulation. Using ab initio density functional theory, we systematically study the electronic structure of metallofullerenes, focusing on the spatial charge redistribution. For large metallofullerenes (n>32) , the valence electrons of the metal atoms are all transferred to the fullerene states. Surprisingly, the transferred charge is found to be highly localized inside the cage near the metal cations rather than uniformly distributed on the surfaces of the carbon cage as traditionally believed. This counterintuitive charge localization picture is attributed to the strong metal-cage interactions within the systems. These findings may prove to be instrumental in the design of fullerene-based functional nanomaterials.
NASA Technical Reports Server (NTRS)
Weissman, D. E.; Johnson, J. W.
1984-01-01
The directional spectrum and the microwave modulation transfer function of ocean waves can be measured with the airborne two frequency scatterometer technique. Similar to tower based observations, the aircraft measurements of the Modulation Transfer Function (MTF) show that it is strongly affected by both wind speed and sea state. Also detected are small differences in the magnitudes of the MTF between downwind and upwind radar look directions, and variations with ocean wavenumber. The MTF inferred from the two frequency radar is larger than that measured using single frequency, wave orbital velocity techniques such as tower based radars or ROWS measurements from low altitude aircraft. Possible reasons for this are discussed. The ability to measure the ocean directional spectrum with the two frequency scatterometer, with supporting MTF data, is demonstrated.
Method and apparatus for transfer function simulator for testing complex systems
NASA Technical Reports Server (NTRS)
Kavaya, M. J. (Inventor)
1985-01-01
A method and apparatus for testing the operation of a complex stabilization circuit in a closed loop system is presented. The method is comprised of a programmed analog or digital computing system for implementing the transfer function of a load thereby providing a predictable load. The digital computing system employs a table stored in a microprocessor in which precomputed values of the load transfer function are stored for values of input signal from the stabilization circuit over the range of interest. This technique may be used not only for isolating faults in the stabilization circuit, but also for analyzing a fault in a faulty load by so varying parameters of the computing system as to simulate operation of the actual load with the fault.
NASA Astrophysics Data System (ADS)
Mayer, A.; Vigneron, J.-P.
1999-07-01
Electronic projection imaging is described in the framework of a multiple-scattering theory, by using a combination of transfer-matrix and Green's-function formalisms. The transfer-matrix methodology is used to compute the wave propagation within the tip and object scattering region, while the Green's-function formalism is used to describe the electron projection from the scatterers towards a distant imaging screen. This full-order theory is needed to overcome the limits of the first Born approximation and deal with three-dimensional effects. In particular, this approach is able to account for sucking-in and standing-wave effects taking place close to or inside the object. The simulation of the electronic diffraction by a model nanoscopic carbon rod, eventually containing inhomogeneities, is considered in detail.
NASA Astrophysics Data System (ADS)
Xie, L. B.; Wu, C. Y.; Shieh, L. S.; Tsai, J. S. H.
2015-03-01
This paper presents an extended adjoint decoupling method to conduct the digital decoupling controller design for the continuous-time transfer function matrices with multiple (integer/fractional) time delays in both the denominator and the numerator matrix. First, based on the sampled unit-step response data of the afore-mentioned multiple time-delay system, the conventional balanced model-reduction method is utilised to construct an approximated discrete-time model of the original (known/unknown) multiple time-delay continuous-time transfer function matrix. Then, a digital decoupling controller is designed by utilising the extended adjoint decoupling method together with the conventional discrete-time root-locus method. An illustrative example is given to demonstrate the effectiveness of the proposed method.
NASA Astrophysics Data System (ADS)
Kim, Deokman; Hong, Seongkyeol; Jang, Jaesung; Park, Junhong
2013-07-01
We present the simultaneous measurement of mass and position of micro-beads attached to the cantilever-based mass sensors using the transfer function method. 10 μm diameter micro-beads were placed on micro-cantilevers and the cantilevers were excited by lead-zirconate-titanate through low-pass filtered random voltages. The cantilever vibration was measured via a laser Doppler vibrometer before and after applying the beads. From the measured transfer function, the bead position was identified using its influence on the cantilever kinetic energy. The bead mass was then obtained by analyzing the wave propagation near the beads. The predicted position and mass agreed well with actual values.
Method of calculating retroreflector-array transfer functions. [laser range finders
NASA Technical Reports Server (NTRS)
Arnold, D. A.
1978-01-01
Techniques and equations used in calculating the transfer functions to relate the observed return laser pulses to the center of mass of the Lageos satellite retroflector array, and for most of the retroreflector-equipped satellites now in orbit are described. The methods derived include the effects of coherent interference, diffraction, polarization, and dihedral-angle offsets. Particular emphasis is given to deriving expressions for the diffraction pattern and active reflecting area of various cube-corner designs.
SUMO-1 gene transfer improves cardiac function in a large-animal model of heart failure.
Tilemann, Lisa; Lee, Ahyoung; Ishikawa, Kiyotake; Aguero, Jaume; Rapti, Kleopatra; Santos-Gallego, Carlos; Kohlbrenner, Erik; Fish, Kenneth M; Kho, Changwon; Hajjar, Roger J
2013-11-13
Recently, the impact of small ubiquitin-related modifier 1 (SUMO-1) on the regulation and preservation of sarcoplasmic reticulum calcium adenosine triphosphatase (SERCA2a) function was discovered. The amount of myocardial SUMO-1 is decreased in failing hearts, and its knockdown results in severe heart failure (HF) in mice. In a previous study, we showed that SUMO-1 gene transfer substantially improved cardiac function in a murine model of pressure overload-induced HF. Toward clinical translation, we evaluated in this study the effects of SUMO-1 gene transfer in a swine model of ischemic HF. One month after balloon occlusion of the proximal left anterior descending artery followed by reperfusion, the animals were randomized to receive either SUMO-1 at two doses, SERCA2a, or both by adeno-associated vector type 1 (AAV1) gene transfer via antegrade coronary infusion. Control animals received saline infusions. After gene delivery, there was a significant increase in the maximum rate of pressure rise [dP/dt(max)] that was most pronounced in the group that received both SUMO-1 and SERCA2a. The left ventricular ejection fraction (LVEF) improved after high-dose SUMO-1 with or without SERCA2a gene delivery, whereas there was a decline in LVEF in the animals receiving saline. Furthermore, the dilatation of LV volumes was prevented in the treatment groups. SUMO-1 gene transfer therefore improved cardiac function and stabilized LV volumes in a large-animal model of HF. These results support the critical role of SUMO-1 in SERCA2a function and underline the therapeutic potential of SUMO-1 for HF patients.
Analysis of voltage effect on holographic gratings by modulation transfer function.
Fontanilla-Urdaneta, Rosangela Coromoto; Olivares-Pérez, Arturo; Fuentes-Tapia, Israel; Ríos-Velasco, Mónica Areli
2011-05-01
The experimental data allow us to determine the imaging quality of holographic gratings with photosensitive film using organic material based on a polyvinyl alcohol matrix doped with potassium dichromate and nickel (II) chloride hexahydrate. The diffraction efficiency is estimated by different spatial frequencies, and the readout image quality is analyzed by the modulation transfer function. The experiment is carried out, with and without voltage application, at different spatial frequencies to obtain the image quality of photosensitive film.
2010-01-01
Background Plasmodium falciparum is the main causative agent of malaria. Of the 5 484 predicted genes of P. falciparum, about 57% do not have sufficient sequence similarity to characterized genes in other species to warrant functional assignments. Non-homology methods are thus needed to obtain functional clues for these uncharacterized genes. Gene expression data have been widely used in the recent years to help functional annotation in an intra-species way via the so-called Guilt By Association (GBA) principle. Results We propose a new method that uses gene expression data to assess inter-species annotation transfers. Our approach starts from a set of likely orthologs between a reference species (here S. cerevisiae and D. melanogaster) and a query species (P. falciparum). It aims at identifying clusters of coexpressed genes in the query species whose coexpression has been conserved in the reference species. These conserved clusters of coexpressed genes are then used to assess annotation transfers between genes with low sequence similarity, enabling reliable transfers of annotations from the reference to the query species. The approach was used with transcriptomic data sets of P. falciparum, S. cerevisiae and D. melanogaster, and enabled us to propose with high confidence new/refined annotations for several dozens hypothetical/putative P. falciparum genes. Notably, we revised the annotation of genes involved in ribosomal proteins and ribosome biogenesis and assembly, thus highlighting several potential drug targets. Conclusions Our approach uses both sequence similarity and gene expression data to help inter-species gene annotation transfers. Experiments show that this strategy improves the accuracy achieved when using solely sequence similarity and outperforms the accuracy of the GBA approach. In addition, our experiments with P. falciparum show that it can infer a function for numerous hypothetical genes. PMID:20078859
Grimm, K.N.; Meneghetti, D.
1986-09-01
Time constants, feedback reactivity transfer functions and power coefficients are calculated for stereotypical subassemblies in the EBR-II reactor. These quantities are calculated from nodal reactivities obtained from a reactor kinetic code analysis for a step change in power. Due to the multiplicity of eigenvalues, there are several time constants for each nodal position in a subassembly. Compared with these calculated values are analytically derived values for the initial node of a given channel.
NASA Technical Reports Server (NTRS)
Lung, Shun-Fat; Ko, William L.
2016-01-01
The displacement transfer functions (DTFs) were applied to the GIII swept wing for the deformed shape prediction. The calculated deformed shapes are very close to the correlated finite element results as well as the measured data. The convergence study showed that using 17 strain stations, the wing-tip displacement prediction error was 1.6 percent, and that there is no need to use a large number of strain stations for G-III wing shape predictions.
NASA Astrophysics Data System (ADS)
Swindles, Graeme T.; Holden, Joseph; Raby, Cassandra L.; Turner, T. Edward; Blundell, Antony; Charman, Dan J.; Menberu, Meseret Walle; Kløve, Bjørn
2015-07-01
Transfer functions are now commonly used to reconstruct past environmental variability from palaeoecological data. However, such approaches need to be critically appraised. Testate amoeba-based transfer functions are an established method for the quantitative reconstruction of past water-table variations in peatlands, and have been applied to research questions in palaeoclimatology, peatland ecohydrology and archaeology. We analysed automatically-logged peatland water-table data from dipwells located in England, Wales and Finland and a suite of three year, one year and summer water-table statistics were calculated from each location. Surface moss samples were extracted from beside each dipwell and the testate amoebae community composition was determined. Two published transfer functions were applied to the testate-amoeba data for prediction of water-table depth (England and Europe). Our results show that estimated water-table depths based on the testate amoeba community reflect directional changes, but that they are poor representations of the real mean or median water-table magnitudes for the study sites. We suggest that although testate amoeba-based reconstructions can be used to identify past shifts in peat hydrology, they cannot currently be used to establish precise hydrological baselines such as those needed to inform management and restoration of peatlands. One approach to avoid confusion with contemporary water-table determinations is to use residuals or standardised values for peatland water-table reconstructions. We contend that our test of transfer functions against independent instrumental data sets may be more powerful than relying on statistical testing alone.
Modeling and estimating acoustic transfer functions of external ears with or without headphones.
Deng, Huiqun; Yang, Jun
2015-08-01
The acoustic transfer functions of external ears with or without headphones affect the features of perceived sounds and vary considerably with listeners and headphones. A method for estimating the frequency responses of external-ear transfer functions from the sound at the entrance of a blocked ear canal (or from the input of a headphone) to the sound at the eardrum for different listeners and headphones is developed based on an acoustic signal model of external ears. The model allows for applying realistic data about individual external ears and headphones and is advantageous over current standard ear simulators with fixed structures limited to simulating average ear canals and eardrum impedances below 10 kHz. Given different eardrum impedances, ear canal shapes, lengths, and headphones, the frequency responses of external-ear transfer functions are estimated and presented. In addition, a method of determining the Norton equivalent volume velocity or Thevenien equivalent sound pressure sources of a headphone from sound pressure signals in an acoustic tube is presented. These methods are validated via direct measurements and expected to have applications in headphone sound reproduction, headphone and hearing aid design, and audiometric and psychoacoustic measurements to produce desired sounds at the eardrums of different listeners.
Contrast transfer function in grating-based x-ray phase-contrast imaging
NASA Astrophysics Data System (ADS)
Huang, Jianheng; Du, Yang; Lin, Danying; Liu, Xin; Niu, Hanben
2014-05-01
x-Ray grating interferometry is a method for x-ray wave front sensing and phase-contrast imaging that has been developed over past few years. Contrast and resolution are the criteria used to specify the quality of an image. In characterizing the performance of this interferometer, the contrast transfer function is considered in this paper. The oscillatory nature of the contrast transfer function (CTF) is derived and quantified for this interferometer. The illumination source and digital detector are both considered as significant factors controlling image quality, and it can be noted that contrast and resolution in turn depends primarily on the projected intensity profile of the array source and the pixel size of the detector. Furthermore, a test pattern phantom with a well-controlled range of spatial frequencies was designed and imaging of this phantom was simulated by a computer. Contrast transfer function behavior observed in the simulated image is consistent with our theoretical CTF. This might be beneficial for the evaluation and optimization of a grating-based x-ray phase contrast imaging system.
Takashima, Ryoichi; Takiguchi, Tetsuya; Ariki, Yasuo
2010-02-01
This paper presents a sound-source-direction estimation method using only a single microphone with a parabolic reflection board. A simple signal-power-based method using a parabolic antenna has been proposed in the radar field. But the signal-power-based method is not effective for finding the direction of a talking person due to the varying power of the uttered speech signals. In this paper, the sound-source-direction estimation method focuses on the acoustic transfer function instead of the signal power. The use of the parabolic reflection board leads to a difference in the acoustic transfer functions of the target direction and the non-target directions, where the parabolic reflector and its associated microphone rotate together and observe the speech at each angle. The acoustic transfer function is estimated from the observed speech using the statistics of clean speech signals. Its effectiveness has been confirmed by monaural sound-source-direction estimation experiments in a room environment.
Detecting damage in non-uniform beams using the dereverberated transfer function response
NASA Astrophysics Data System (ADS)
Purekar, A. S.; Pines, D. J.; Purekar, A. S.
2000-08-01
Delamination damage in composite rotorcraft flexbeams caused by excessive vibratory and fatigue loads can lead to degradation in flapwise and lagwise performance of the rotor blade. In addition, delaminations can result in rapid fatigue failure of these tailored composite elements leading to catastrophic results. A novel damage detection strategy is evaluated in this work which attempts to exploit the dereverberated transfer function response of beams with tapered geometries. This approach avoids high fidelity finite element models of damaged one-dimensional beams with non-uniform geometries. To obtain the dereverberated transfer function response, a virtual control force is applied to the reverberated transfer function response to remove resonant and anti-resonant dynamics associated with the beam's boundary conditions. Magnitude and phase characteristics between each actuator and sensor can then be used to infer changing structural properties. Analytical and experimental results suggest that this approach can be used to quantitatively and qualitatively infer delamination damage in non-uniform beams. Experimental results are displayed for beams with varying thickness and width tapers.
Keissar, K; Maestri, R; Pinna, G D; La Rovere, M T; Gilad, O
2010-07-01
A novel approach for the estimation of baroreflex sensitivity (BRS) is introduced based on time-frequency analysis of the transfer function (TF). The TF method (TF-BRS) is a well-established non-invasive technique which assumes stationarity. This condition is difficult to meet, especially in cardiac patients. In this study, the classical TF was replaced with a wavelet transfer function (WTF) and the classical coherence was replaced with wavelet transform coherence (WTC), adding the time domain as an additional degree of freedom with dynamic error estimation. Error analysis and comparison between WTF-BRS and TF-BRS were performed using simulated signals with known transfer function and added noise. Similar comparisons were performed for ECG and blood pressure signals, in the supine position, of 19 normal subjects, 44 patients with a history of previous myocardial infarction (MI) and 45 patients with chronic heart failure. This yielded an excellent linear association (R > 0.94, p < 0.001) for time-averaged WTF-BRS, validating the new method as consistent with a known method. The additional advantage of dynamic analysis of coherence and TF estimates was illustrated in two physiological examples of supine rest and change of posture showing the evolution of BRS synchronized with its error estimations and sympathovagal balance. PMID:20585147
NASA Technical Reports Server (NTRS)
Ko, William L.; Fleischer, Van Tran
2013-01-01
Large deformation displacement transfer functions were formulated for deformed shape predictions of highly flexible slender structures like aircraft wings. In the formulation, the embedded beam (depth wise cross section of structure along the surface strain sensing line) was first evenly discretized into multiple small domains, with surface strain sensing stations located at the domain junctures. Thus, the surface strain (bending strains) variation within each domain could be expressed with linear of nonlinear function. Such piecewise approach enabled piecewise integrations of the embedded beam curvature equations [classical (Eulerian), physical (Lagrangian), and shifted curvature equations] to yield closed form slope and deflection equations in recursive forms.
Parameterization of the three-dimensional room transfer function in horizontal plane.
Bu, Bing; Abhayapala, Thushara D; Bao, Chang-chun; Zhang, Wen
2015-09-01
This letter proposes an efficient parameterization of the three-dimensional room transfer function (RTF) which is robust for the position variations of source and receiver in respective horizontal planes. Based on azimuth harmonic analysis, the proposed method exploits the underlying properties of the associated Legendre functions to remove a portion of the spherical harmonic coefficients of RTF which have no contribution in the horizontal plane. This reduction leads to a flexible measuring-point structure consisting of practical concentric circular arrays to extract horizontal plane RTF coefficients. The accuracy of the above parameterization is verified through numerical simulations. PMID:26428827
Doherty, Kimberly R; Talbert, Dominique R; Trusk, Patricia B; Moran, Diarmuid M; Shell, Scott A; Bacus, Sarah
2015-05-15
Safety pharmacology studies that evaluate new drug entities for potential cardiac liability remain a critical component of drug development. Current studies have shown that in vitro tests utilizing human induced pluripotent stem cell-derived cardiomyocytes (hiPS-CM) may be beneficial for preclinical risk evaluation. We recently demonstrated that an in vitro multi-parameter test panel assessing overall cardiac health and function could accurately reflect the associated clinical cardiotoxicity of 4 FDA-approved targeted oncology agents using hiPS-CM. The present studies expand upon this initial observation to assess whether this in vitro screen could detect cardiotoxicity across multiple drug classes with known clinical cardiac risks. Thus, 24 drugs were examined for their effect on both structural (viability, reactive oxygen species generation, lipid formation, troponin secretion) and functional (beating activity) endpoints in hiPS-CM. Using this screen, the cardiac-safe drugs showed no effects on any of the tests in our panel. However, 16 of 18 compounds with known clinical cardiac risk showed drug-induced changes in hiPS-CM by at least one method. Moreover, when taking into account the Cmax values, these 16 compounds could be further classified depending on whether the effects were structural, functional, or both. Overall, the most sensitive test assessed cardiac beating using the xCELLigence platform (88.9%) while the structural endpoints provided additional insight into the mechanism of cardiotoxicity for several drugs. These studies show that a multi-parameter approach examining both cardiac cell health and function in hiPS-CM provides a comprehensive and robust assessment that can aid in the determination of potential cardiac liability.
Lam, Quan; Kato, Mallory; Cheruzel, Lionel
2016-05-01
The unique photochemical properties of Ru(II)-diimine complexes have helped initiate a series of seminal electron transfer studies in metalloenzymes. It has thus been possible to experimentally determine rate constants for long-range electron transfers. These studies have laid the foundation for the investigation of reactive intermediates in heme proteins and for the design of light-activated biocatalysts. Various metalloenzymes such as hydrogenase, carbon monoxide dehydrogenase, nitrogenase, laccase and cytochrome P450 BM3 have been functionalized with Ru(II)-diimine complexes. Upon visible light-excitation, these photosensitized metalloproteins are capable of sustaining photocatalytic activity to reduce small molecules such as protons, acetylene, hydrogen cyanide and carbon monoxide or activate molecular dioxygen to produce hydroxylated products. The Ru(II)-diimine photosensitizers are hence able to deliver multiple electrons to metalloenzymes buried active sites, circumventing the need for the natural redox partners. In this review, we will highlight the key achievements of the light-driven biocatalysts, which stem from the extensive electron transfer investigations. This article is part of a Special Issue entitled Biodesign for Bioenergetics--the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson.
Functional and Evolutionary Characterization of a Gene Transfer Agent's Multilocus "Genome".
Hynes, Alexander P; Shakya, Migun; Mercer, Ryan G; Grüll, Marc P; Bown, Luke; Davidson, Fraser; Steffen, Ekaterina; Matchem, Heidi; Peach, Mandy E; Berger, Tim; Grebe, Katherine; Zhaxybayeva, Olga; Lang, Andrew S
2016-10-01
Gene transfer agents (GTAs) are phage-like particles that can package and transfer a random piece of the producing cell's genome, but are unable to transfer all the genes required for their own production. As such, GTAs represent an evolutionary conundrum: are they selfish genetic elements propagating through an unknown mechanism, defective viruses, or viral structures "repurposed" by cells for gene exchange, as their name implies? In Rhodobacter capsulatus, production of the R. capsulatus GTA (RcGTA) particles is associated with a cluster of genes resembling a small prophage. Utilizing transcriptomic, genetic and biochemical approaches, we report that the RcGTA "genome" consists of at least 24 genes distributed across five distinct loci. We demonstrate that, of these additional loci, two are involved in cell recognition and binding and one in the production and maturation of RcGTA particles. The five RcGTA "genome" loci are widespread within Rhodobacterales, but not all loci have the same evolutionary histories. Specifically, two of the loci have been subject to frequent, probably virus-mediated, gene transfer events. We argue that it is unlikely that RcGTA is a selfish genetic element. Instead, our findings are compatible with the scenario that RcGTA is a virus-derived element maintained by the producing organism due to a selective advantage of within-population gene exchange. The modularity of the RcGTA "genome" is presumably a result of selection on the host organism to retain GTA functionality. PMID:27343288
Crustal Properties Across the Mid-Continent Rift via Transfer Function Analysis
NASA Astrophysics Data System (ADS)
Frederiksen, A. W.; Tyomkin, Y.; Campbell, R.; van der Lee, S.; Zhang, H.
2015-12-01
The Mid-Continent Rift (MCR), a failed Proterozoic rift structure in central North America, is a dominant feature of North American gravity maps. The rift underwent a combination of extension, magmatism, and later compression, and it is difficult to predict how these events affected the overall crustal thickness and bulk composition in the vicinity of the rift axis, though the associated gravity high indicates that large-volume mafic magmatism took place. The Superior Province Rifting Earthscope Experiment (SPREE) project instrumented the MCR with Flexible Array broadband seismographs from 2011 through 2013 in Minnesota and Wisconsin, along two lines crossing the rift axis as well as a line following the axis. We examine teleseismic P-coda data from SPREE and nearby Transportable Array instruments using a new technique: transfer-function analysis. In this approach, possible models of crustal structure are used to generate a predicted transfer function relating the radial and vertical components of the P coda at a particular site. The transfer function then allows generation of a misfit (between the true radial component and a synthetic radial component predicted from the vertical trace) without the need to perform receiver-function deconvolution, thus avoiding the deconvolution problems encountered with receiver functions in sedimentary basins. We use the transfer-function approach to perform a grid search over three crustal properties: crustal thickness, crustal P/S velocity ratio, and the thickness of an overlying sedimentary basin. Results for our SPREE/TA data set indicate that the crust is significantly thickened along the rift axis, with maximum thicknesses approaching 50 km; the crust is thinner (ca. 40 km) outside of the rift zone. The crustal thickness structure is particularly complex beneath southeastern Minnesota, where very strong Moho topography is present, as well as up to 2 km of sediment; further north, the Moho is smoother and the basin is not
NASA Astrophysics Data System (ADS)
Abellán, Antonio; Michoud, Clément; Jaboyedoff, Michel; Baillifard, François; Demierre, Jonathan; Carrea, Dario
2013-04-01
We present a model for ground displacements prediction using a transfer function. Model was mainly tested at the Barmasse rockslide (Valais, Switzerland) which is an active structurally-controlled instability formed by intensively deformed and metamorphosed mica schists. The kinematics of the slide, which currently threatens roads and inhabitants of the Bal de Bagnes Valley, is characterized by a continuous displacement with variable rates of displacements. Indeed, the velocity is strongly affected by external forces: a sharp increase in landslide velocity is observed with a short delay after every snow melting period and after each rainfall pulse. The instability is currently monitored by different remote sensing and in situ techniques (Terrestrial LiDAR, GB Radar and extensometers). In order to predict ground displacements, we developed a new model composed by two different parts: (a) calculation of the Effective Rainfall (Peff) and (b) modelling of the landslide velocity. First of all, Peff was obtained using Thornthwaite (1946) method, which estimates the water that infiltrates into the terrain as a function of the total precipitation, Real Evapo-Transpiration (ETR) and water recharge. Afterwards, the rates of displacement were modelled through a stochastic transfer function which links the Peff (input) with daily displacements (output). Model computes the displacement rates at each time lapse (e.g. one day) as a convolution of the above mentioned transfer function times daily effective rainfall during a certain time lapse (50 days in our case). The transfer function has two components: first component account for the sudden increase of landslide velocities after each rainfall pulse and second component account for the progressive decay. The variables of these functions were optimized in Matlab in order to minimize the error between the real and the modelled velocities. The model performance was assessed for two different response functions (following either
Low-thrust Orbit Transfers Using Candidate Lyapunov Functions with a Mechanism for Coasting
NASA Technical Reports Server (NTRS)
Petropoulos, Anastassios E.
2004-01-01
We consider low-thrust orbit transfers around a central body, where specified changes are sought in orbit elements except true anomaly. The desired changes in the remaining five elements can be arbitrarily large. Candidate Lyapunov functions are created based on analytic expressions for maximum rates of change of the orbit elements and the desired changes in the elements. These functions may be thought of as proximity quotients because they provide R measure of the proximity to the target orbit. The direction of thrust needed for steepest descent to the target orbit is also available analytically. The thrust is shutoff if the effectivity of the thrust at the current location on the osculating orbit is below some threshhold value. Thus, the equations of motion can be numerically integrated to obtain quickly and simply a transfer to the target orbit. A series of transfers can be easily computed to assess the trade-off between propellant mass and flight time. Preliminary comparisons to optimal solutions show that the method, while sub-optimal, performs well.
Improved transverse (e,e{sup '}) response function of {sup 3}He at intermediate momentum transfers
Efros, Victor D.; Leidemann, Winfried; Orlandini, Giuseppina; Tomusiak, Edward L.
2010-03-15
The transverse electron scattering response function of {sup 3}He is studied in the quasielastic peak region for momentum transfers between 500 and 700 MeV/c. A conventional description of the process leads to results that vary substantially from experiment. To improve the results, the present calculation is done in a reference frame [the active nucleon Breit (ANB) frame] that diminishes the influence of relativistic effects on nuclear states. The laboratory frame response function is then obtained via a kinematics transformation. In addition, a one-body nuclear current operator is employed that includes all leading-order relativistic corrections. Multipoles of this operator are listed. It is shown that the use of the ANB frame leads to a sizable shift in the quasielastic peak to lower energy and, contrary to the relativistic current, also to an increase in the peak height. The additionally considered meson exchange current contribution is quite small in the peak region. In comparison with experiment, there is excellent agreement of the peak positions. The peak height agrees well with experiment for the lowest considered momentum transfer (500 MeV/c) but tends to be too high for higher momentum transfer (10% at 700 MeV/c).
NASA Astrophysics Data System (ADS)
Basurto, Luis; Zope, Rajendra R.; Baruah, Tunna
2016-05-01
We report an electronic structure study of a multichromophoric molecular complex containing two of each borondipyrromethane dye, Zn-tetraphenyl-porphyrin, bisphenyl anthracene and a fullerene. The snowflake shaped molecule behaves like an antenna capturing photon at different frequencies and transferring the photon energy to the porphyrin where electron transfer occurs from the porphyrin to the fullerene. The study is performed within density functional formalism using large polarized Guassian basis sets (12,478 basis functions in total). The energies of the HOMO and LUMO states in the complex, as adjudged by the ionization potential and the electron affinity values, show significant differences with respect to their values in participating subunits in isolation. These differences are also larger than the variations of the ionization potential and electron affinity values observed in non-bonded C60-ZnTPP complexes in co-facial arrangement or end-on orientations. An understanding of the origin of these differences is obtained by a systematic study of the effect of structural strain, the presence of ligands, the effect of orbital delocalization on the ionization energy and the electron affinity. Finally, a few lowest charge transfer energies involving electronic transitions from the porphyrin component to the fullerene subunit of the complex are predicted.
Transference of function shapes organ identity in the dove tree inflorescence.
Vekemans, Dries; Viaene, Tom; Caris, Pieter; Geuten, Koen
2012-01-01
• An important evolutionary mechanism shaping the biodiversity of flowering plants is the transfer of function from one plant organ to another. To investigate whether and how transference of function is associated with the remodeling of the floral organ identity program we studied Davidia involucrata, a species with conspicuous, petaloid bracts subtending a contracted inflorescence with reduced flowers. • A detailed ontogeny enabled the interpretation of expression patterns of B-, C- and E-class homeotic MADS-box genes using qRT-PCR and in situ hybridization techniques. We investigated protein-protein interactions using yeast two-hybrid assays. • Although loss of organs does not appear to have affected organ identity in the retained organs of the reduced flowers of D. involucrata, the bracts express the B-class TM6 (Tomato MADS box gene 6) and GLOBOSA homologs, but not DEFICIENS, and the C-class AGAMOUS homolog, representing a subset of genes also involved in stamen identity. • Our results may illustrate how petal identity can be partially transferred outside the flower by expressing a subset of stamen identity genes. This adds to the molecular mechanisms explaining the diversity of plant reproductive morphology.
Intercomparison of methods for image quality characterization. I. Modulation transfer function
Samei, Ehsan; Ranger, Nicole T.; Dobbins, James T. III; Chen, Ying
2006-05-15
The modulation transfer function (MTF) and the noise power spectrum (NPS) are widely recognized as the most relevant metrics of resolution and noise performance in radiographic imaging. These quantities have commonly been measured using various techniques, the specifics of which can have a bearing on the accuracy of the results. As a part of a study aimed at comparing the relative performance of different techniques, in this paper we report on a comparison of two established MTF measurement techniques: one using a slit test device [Dobbins et al., Med. Phys. 22, 1581-1593 (1995)] and another using a translucent edge test device [Samei et al., Med. Phys. 25, 102-113 (1998)], with one another and with a third technique using an opaque edge test device recommended by a new international standard (IEC 62220-1, 2003). The study further aimed to substantiate the influence of various acquisition and processing parameters on the estimated MTF. The slit test device was made of 2 mm thick Pb slabs with a 12.5 {mu}m opening. The translucent edge test device was made of a laminated and polished Pt{sub 0.9}Ir{sub 0.1} alloy foil of 0.1 mm thickness. The opaque edge test device was made of a 2 mm thick W slab. All test devices were imaged on a representative indirect flat-panel digital radiographic system using three published beam qualities: 70 kV with 0.5 mm Cu filtration, 70 kV with 19 mm Al filtration, and 74 kV with 21 mm Al filtration (IEC-RQA5). The latter technique was also evaluated in conjunction with two external beam-limiting apertures (per IEC 62220-1), and with the tube collimator limiting the beam to the same area achieved with the apertures. The presampled MTFs were deduced from the acquired images by Fourier analysis techniques, and the results analyzed for relative values and the influence of impacting parameters. The findings indicated that the measurement technique has a notable impact on the resulting MTF estimate, with estimates from the overall IEC method
The Time Transfer Functions: an efficient tool to compute range, Doppler and astrometric observables
NASA Astrophysics Data System (ADS)
Hees, A.; Bertone, S.; Le Poncin-Lafitte, C.; Teyssandier, P.
2015-12-01
Determining range, Doppler and astrometric observables is of crucial interest for modelling and analyzing space observations. We recall how these observables can be computed when the travel time of a light ray is known as a function of the positions of the emitter and the receiver for a given instant of reception (or emission). For a long time, such a function--called a reception (or emission) time transfer function--has been almost exclusively calculated by integrating the null geodesic equations describing the light rays. However, other methods avoiding such an integration have been considerably developped in the last twelve years. We give a survey of the analytical results obtained with these new methods up to the third order in the gravitational constant G for a mass monopole. We briefly discuss the case of quasi-conjunctions, where higher-order enhanced terms must be taken into account for correctly calculating the effects. We summarize the results obtained at the first order in G when the multipole structure and the motion of an axisymmetric body is taken into account. We present some applications to on-going or future missions like Gaia and Juno. We give a short review of the recent works devoted to the numerical estimates of the time transfer functions and their derivatives.
Tovar-Moll, Fernanda; Monteiro, Myriam; Andrade, Juliana; Bramati, Ivanei E; Vianna-Barbosa, Rodrigo; Marins, Theo; Rodrigues, Erika; Dantas, Natalia; Behrens, Timothy E J; de Oliveira-Souza, Ricardo; Moll, Jorge; Lent, Roberto
2014-05-27
Why do humans born without the corpus callosum, the major interhemispheric commissure, lack the disconnection syndrome classically described in callosotomized patients? This paradox was discovered by Nobel laureate Roger Sperry in 1968, and has remained unsolved since then. To tackle the hypothesis that alternative neural pathways could explain this puzzle, we investigated patients with callosal dysgenesis using structural and functional neuroimaging, as well as neuropsychological assessments. We identified two anomalous white-matter tracts by deterministic and probabilistic tractography, and provide supporting resting-state functional neuroimaging and neuropsychological evidence for their functional role in preserved interhemispheric transfer of complex tactile information, such as object recognition. These compensatory pathways connect the homotopic posterior parietal cortical areas (Brodmann areas 39 and surroundings) via the posterior and anterior commissures. We propose that anomalous brain circuitry of callosal dysgenesis is determined by long-distance plasticity, a set of hardware changes occurring in the developing brain after pathological interference. So far unknown, these pathological changes somehow divert growing axons away from the dorsal midline, creating alternative tracts through the ventral forebrain and the dorsal midbrain midline, with partial compensatory effects to the interhemispheric transfer of cortical function. PMID:24821757
Tovar-Moll, Fernanda; Monteiro, Myriam; Andrade, Juliana; Bramati, Ivanei E.; Vianna-Barbosa, Rodrigo; Marins, Theo; Rodrigues, Erika; Dantas, Natalia; Behrens, Timothy E. J.; de Oliveira-Souza, Ricardo; Moll, Jorge; Lent, Roberto
2014-01-01
Why do humans born without the corpus callosum, the major interhemispheric commissure, lack the disconnection syndrome classically described in callosotomized patients? This paradox was discovered by Nobel laureate Roger Sperry in 1968, and has remained unsolved since then. To tackle the hypothesis that alternative neural pathways could explain this puzzle, we investigated patients with callosal dysgenesis using structural and functional neuroimaging, as well as neuropsychological assessments. We identified two anomalous white-matter tracts by deterministic and probabilistic tractography, and provide supporting resting-state functional neuroimaging and neuropsychological evidence for their functional role in preserved interhemispheric transfer of complex tactile information, such as object recognition. These compensatory pathways connect the homotopic posterior parietal cortical areas (Brodmann areas 39 and surroundings) via the posterior and anterior commissures. We propose that anomalous brain circuitry of callosal dysgenesis is determined by long-distance plasticity, a set of hardware changes occurring in the developing brain after pathological interference. So far unknown, these pathological changes somehow divert growing axons away from the dorsal midline, creating alternative tracts through the ventral forebrain and the dorsal midbrain midline, with partial compensatory effects to the interhemispheric transfer of cortical function. PMID:24821757
Tovar-Moll, Fernanda; Monteiro, Myriam; Andrade, Juliana; Bramati, Ivanei E; Vianna-Barbosa, Rodrigo; Marins, Theo; Rodrigues, Erika; Dantas, Natalia; Behrens, Timothy E J; de Oliveira-Souza, Ricardo; Moll, Jorge; Lent, Roberto
2014-05-27
Why do humans born without the corpus callosum, the major interhemispheric commissure, lack the disconnection syndrome classically described in callosotomized patients? This paradox was discovered by Nobel laureate Roger Sperry in 1968, and has remained unsolved since then. To tackle the hypothesis that alternative neural pathways could explain this puzzle, we investigated patients with callosal dysgenesis using structural and functional neuroimaging, as well as neuropsychological assessments. We identified two anomalous white-matter tracts by deterministic and probabilistic tractography, and provide supporting resting-state functional neuroimaging and neuropsychological evidence for their functional role in preserved interhemispheric transfer of complex tactile information, such as object recognition. These compensatory pathways connect the homotopic posterior parietal cortical areas (Brodmann areas 39 and surroundings) via the posterior and anterior commissures. We propose that anomalous brain circuitry of callosal dysgenesis is determined by long-distance plasticity, a set of hardware changes occurring in the developing brain after pathological interference. So far unknown, these pathological changes somehow divert growing axons away from the dorsal midline, creating alternative tracts through the ventral forebrain and the dorsal midbrain midline, with partial compensatory effects to the interhemispheric transfer of cortical function.
Compensated Box-Jenkins transfer function for short term load forecast
Breipohl, A.; Yu, Z.; Lee, F.N. . School of Electrical Engineering and Computer Science)
1992-01-01
In the past years, the Box-Jenkins ARIMA method and the Box-Jenkins transfer function method (BJTF) have been among the most commonly used methods for short term electrical load forecasting. But when there exists a sudden change in the temperature, both methods tend to exhibit larger errors in the forecast. This paper demonstrates that the load forecasting errors resulting from either the BJ ARIMA model or the BJTF model are not simply white noise, but rather well-patterned noise, and the patterns in the noise can be used to improve the forecasts. Thus a compensated Box-Jenkins transfer method (CBJTF) is proposed to improve the accuracy of the load prediction. Some case studies have been made which result in about a 14-33% reduction of the root mean square (RMS) errors of the forecasts, depending on the compensation time period as well as the compensation method used.
Uncertainty of Monetary Valued Ecosystem Services - Value Transfer Functions for Global Mapping.
Schmidt, Stefan; Manceur, Ameur M; Seppelt, Ralf
2016-01-01
Growing demand of resources increases pressure on ecosystem services (ES) and biodiversity. Monetary valuation of ES is frequently seen as a decision-support tool by providing explicit values for unconsidered, non-market goods and services. Here we present global value transfer functions by using a meta-analytic framework for the synthesis of 194 case studies capturing 839 monetary values of ES. For 12 ES the variance of monetary values could be explained with a subset of 93 study- and site-specific variables by utilizing boosted regression trees. This provides the first global quantification of uncertainties and transferability of monetary valuations. Models explain from 18% (water provision) to 44% (food provision) of variance and provide statistically reliable extrapolations for 70% (water provision) to 91% (food provision) of the terrestrial earth surface. Although the application of different valuation methods is a source of uncertainty, we found evidence that assuming homogeneity of ecosystems is a major error in value transfer function models. Food provision is positively correlated with better life domains and variables indicating positive conditions for human well-being. Water provision and recreation service show that weak ownerships affect valuation of other common goods negatively (e.g. non-privately owned forests). Furthermore, we found support for the shifting baseline hypothesis in valuing climate regulation. Ecological conditions and societal vulnerability determine valuation of extreme event prevention. Valuation of habitat services is negatively correlated with indicators characterizing less favorable areas. Our analysis represents a stepping stone to establish a standardized integration of and reporting on uncertainties for reliable and valid benefit transfer as an important component for decision support. PMID:26938447
Burkhart, Blakesley; Lazarian, A.; Ossenkopf, V.; Stutzki, J.
2013-07-10
We study the effects of radiative transfer on the probability distribution functions (PDFs) of simulations of magnetohydrodynamic turbulence in the widely studied {sup 13}CO 2-1 transition. We find that the integrated intensity maps generally follow a log-normal distribution, with the cases that have {tau} Almost-Equal-To 1 best matching the PDF of the column density. We fit a two-dimensional variance-sonic Mach number relationship to our logarithmic PDFs of the form {sigma}{sub ln}{sup 2}{sub ({Sigma}/{Sigma}0}) = A x ln(1+b{sup 2}M{sub s}{sup 2}) and find that, for parameter b = 1/3, parameter A depends on the radiative transfer environment. We also explore the variance, skewness, and kurtosis of the linear PDFs finding that higher moments reflect both higher sonic Mach number and lower optical depth. Finally, we apply the Tsallis incremental PDF function and find that the fit parameters depend on both Mach numbers, but also are sensitive to the radiative transfer parameter space, with the {tau} Almost-Equal-To 1 case best fitting the incremental PDF of the true column density. We conclude that, for PDFs of low optical depth cases, part of the gas is always subthermally excited so that the spread of the line intensities exceeds the spread of the underlying column densities and hence the PDFs do not reflect the true column density. Similarly, PDFs of optically thick cases are dominated by the velocity dispersion and therefore do not represent the true column density PDF. Thus, in the case of molecules like carbon monoxide, the dynamic range of intensities, structures observed, and, consequently, the observable PDFs are less determined by turbulence and more often determined by radiative transfer effects.
Uncertainty of Monetary Valued Ecosystem Services – Value Transfer Functions for Global Mapping
Schmidt, Stefan; Manceur, Ameur M.; Seppelt, Ralf
2016-01-01
Growing demand of resources increases pressure on ecosystem services (ES) and biodiversity. Monetary valuation of ES is frequently seen as a decision-support tool by providing explicit values for unconsidered, non-market goods and services. Here we present global value transfer functions by using a meta-analytic framework for the synthesis of 194 case studies capturing 839 monetary values of ES. For 12 ES the variance of monetary values could be explained with a subset of 93 study- and site-specific variables by utilizing boosted regression trees. This provides the first global quantification of uncertainties and transferability of monetary valuations. Models explain from 18% (water provision) to 44% (food provision) of variance and provide statistically reliable extrapolations for 70% (water provision) to 91% (food provision) of the terrestrial earth surface. Although the application of different valuation methods is a source of uncertainty, we found evidence that assuming homogeneity of ecosystems is a major error in value transfer function models. Food provision is positively correlated with better life domains and variables indicating positive conditions for human well-being. Water provision and recreation service show that weak ownerships affect valuation of other common goods negatively (e.g. non-privately owned forests). Furthermore, we found support for the shifting baseline hypothesis in valuing climate regulation. Ecological conditions and societal vulnerability determine valuation of extreme event prevention. Valuation of habitat services is negatively correlated with indicators characterizing less favorable areas. Our analysis represents a stepping stone to establish a standardized integration of and reporting on uncertainties for reliable and valid benefit transfer as an important component for decision support. PMID:26938447
A transfer of self-discrimination response functions through equivalence relations
Dymond, Simon; Barnes, Dermot
1994-01-01
The present study tested the idea that human self-discrimination response functions may transfer through equivalence relations. Four subjects were trained in six symbolic matching-to-sample tasks (if see A1, choose B1; A1-C1, A2-B2, A2-C2, A3-B3, A3-C3) and were then tested for the formation of three equivalence relations (B1-C1, B2-C2, B3-C3). Two of the B stimuli (B1 and B2) were then used to train two different self-discrimination responses using either detailed instructions (Subjects 1 to 3) or minimal instructions (Subject 4) on two complex schedules of reinforcement (i.e., subjects were trained to pick the B1 stimulus if they had not emitted a response, and to pick the B2 stimulus if they had emitted one or more responses on the previous schedule). All 4 subjects showed the predicted transfer of self-discrimination response functions through equivalence relations (i.e., no response on the schedule, pick C1; one or more responses on the schedule, pick C2). Subjects also demonstrated this transfer when they were required to discriminate their schedule performance before exposure to the schedule (i.e., “what I intend to do”). Four control subjects were also used in the study. Two of these (Subjects 5 and 6) were not exposed to any form of matching-to-sample training and testing (nonequivalence controls). The 2 remaining subjects (7 and 8) were exposed to matching-to-sample training and testing that incorporated stimuli not used during the transfer test; C1 and C2 were replaced by N1 and N2 during the matching-to-sample training and testing, but C1 and C2 were used for the transfer tests (equivalence controls). All 4 subjects failed to produce the self-discrimination transfer performances observed with the experimental subjects. PMID:16812742
NASA Technical Reports Server (NTRS)
Onken, R.
1972-01-01
Two simple methods are outlined for evaluating the effect of transfer-function zeros on the system time response. The pole effects can also be evaluated. These methods are useful for simplified analysis or creating design criteria in terms of desirable regions of pole-zero locations. The type of transfer function studied is limited to those linear systems. Corresponding to ordinary longitudinal or lateral aircraft transfer functions, the denominator polynomial is of fourth order and the numerator of third order at most. With the longitudinal motion of the aircraft as an example, the methods are used in the evaluation of optimal regulator control with respect to a particular performance index structure.
Skjolding, L M; Winther-Nielsen, M; Baun, A
2014-12-01
The potential uptake and trophic transfer of nanoparticles (NP) is not well understood so far and for ZnO NP the data presented in peer-reviewed literature is limited. In this paper the influence of surface functionalization on the uptake and depuration behavior of ZnO NP, ZnO-OH NP and ZnO-octyl NP in D. magna was studied. Bulk ZnO particles (≤5 μm) and ZnCl2 were used as references for uptake of particles and dissolved species of Zn, respectively. Furthermore, the trophic transfer of ZnO NP and ZnO-octyl NP from daphnids (Daphnia magna) to zebra fish (Danio rerio) was studied. For ZnO NP and ZnO-octyl NP fast uptakes in D. magna were observed, whereas no measurable uptake took place for ZnO-OH NP. Lower body burden of ZnCl2 was found compared to both ZnO NP and ZnO-octyl. Contrary, the body burden for bulk ZnO was higher than that of ZnO NP but lower than ZnO-octyl. The higher body burdens found for functionalized ZnO-octyl NP than for non-functionalized ZnO NP showed that that the functionalization of the NP has a high influence on the uptake and depuration behavior. Though no mortality was observed, the resulting body burdens were 9.6 times (ZnO NP) and 47 times (ZnO-octyl NP) higher than toxic levels reported for zinc in D. magna. Consequently, the zinc recovered in the animals was not solely due to soluble zinc, but agglomerates/aggregates of ZnO NP or ZnO-octyl NP contributed to the body burdens. The trophic transfer study showed uptake of both ZnO NP and ZnO-octyl NP reaching more than tenfold higher levels than those obtained through aqueous exposure in other studies. This study contributes to expand the available data on uptake behavior of differently functionalized ZnO NP in D. magna and the potential trophic transfer from zooplankton to fish.
Katrangi, Eyad; D'Souza, Gerard; Boddapati, Sarathi V; Kulawiec, Mariola; Singh, Keshav K; Bigger, Brian; Weissig, Volkmar
2007-12-01
Mitochondrial DNA mutations are the direct cause of several physiological disorders and are also associated with the aging process. The modest progress made over the past two decades towards manipulating the mitochondrial genome and understanding its function within living mammalian cells means that cures for mitochondrial DNA mutations are still elusive. Here, we report that transformed mammalian cells internalize exogenous isolated mitochondria upon simple co-incubation. We first demonstrate the physical presence of internalized mitochondria within recipient cells using fluorescence microscopy. Second, we show that xenogenic transfer of murine mitochondria into human cells lacking functional mitochondria can functionally restore respiration in cells lacking mtDNA. Third, utilizing the natural competence of isolated mitochondria to take up linear DNA molecules, we demonstrate the feasibility of using cellular internalization of isolated exogenous mitochondria as a potential tool for studying mitochondrial genetics in living mammalian cells. PMID:18069915
Ziegelwanger, Harald; Majdak, Piotr; Kreuzer, Wolfgang
2015-01-01
Head-related transfer functions (HRTFs) can be numerically calculated by applying the boundary element method on the geometry of a listener’s head and pinnae. The calculation results are defined by geometrical, numerical, and acoustical parameters like the microphone used in acoustic measurements. The scope of this study was to estimate requirements on the size and position of the microphone model and on the discretization of the boundary geometry as triangular polygon mesh for accurate sound localization. The evaluation involved the analysis of localization errors predicted by a sagittal-plane localization model, the comparison of equivalent head radii estimated by a time-of-arrival model, and the analysis of actual localization errors obtained in a sound-localization experiment. While the average edge length (AEL) of the mesh had a negligible effect on localization performance in the lateral dimension, the localization performance in sagittal planes, however, degraded for larger AELs with the geometrical error as dominant factor. A microphone position at an arbitrary position at the entrance of the ear canal, a microphone size of 1 mm radius, and a mesh with 1 mm AEL yielded a localization performance similar to or better than observed with acoustically measured HRTFs. PMID:26233020
Sunder, Kaushik; Gan, Woon-Seng; Tan, Ee-Leng
2015-07-01
The veracity of virtual audio is degraded by the use of non-individualized head-related transfer functions (HRTFs) due to the introduction of front-back, elevation confusions, and timbral coloration. Hence, an accurate reproduction of spatial sound demands the use of individualized HRTFs. Measuring distance-dependent individualized HRTFs can be extremely tedious, since it requires precise measurements at several distances in the proximal region (<1 m) for each individual. This paper proposes a technique to model distance-dependent individualized HRTFs in the horizontal plane using "frontal projection headphones playback" that does not require individualized measurements. The frontal projection headphones [Sunder, Tan, and Gan (2013). J. Audio Eng. Soc. 61, 989-1000] project the sound directly onto the pinnae from the front, and thus inherently create listener's idiosyncratic pinna cues at the eardrum. Perceptual experiments were conducted to investigate cues (auditory parallax and interaural level differences) that aid distance perception in anechoic conditions. Interaural level differences were identified as the prominent cue for distance perception and a spherical head model was used to model these distance-dependent features. Detailed psychophysical experiments revealed that the modeled distance-dependent individualized HRTFs exhibited localization performance close to the measured distance-dependent individualized HRTFs for all subjects.
Sunder, Kaushik; Gan, Woon-Seng; Tan, Ee-Leng
2015-07-01
The veracity of virtual audio is degraded by the use of non-individualized head-related transfer functions (HRTFs) due to the introduction of front-back, elevation confusions, and timbral coloration. Hence, an accurate reproduction of spatial sound demands the use of individualized HRTFs. Measuring distance-dependent individualized HRTFs can be extremely tedious, since it requires precise measurements at several distances in the proximal region (<1 m) for each individual. This paper proposes a technique to model distance-dependent individualized HRTFs in the horizontal plane using "frontal projection headphones playback" that does not require individualized measurements. The frontal projection headphones [Sunder, Tan, and Gan (2013). J. Audio Eng. Soc. 61, 989-1000] project the sound directly onto the pinnae from the front, and thus inherently create listener's idiosyncratic pinna cues at the eardrum. Perceptual experiments were conducted to investigate cues (auditory parallax and interaural level differences) that aid distance perception in anechoic conditions. Interaural level differences were identified as the prominent cue for distance perception and a spherical head model was used to model these distance-dependent features. Detailed psychophysical experiments revealed that the modeled distance-dependent individualized HRTFs exhibited localization performance close to the measured distance-dependent individualized HRTFs for all subjects. PMID:26233016
[Effect of spectrum distortion on modulation transfer function in imaging fiber-optic spectrometer].
Cheng, Xin; Wang, Jing; Zhang, Bao; Hong, Yong-Feng
2011-10-01
Imaging fiber bundles were introduced to dispersion imaging spectrometer and substituted for slit, connecting the telescope and spectrometer to yield the imaging fiber-optic spectrometer. It is a double sampling system, the misalignment between image of optical fiber and detector pixel has arisen because of the spectrum distortion of spectrometer, which affected the second sampling process, and the modulation transfer function (MTF) therefore degraded. Optical transfer function of sampling process was derived from line spread function. The effect of spectrum distortion on system MTF was analyzed, and a model evaluating the MTF of imaging fiber-optic spectrometer was developed. Compared to the computation model of MTF of slit imaging spectrometer, a MTF item of sampling by optical fiber and a MTF item of misalignment arising from spectrum distortion were added in this model. Employing this, the MTF of an airborne imaging fiber-optic spectrometer for visible near infrared band was evaluated. The approach ro deriving and developing the MTF model has a reference signification for the computation of MTF of double sampling system, which can direct the design of imaging fiber-optic spectrometer also.
Change of middle ear transfer function in otitis media with effusion model of guinea pigs.
Dai, Chenkai; Gan, Rong Z
2008-09-01
Otitis media with effusion (OME) is an inflammatory disease of the middle ear that causes most cases of conductive hearing loss observed in the pediatric population. With the long term goal of evaluating middle ear function with OME, the aim of the current study was to create an animal model of OME in which middle ear transfer functions could be measured. In guinea pigs, OME was created by injecting lipopolysaccharide (LPS) into the middle ear. Evidence of OME was assessed by otoscopy, tympanometry, histology, and by measuring the volume of fluid in the middle ear. Vibrations of the umbo and round window membrane were measured with a laser Doppler vibrometer at frequency range of 200-40 kHz in three groups of 3, 7, and 14 days after injection of LPS. Changes in displacement of the umbo and round window membrane in response to 80 dB SPL sound in the ear canal were measured across the frequency range. Displacement of both the umbo and round window membrane was reduced at all time points following LPS injections. Further, the change of the displacement transmission ratio (DTR) from the tympanic membrane to the round window occurred mainly in chronic (e.g. 14 days post-LPS injection) OME ears. This study provides useful data for analyzing the change of middle ear transfer function in OME ears. PMID:18586077
Thermodynamic constraints on effective energy and mass transfer and catchment function
NASA Astrophysics Data System (ADS)
Rasmussen, C.
2012-03-01
Understanding how water, energy and carbon are partitioned to primary production and effective precipitation is central to quantifying the limits on critical zone evolution. Recent work suggests quantifying energetic transfers to the critical zone in the form of effective precipitation and primary production provides a first order approximation of critical zone process and structural organization. However, explicit linkage of this effective energy and mass transfer (EEMT; W m-2) to critical zone state variables and well defined physical limits remains to be developed. The objective of this work was to place EEMT in the context of thermodynamic state variables of temperature and vapor pressure deficit, with explicit definition of EEMT physical limits using a global climate dataset. The relation of EEMT to empirical measures of catchment function was also examined using a subset of the Model Parameter Estimation Experiment (MOPEX) catchments. The data demonstrated three physical limits for EEMT: (i) an absolute vapor pressure deficit threshold of 1200 Pa above which EEMT is zero; (ii) a temperature dependent vapor pressure deficit limit following the saturated vapor pressure function up to a temperature of 292 K; and (iii) a minimum precipitation threshold required from EEMT production at temperatures greater than 292 K. Within these limits, EEMT scales directly with precipitation, with increasing conversion of the precipitation to EEMT with increasing temperature. The state-space framework derived here presents a simplified framework with well-defined physical limits that has the potential for directly integrating regional to pedon scale heterogeneity in effective energy and mass transfer relative to critical zone structure and function within a common thermodynamic framework.
Thermodynamic constraints on effective energy and mass transfer and catchment function
NASA Astrophysics Data System (ADS)
Rasmussen, C.
2011-07-01
Understanding how water, energy and carbon are partitioned to primary production and effective precipitation is central to quantifying the limits on critical zone evolution. Recent work suggests quantifying energetic transfers to the critical zone in the form of effective precipitation and primary production provides a first order approximation of critical zone process and structural organization. However, explicit linkage of this effective energy and mass transfer (EEMT; W m-2) to critical zone state variables and well defined physical limits remains to be developed. The objective of this work was to place EEMT in the context of thermodynamic state variables of temperature and vapor pressure deficit, with explicit definition of EEMT physical limits using a global climate dataset. The relation of EEMT to empirical measures of catchment function was also examined using a subset of the Model Parameter Estimation Experiment (MOPEX) catchments. The data demonstrated three physical limits for EEMT: (i) an absolute vapor pressure deficit threshold of 1200 Pa above which EEMT is zero; (ii) a temperature dependent vapor pressure deficit limit following the saturated vapor pressure function up to a temperature of 292 K; and (iii) a minimum precipitation threshold required from EEMT production at temperatures greater than 292 K. Within these limits, EEMT scales directly with precipitation, with increasing conversion of the precipitation to EEMT with increasing temperature. The state-space framework derived here presents a simplified framework with well-defined physical limits that has the potential for directly integrating regional to pedon scale heterogeneity in effective energy and mass transfer relative to critical zone structure and function within a common thermodynamic framework.
Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura
2015-08-11
The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. 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 with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.
Comparison of beam-position-transfer functions using circular beam-position monitors
Gilpatrick, J.D.
1997-10-01
A cylindrical beam-position monitor (BPM) used in many accelerator facilities has four electrodes on which beam-image currents induce bunched-beam signals. These probe-electrode signals are geometrically configured to provide beam-position information about two orthogonal axes. An electronic processor performs a mathematical transfer function (TF) on these BPM-electrode signals to produce output signals whose time-varying amplitude is proportional to the beam`s vertical and horizontal position. This paper will compare various beam-position TFs using both pencil beams and will further discuss how diffuse beams interact with some of these TFs.
Birch, Gabriel Carisle; Griffin, John Clark
2015-01-01
The horizontal television lines (HTVL) metric has been the primary quantity used by division 6000 related to camera resolution for high consequence security systems. This document shows HTVL measurements are fundamen- tally insufficient as a metric to determine camera resolution, and propose a quantitative, standards based methodology by measuring the camera system modulation transfer function (MTF), the most common and accepted metric of res- olution in the optical science community. Because HTVL calculations are easily misinterpreted or poorly defined, we present several scenarios in which HTVL is frequently reported, and discuss their problems. The MTF metric is discussed, and scenarios are presented with calculations showing the application of such a metric.
Magnain, Caroline; Elias, Mady; Frigerio, Jean-Marc
2008-07-01
In a previous article [J. Opt. Soc. Am. A 24, 2196 (2007)] we have modeled skin color using the radiative transfer equation, solved by the auxiliary function method. Three main parameters have been determined as being predominant in the diversity of skin color: the concentrations of melanosomes and of red blood cells and the oxygen saturation of blood. From the reflectance spectrum measured on real Caucasian skin, these parameters are now evaluated by minimizing the standard deviation on the adjusted wavelength range between the experimental spectrum and simulated spectra gathered in a database.
Ground Test of the Urine Processing Assembly for Accelerations and Transfer Functions
NASA Technical Reports Server (NTRS)
Houston, Janice; Almond, Deborah F. (Technical Monitor)
2001-01-01
This viewgraph presentation gives an overview of the ground test of the urine processing assembly for accelerations and transfer functions. Details are given on the test setup, test data, data analysis, analytical results, and microgravity assessment. The conclusions of the tests include the following: (1) the single input/multiple output method is useful if the data is acquired by tri-axial accelerometers and inputs can be considered uncorrelated; (2) tying coherence with the matrix yields higher confidence in results; (3) the WRS#2 rack ORUs need to be isolated; (4) and future work includes a plan for characterizing performance of isolation materials.
Global distribution of gas hydrates in marine sediments: application of a general transfer function
NASA Astrophysics Data System (ADS)
Piñero, Elena; Marquardt, Mathias; Hensen, Christian; Haeckel, Matthias
2010-05-01
Many of the recently published estimates of the global inventory of marine methane hydrate are based on simplified diagenetic models, which were run for each grid point of a homogeneous grid of the seafloor. Since this is a very complex and time-consuming method, which may also be limited by data availability, we invented a simple transfer function, which calculates the amount of gas hydrates based on easily accessible data. The transfer function was derived from a large set of systematic runs of a numerical diagenetic model covering the wide range of environmental conditions that are typically met along the continental margins. An exhaustive parameter analysis established that the formation of gas hydrates from biogenic methane production can be sufficiently described by the total organic carbon accumulation rate and the thickness of the gas hydrate stability zone (Marquardt et al., submitted). The resulting transfer function was applied to available global datasets of 1x1-degree resolution in order to derive global estimates of the distribution and total inventory of gas hydrates. The global grids include the seafloor bathymetry, TOC input (Seiter et al., 2004), bottom water temperature, and geothermal gradient estimated from heat flow (Hamza et al., 2008). The global amount of gas hydrate is predicted to be about 2400 Gt of C and is in good agreement with previously published results (e.g. Archer et al., 2009). So far, our calculations do not consider any thermogenic methane, but only microbially produced and hence, represent only a minimum estimate of the gas hydrate budget. References: Archer et al., 2009. Ocean methane hydrates as a slow tipping point in the global carbon cycle. PNAS 106 (49), 20596-20601. Hamza et al., 2008. Spherical harmonic analysis of the Earth's conductive heat flow. Intern. J. Earth Sci., 97, 205-226 Marquardt et al. Submitted. Estimation of gas hydrate inventories in marine sediments: derivation and testing of a transfer function
Site Transfer Functions of Three-Component Ground Motion in Western Turkey
NASA Astrophysics Data System (ADS)
Ozgur Kurtulmus, Tevfik; Akyol, Nihal; Camyildiz, Murat; Gungor, Talip
2015-04-01
Because of high seismicity accommodating crustal deformation and deep graben structures, on which have, urbanized and industrialized large cities in western Turkey, the importance of site-specific seismic hazard assessments becomes more crucial. Characterizing source, site and path effects is important for both assessing the seismic hazard in a specific region and generation of the building codes/or renewing previous ones. In this study, we evaluated three-component recordings for micro- and moderate-size earthquakes with local magnitudes ranging between 2.0 and 5.6. This dataset is used for site transfer function estimations, utilizing two different spectral ratio approaches 'Standard Spectral Ratio-(SSR)' and 'Horizontal to Vertical Spectral Ratio-(HVSR)' and a 'Generalized Inversion Technique-(GIT)' to highlight site-specific seismic hazard potential of deep basin structures of the region. Obtained transfer functions revealed that the sites located near the basin edges are characterized by broader HVSR curves. Broad HVSR peaks could be attributed to the complexity of wave propagation related to significant 2D/3D velocity variations at the sediment-bedrock interface near the basin edges. Comparison of HVSR and SSR estimates for the sites located on the grabens showed that SSR estimates give larger values at lower frequencies which could be attributed to lateral variations in regional velocity and attenuation values caused by basin geometry and edge effects. However, large amplitude values of vertical component GIT site transfer functions were observed at varying frequency ranges for some of the stations. These results imply that vertical component of ground motion is not amplification free. Contamination of HVSR site transfer function estimates at different frequency bands could be related to complexities in the wave field caused by deep or shallow heterogeneities in the region such as differences in the basin geometries, fracturing and fluid saturation along
Full-Scale Turbofan-Engine Turbine-Transfer Function Determination Using Three Internal Sensors
NASA Technical Reports Server (NTRS)
Hultgren, Lennart S.
2012-01-01
Noise-source separation techniques, using three engine-internal sensors, are applied to existing static-engine test data to determine the turbine transfer function for the currently subdominant combustion noise. The results are used to assess the combustion-noise prediction capability of the Aircraft Noise Prediction Program (ANOPP) and an improvement to the combustion-noise module GECOR is suggested. The work was carried out in response to the NASA Fundamental Aeronautics Subsonic Fixed Wing Program s Reduced-Perceived-Noise Technical Challenge.
Theory of lidar method for measurement of the modulation transfer function of water layers.
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. PMID:23314635
Study on utility of an approximated transfer function of dynamically tuned dry gyro
NASA Astrophysics Data System (ADS)
Shingu, H.; Otsuki, M.; Hayano, T.
The use of a dry gyro in analog rebalance loops is described and a method to improve the static and dynamic characteristics is presented. The transfer function is derived by transforming a generalized equation into the approximated form based on the design specifications of the mechanical parts. This approximation is proved to be reasonable by the result that the differences between the numerical solutions of a generalized equation and those of an approximated equation are less than 1.0%, and their mean values are less than 0.003%. Noninteracting control is analyzed and the stability conditions are investigated. A fundamental design conception for rebalance loops was established.
Line-ratio based ring artifact correction method using transfer function
NASA Astrophysics Data System (ADS)
Oh, Daejoong; Hwang, Dosik; Kim, Younguk
2016-03-01
Computed tomography (CT) has been used for medical purposes. However there are many artifacts at CT images and that makes distorted image. Ring artifact is caused by non-uniform sensitivity of detectors and makes ring shape artifact. Line-ratio method was proposed to solve the problem however there are some problem at specific case. Therefore we propose advanced method to correct ring artifact using transfer function. As a result, ring artifacts can be removed at more global cases. Simulation data shows the proposed method outperforms the conventional line-ratio method.
NASA Astrophysics Data System (ADS)
Wu, Yongwei; Xiong, Lei; Qin, Xiaokang; Wang, Zhengyue; Ding, Bei; Ren, Huan; Pi, Xiaolong
2015-07-01
In this work, polyacrylonitrile (PAN)-based carbon fibers (CF) were chemically modified with poly (glycidyl methacrylate) (PGMA) via atom transfer radical polymerization (ATRP) to improve the interaction between the CF and polymer matrix. The FT-IR, TGA, and XPS were used to determine the chemical structure of the resulting products and the quantities of PGMA chains grafted from the CF surface. The experimental results confirm that the CF surface was functionalized and glycidyl methacrylate was graft-polymerized onto the CF, and the grafting content of polymer could reach 10.2%.
Application of Model-Assisted Pod Using a Transfer Function Approach
NASA Astrophysics Data System (ADS)
Harding, C. A.; Hugo, G. R.; Bowles, S. J.
2009-03-01
A transfer function approach to model-assisted probability of detection (POD) has been applied to the detection of fatigue cracks at fastener holes. The model uses data obtained from field trials and laboratory experiments and takes into account the effects of structural geometry, the natural variability in fatigue cracks and human factors in the inspection process. A fully representative POD trial was not feasible for this inspection procedure, and so this application provides an important real-world context for the development of model-assisted POD.
Dack, Charlotte; Reed, Phil; McHugh, Louise
2010-11-01
The aim of the four present experiments was to explore how different schedules of reinforcement influence schedule-induced behavior, their impact on evaluative ratings given to conditioned stimuli associated with each schedule through evaluative conditioning, and the transfer of these evaluations through derived stimulus networks. Experiment 1 compared two contrasting response reinforcement rules (variable ratio [VR], variable interval [VI]). Experiment 2 varied the response to reinforcement rule between two schedules but equated the outcome to response rate (differential reinforcement of high rate [DRH] vs. VR). Experiment 3 compared molar and molecular aspects of contingencies of reinforcement (tandem VIVR vs. tandem VRVI). Finally, Experiment 4 employed schedules that induced low rates of responding to determine whether, under these circumstances, responses were more sensitive to the molecular aspects of a schedule (differential reinforcement of low rate [DRL] vs. VI). The findings suggest that the transfer of evaluative functions is determined mainly by differences in response rate between the schedules and the molar aspects of the schedules. However, when neither schedule was based on a strong response reinforcement rule, the transfer of evaluative judgments came under the control of the molecular aspects of the schedule.
A Functional Bacterium-to-Plant DNA Transfer Machinery of Rhizobium etli
Lacroix, Benoît; Citovsky, Vitaly
2016-01-01
Different strains and species of the soil phytopathogen Agrobacterium possess the ability to transfer and integrate a segment of DNA (T-DNA) into the genome of their eukaryotic hosts, which is mainly mediated by a set of virulence (vir) genes located on the bacterial Ti-plasmid that also contains the T-DNA. To date, Agrobacterium is considered to be unique in its capacity to mediate genetic transformation of eukaryotes. However, close homologs of the vir genes are encoded by the p42a plasmid of Rhizobium etli; this microorganism is related to Agrobacterium, but known only as a symbiotic bacterium that forms nitrogen-fixing nodules in several species of beans. Here, we show that R. etli can mediate functional DNA transfer and stable genetic transformation of plant cells, when provided with a plasmid containing a T-DNA segment. Thus, R. etli represents another bacterial species, besides Agrobacterium, that encodes a protein machinery for DNA transfer to eukaryotic cells and their subsequent genetic modification. PMID:26968003
Ishikawa, Fumihiro; Miyamoto, Kengo; Konno, Sho; Kasai, Shota; Kakeya, Hideaki
2015-12-18
A significant gap exists between protein engineering and enzymes used for the biosynthesis of natural products, largely because there is a paucity of strategies that rapidly detect active-site phenotypes of the enzymes with desired activities. Herein, we describe a proof-of-concept study of an enzyme-linked immunosorbent assay (ELISA) system for the adenylation (A) domains in nonribosomal peptide synthetases (NRPSs) using a combination of active site-directed probes coupled to a 5'-O-N-(aminoacyl)sulfamoyladenosine scaffold with a biotin functionality that immobilizes probe molecules onto a streptavidin-coated solid support. The recombinant NRPSs have a C-terminal His-tag motif that is targeted by an anti-6×His mouse antibody as the primary antibody and a horseradish peroxidase-linked goat antimouse antibody as the secondary antibody. These probes can selectively capture the cognate A domains by ligand-directed targeting. In addition, the ELISA technique detected A domains in the crude cell-free homogenates from the Escherichia coli expression systems. When coupled with a chromogenic substrate, the antibody-based ELISA technique can visualize probe-protein binding interactions, which provides accurate readouts of the A-domain functions in NRPS enzymes. To assess the ELISA-based engineering of the A domains of NRPSs, we reprogramed 2,3-dihydroxybenzoic acid (DHB)-activating enzyme EntE toward salicylic acid (Sal)-activating enzymes and investigated a correlation between binding properties for probe molecules and enzyme catalysts. We generated a mutant of EntE that displayed negligible loss in the kcat/Km value with the noncognate substrate Sal and a corresponding 48-fold decrease in the kcat/Km value with the cognate substrate DHB. The resulting 26-fold switch in substrate specificity was achieved by the replacement of a Ser residue in the active site of EntE with a Cys toward the nonribosomal codes of Sal-activating enzymes. Bringing a laboratory ELISA technique
Yashchuk, Valeriy V.; McKinney, Wayne R.; Takacs, Peter Z.
2008-05-19
We suggest and describe the use of a binary pseudo-random grating as a standard test surface for calibration of the modulation transfer function of microscopes. Results from calibration of a MicromapTM-570 interferometric microscope are presented.
Functional and Evolutionary Characterization of a Gene Transfer Agent’s Multilocus “Genome”
Hynes, Alexander P.; Shakya, Migun; Mercer, Ryan G.; Grüll, Marc P.; Bown, Luke; Davidson, Fraser; Steffen, Ekaterina; Matchem, Heidi; Peach, Mandy E.; Berger, Tim; Grebe, Katherine; Zhaxybayeva, Olga; Lang, Andrew S.
2016-01-01
Gene transfer agents (GTAs) are phage-like particles that can package and transfer a random piece of the producing cell’s genome, but are unable to transfer all the genes required for their own production. As such, GTAs represent an evolutionary conundrum: are they selfish genetic elements propagating through an unknown mechanism, defective viruses, or viral structures “repurposed” by cells for gene exchange, as their name implies? In Rhodobacter capsulatus, production of the R. capsulatus GTA (RcGTA) particles is associated with a cluster of genes resembling a small prophage. Utilizing transcriptomic, genetic and biochemical approaches, we report that the RcGTA “genome” consists of at least 24 genes distributed across five distinct loci. We demonstrate that, of these additional loci, two are involved in cell recognition and binding and one in the production and maturation of RcGTA particles. The five RcGTA “genome” loci are widespread within Rhodobacterales, but not all loci have the same evolutionary histories. Specifically, two of the loci have been subject to frequent, probably virus-mediated, gene transfer events. We argue that it is unlikely that RcGTA is a selfish genetic element. Instead, our findings are compatible with the scenario that RcGTA is a virus-derived element maintained by the producing organism due to a selective advantage of within-population gene exchange. The modularity of the RcGTA “genome” is presumably a result of selection on the host organism to retain GTA functionality. PMID:27343288
NASA Astrophysics Data System (ADS)
Vuelban, E. M.; Dekker, P. R.
2013-09-01
In this work, a model based on the transfer function approach of the propagation of radiation through several apertures and optical components is presented. This transfer function formalism offers the possibility of studying various measurement scenarios involving different source geometries, distances, and varying complexities of the optics of the radiation thermometer. The impact of different types of source geometries, and the variation of source-thermometer distance are investigated using the above model. Simulation results and experimental validation are presented.
Santos, Elton J G; Wang, W L
2016-09-21
Understanding the microscopic mechanisms of electronic excitation in organic photovoltaic cells is a challenging problem in the design of efficient devices capable of performing sunlight harvesting. Here we develop and apply an ab initio approach based on time-dependent density functional theory and Ehrenfest dynamics to investigate photoinduced charge transfer in small organic molecules. Our calculations include mixed quantum-classical dynamics with ions moving classically and electrons quantum mechanically, where no experimental external parameter other than the material geometry is required. We show that the behavior of photocarriers in zinc phthalocyanine (ZnPc) and C60 systems, an effective prototype system for organic solar cells, is sensitive to the atomic orientation of the donor and the acceptor units as well as the functionalization of covalent molecules at the interface. In particular, configurations with the ZnPc molecules facing on C60 facilitate charge transfer between substrate and molecules that occurs within 200 fs. In contrast, configurations where ZnPc is tilted above C60 present extremely low carrier injection efficiency even at longer times as an effect of the larger interfacial potential level offset and higher energetic barrier between the donor and acceptor molecules. An enhancement of charge injection into C60 at shorter times is observed as binding groups connect ZnPc and C60 in a dyad system. Our results demonstrate a promising way of designing and controlling photoinduced charge transfer on the atomic level in organic devices that would lead to efficient carrier separation and maximize device performance. PMID:27314747
Santos, Elton J G; Wang, W L
2016-09-21
Understanding the microscopic mechanisms of electronic excitation in organic photovoltaic cells is a challenging problem in the design of efficient devices capable of performing sunlight harvesting. Here we develop and apply an ab initio approach based on time-dependent density functional theory and Ehrenfest dynamics to investigate photoinduced charge transfer in small organic molecules. Our calculations include mixed quantum-classical dynamics with ions moving classically and electrons quantum mechanically, where no experimental external parameter other than the material geometry is required. We show that the behavior of photocarriers in zinc phthalocyanine (ZnPc) and C60 systems, an effective prototype system for organic solar cells, is sensitive to the atomic orientation of the donor and the acceptor units as well as the functionalization of covalent molecules at the interface. In particular, configurations with the ZnPc molecules facing on C60 facilitate charge transfer between substrate and molecules that occurs within 200 fs. In contrast, configurations where ZnPc is tilted above C60 present extremely low carrier injection efficiency even at longer times as an effect of the larger interfacial potential level offset and higher energetic barrier between the donor and acceptor molecules. An enhancement of charge injection into C60 at shorter times is observed as binding groups connect ZnPc and C60 in a dyad system. Our results demonstrate a promising way of designing and controlling photoinduced charge transfer on the atomic level in organic devices that would lead to efficient carrier separation and maximize device performance.
Polaske, Nathan W.; Lin, Hsiao-Chu; Tang, Anna; Mayukh, Mayank; Oquendo, Luis E.; Green, John; Ratcliff, Erin L.; Armstrong, Neal R.; Saavedra, S. Scott; McGrath, Dominic V.
2011-12-20
Metalated and free-base A₃B-type asymmetric phthalocyanines (Pcs) bearing, in the asymmetric quadrant, a flexible alkyl linker of varying chain lengths terminating in a phosphonic acid (PA) group have been synthesized. Two parallel series of asymmetric Pc derivatives bearing aryloxy and arylthio substituents are reported, and their synthesis and characterization through NMR, combustion analysis, and MALDI-MS are described. We also demonstrate the modification of indium tin oxide (ITO) substrates using the PA functionalized asymmetric Pc derivatives and monitoring their electrochemistry. The PA functionalized asymmetric Pcs were anchored to the ITO surface through chemisorption and their electrochemical properties characterized using cyclic voltammetry to investigate the effects of PA structure on the thermodynamics and kinetics of charge transfer. Ionization energies of the modified ITO surfaces were measured using ultraviolet photoemission spectroscopy.
NASA Technical Reports Server (NTRS)
Mark, W. D.
1982-01-01
A transfer function method for predicting the dynamic responses of gear systems with more than one gear mesh is developed and applied to the NASA Lewis four-square gear fatigue test apparatus. Methods for computing bearing-support force spectra and temporal histories of the total force transmitted by a gear mesh, the force transmitted by a single pair of teeth, and the maximum root stress in a single tooth are developed. Dynamic effects arising from other gear meshes in the system are included. A profile modification design method to minimize the vibration excitation arising from a pair of meshing gears is reviewed and extended. Families of tooth loading functions required for such designs are developed and examined for potential excitation of individual tooth vibrations. The profile modification design method is applied to a pair of test gears.
Pendás, A Martín; Francisco, E; Blanco, M A
2007-01-01
We analyze the response of a quantum group within a molecule to charge transfer by using the interacting quantum atoms approach (IQA), an energy partitioning scheme within the quantum theory of atoms in molecules (QTAM). It is shown that this response lies at the core of the concept of the functional group. The manipulation of fractional electron populations is carried out by using distribution functions for the electron number within the quantum basins. Several test systems are studied to show that similar chemical potential groups are characterized by similar energetic behavior upon interaction with other groups. The origin of the empirical additivity rules for group energies in simple hydrocarbons is also investigated. It turns out to rest on the independent saturation of both the self-energies and the interaction energies of the groups as the size of the chain increases. We also show that our results are compatible with the standard group energies of the QTAM.
Tunable fluorescence in chromophore-functionalized nanodiamond induced by energy transfer.
Maitra, Urmimala; Jain, Ankit; George, Subi J; Rao, C N R
2011-08-01
Hybrid materials comprising diamond nanoparticles (ND) and oligo(phenylenevinylenes) (OPVs) have been synthesized by the covalent linking of acid-functionalized ND and OPV-amine. Chromophore-functionalized ND particles with long alkyl and π-conjugated groups are readily dispersed in various organic solvents without any precipitation after several hours. A careful study of the properties of the hybrid materials revealed an aggregation-induced energy transfer from the blue fluorescent nanodiamonds to green emitting OPVs. At very low concentrations the hybrid emits in the blue region, but as the concentration is increased a gradual transition from blue to green emission occurs. Competitive processes such as aggregation-induced enhanced emission and self-absorption have been ruled out and a molecular picture of the phenomenon is proposed. This strategy can open a plethora of new avenues for fluorescent nanodiamonds in optoelectronics and light harvesting apart from bio-imaging.
Oberhofer, Harald; Blumberger, Jochen
2009-08-14
We present a plane-wave basis set implementation of charge constrained density functional molecular dynamics (CDFT-MD) for simulation of electron transfer reactions in condensed phase systems. Following the earlier work of Wu and Van Voorhis [Phys. Rev. A 72, 024502 (2005)], the density functional is minimized under the constraint that the charge difference between donor and acceptor is equal to a given value. The classical ion dynamics is propagated on the Born-Oppenheimer surface of the charge constrained state. We investigate the dependence of the constrained energy and of the energy gap on the definition of the charge and present expressions for the constraint forces. The method is applied to the Ru{sup 2+}-Ru{sup 3+} electron self-exchange reaction in aqueous solution. Sampling the vertical energy gap along CDFT-MD trajectories and correcting for finite size effects, a reorganization free energy of 1.6 eV is obtained. This is 0.1-0.2 eV lower than a previous estimate based on a continuum model for solvation. The smaller value for the reorganization free energy can be explained by the fact that the Ru-O distances of the divalent and trivalent Ru hexahydrates are predicted to be more similar in the electron transfer complex than for the separated aqua ions.
NASA Astrophysics Data System (ADS)
Oberhofer, Harald; Blumberger, Jochen
2009-08-01
We present a plane-wave basis set implementation of charge constrained density functional molecular dynamics (CDFT-MD) for simulation of electron transfer reactions in condensed phase systems. Following the earlier work of Wu and Van Voorhis [Phys. Rev. A 72, 024502 (2005)], the density functional is minimized under the constraint that the charge difference between donor and acceptor is equal to a given value. The classical ion dynamics is propagated on the Born-Oppenheimer surface of the charge constrained state. We investigate the dependence of the constrained energy and of the energy gap on the definition of the charge and present expressions for the constraint forces. The method is applied to the Ru2+-Ru3+ electron self-exchange reaction in aqueous solution. Sampling the vertical energy gap along CDFT-MD trajectories and correcting for finite size effects, a reorganization free energy of 1.6 eV is obtained. This is 0.1-0.2 eV lower than a previous estimate based on a continuum model for solvation. The smaller value for the reorganization free energy can be explained by the fact that the Ru-O distances of the divalent and trivalent Ru hexahydrates are predicted to be more similar in the electron transfer complex than for the separated aqua ions.
A Discrete Probability Function Method for the Equation of Radiative Transfer
NASA Technical Reports Server (NTRS)
Sivathanu, Y. R.; Gore, J. P.
1993-01-01
A discrete probability function (DPF) method for the equation of radiative transfer is derived. The DPF is defined as the integral of the probability density function (PDF) over a discrete interval. The derivation allows the evaluation of the PDF of intensities leaving desired radiation paths including turbulence-radiation interactions without the use of computer intensive stochastic methods. The DPF method has a distinct advantage over conventional PDF methods since the creation of a partial differential equation from the equation of transfer is avoided. Further, convergence of all moments of intensity is guaranteed at the basic level of simulation unlike the stochastic method where the number of realizations for convergence of higher order moments increases rapidly. The DPF method is described for a representative path with approximately integral-length scale-sized spatial discretization. The results show good agreement with measurements in a propylene/air flame except for the effects of intermittency resulting from highly correlated realizations. The method can be extended to the treatment of spatial correlations as described in the Appendix. However, information regarding spatial correlations in turbulent flames is needed prior to the execution of this extension.
Functional auditory hair cells produced in the mammalian cochlea by in utero gene transfer
Gubbels, Samuel. P.; Woessner, David W.; Mitchell, John C.; Ricci, Anthony J.; Brigande, John V.
2010-01-01
Sensory hair cells in the mammalian cochlea convert mechanical stimuli into electrical impulses that subserve audition1,2. Loss of hair cells and their innervating neurons is the most frequent cause of hearing impairment3. Atonal homolog 1 (Atoh1, also known as Math1) is a basic helix-loop-helix transcription factor required for hair cell development4-6 and its misexpression in vitro7,8 and in vivo9,10 generates hair-cell-like cells. Atoh1-based gene therapy to ameliorate auditory10 and vestibular11 dysfunction has been proposed. However, the biophysical properties of putative hair cells induced by Atoh1 misexpression have not been characterized. Here we show that in utero gene transfer of Atoh1 produces functional supernumerary hair cells in the mouse cochlea. The induced hair cells display stereociliary bundles, attract neuronal processes, and express the ribbon synapse marker C-terminal binding protein 2 (Ctbp2)12,13. Moreover, the hair cells are capable of mechanoelectrical transduction1,2 and display basolateral conductances with age-appropriate specializations. Our results demonstrate that manipulation of cell fate by transcription factor misexpression produces functional sensory cells in the postnatal mammalian cochlea. We anticipate that our in utero gene transfer paradigm will enable the design and validation of gene therapies to ameliorate hearing loss in mouse models of human deafness14,15. PMID:18754012
Pressure transfer function of a JT15D nozzle due to acoustic and convected entropy fluctuations
NASA Astrophysics Data System (ADS)
Miles, J. H.
An acoustic transmission matrix analysis of sound propagation in a variable area duct with and without flow is extended to include convected entropy fluctuations. The boundary conditions used in the analysis are a transfer function relating entropy and pressure at the nozzle inlet and the nozzle exit impedance. The nozzle pressure transfer function calculated is compared with JT15D turbofan engine nozzle data. The one dimensional theory for sound propagation in a variable area nozzle with flow but without convected entropy is good at the low engine speeds where the nozzle exit Mach number is low (M=0.2) and the duct exit impedance model is good. The effect of convected entropy appears to be so negligible that it is obscured by the inaccuracy of the nozzle exit impedance model, the lack of information on the magnitude of the convected entropy and its phase relationship with the pressure, and the scatter in the data. An improved duct exit impedance model is required at the higher engine speeds where the nozzle exit Mach number is high (M=0.56) and at low frequencies (below 120 Hz).
Pressure transfer function of a JT15D nozzle due to acoustic and convected entropy fluctuations
NASA Technical Reports Server (NTRS)
Miles, J. H.
1982-01-01
An acoustic transmission matrix analysis of sound propagation in a variable area duct with and without flow is extended to include convected entropy fluctuations. The boundary conditions used in the analysis are a transfer function relating entropy and pressure at the nozzle inlet and the nozzle exit impedance. The nozzle pressure transfer function calculated is compared with JT15D turbofan engine nozzle data. The one dimensional theory for sound propagation in a variable area nozzle with flow but without convected entropy is good at the low engine speeds where the nozzle exit Mach number is low (M=0.2) and the duct exit impedance model is good. The effect of convected entropy appears to be so negligible that it is obscured by the inaccuracy of the nozzle exit impedance model, the lack of information on the magnitude of the convected entropy and its phase relationship with the pressure, and the scatter in the data. An improved duct exit impedance model is required at the higher engine speeds where the nozzle exit Mach number is high (M=0.56) and at low frequencies (below 120 Hz).
Furihata, Kenji; Yamashita, Masato
2013-02-01
While occupational injury is associated with numerous individual and work-related risk factors, including long working hours and short sleep duration, the complex mechanisms causing such injuries are not yet fully understood. The relationship between the infrasound pressures of the tympanic membrane [ear canal pressure (ECP)], detected using an earplug embedded with a low-frequency microphone, and the carotid artery [carotid artery pressure (CAP)], detected using a stethoscope fitted with the same microphone, can be quantitatively characterized using systems analysis. The transfer functions of 40 normal workers (19 to 57 years old) were characterized, involving the analysis of 446 data points. The ECP waveform exhibits a pulsatile character with a slow respiratory component, which is superimposed on a biphasic recording that is synchronous with the cardiac cycle. The respiratory ECP waveform correlates with the instantaneous heart rate. The results also revealed that various fatigue-related risk factors may affect the mean magnitudes of the measured pressures and the delay transfer functions between CAP and ECP in the study population; these factors include systolic blood pressure, salivary amylase activity, age, sleep duration, postural changes, chronic fatigue, and pulse rate. PMID:23363133
Electrical Transfer Function and Poling Mechanisms for Nonlinear Optical Polymer Modulators
NASA Technical Reports Server (NTRS)
Watson, Michael Dale
2004-01-01
Electro-Optic Polymers hold great promise in increased electro-optic coefficients as compared to their inorganic corollaries. Many researchers have focused on quantum chemistry to describe how the dipoles respond to temperature and electric fields. Much work has also been done for single layer films to confirm these results. For optical applications, waveguide structures are utilized to guide the optical waves in 3 layer stacks. Electrode poling is the only practical poling method for these structures. This research takes an electrical engineering approach to develop poling models and electrical and optical transfer functions of the waveguide structure. The key aspect of the poling model is the large boundary charge density deposited during the poling process. The boundary charge density also has a large effect on the electrical transfer function which is used to explain the transient response of the system. These models are experimentally verified. Exploratory experiment design is used to study poling parameters including time, temperature, and voltage. These studies verify the poling conditions for CLDX/APC and CLDZ/APEC guest host electro optic polymer films in waveguide stacks predicted by the theoretical developments.
Infinite-impulse-response models of the head-related transfer function
NASA Astrophysics Data System (ADS)
Kulkarni, Abhijit; Colburn, H. Steven
2004-04-01
Head-related transfer functions (HRTFs) measured from human subjects were approximated using infinite-impulse-response (IIR) filter models. Models were restricted to rational transfer functions (plus simple delays) so that specific models are characterized by the locations of poles and zeros in the complex plane. The all-pole case (with no nontrivial zeros) is treated first using the theory of linear prediction. Then the general pole-zero model is derived using a weighted-least-squares (WLS) formulation of the modified least-squares problem proposed by Kalman (1958). Both estimation algorithms are based on solutions of sets of linear equations and result in efficient computational schemes to find low-order model HRTFs. The validity of each of these two low-order models was assessed in psychophysical experiments. Specifically, a four-interval, two-alternative, forced-choice paradigm was used to test the discriminability of virtual stimuli constructed from empirical and model HRTFs for corresponding locations. For these experiments, the stimuli were 80 ms, noise tokens generated from a wideband noise generator. Results show that sounds synthesized through model HRTFs were indistinguishable from sounds synthesized from original HRTF measurements for the majority of positions tested. The advantages of the techniques described here are the computational efficiencies achieved for low-order IIR models. Properties of the all-pole and pole-zero estimators are discussed in the context of low-order HRTF representations, and implications for basic and applied contexts are considered.
Using transfer functions as a method for predicting lightning effects on munitions storage bunkers
Struck, J.K.; Chiefa, M.A.; Grenert, J.E.; Jorgenson, R.E.; Morris, M.E.
1992-06-01
Measurements have recently been conducted and computer models constructed to determine the coupling of lightning energy into munition storage bunkers as detailed in companion conference papers. In this paper transfer functions from the incident current to the measured parameters are used to construct simple circuit models that explain much of the important observed quantitative and qualitative information and differences in transfer functions are used to identify nonlinearities in the response data. In particular, V{sub oc} -- the open-circuit voltage generated between metal objects in the structure, I{sub sc} -- the short-circuit current generated in a wire connecting metal objects in the structure, and a typical current measurement in the buried counterpoise system behave in a relatively simple manner explainable by one or several circuit elements. The circuit elements inferred from measured data are comparable in magnitude with those developed from simple analytical models for inductance and resistance. These analytical models are more useful in predicting bounding electromagnetic environment values rather than providing exact time domain waveforms. 2 refs.
Using transfer functions as a method for predicting lightning effects on munitions storage bunkers
Struck, J.K.; Chiefa, M.A.; Grenert, J.E. ); Jorgenson, R.E.; Morris, M.E. )
1992-01-01
Measurements have recently been conducted and computer models constructed to determine the coupling of lightning energy into munition storage bunkers as detailed in companion conference papers. In this paper transfer functions from the incident current to the measured parameters are used to construct simple circuit models that explain much of the important observed quantitative and qualitative information and differences in transfer functions are used to identify nonlinearities in the response data. In particular, V{sub oc} -- the open-circuit voltage generated between metal objects in the structure, I{sub sc} -- the short-circuit current generated in a wire connecting metal objects in the structure, and a typical current measurement in the buried counterpoise system behave in a relatively simple manner explainable by one or several circuit elements. The circuit elements inferred from measured data are comparable in magnitude with those developed from simple analytical models for inductance and resistance. These analytical models are more useful in predicting bounding electromagnetic environment values rather than providing exact time domain waveforms. 2 refs.
Chiu, Tai-Yin; Chiang, Hui-Ju K.; Huang, Ruei-Yang; Jiang, Jie-Hong R.; Fages, François
2015-01-01
The ability to engineer synthetic systems in the biochemical context is constantly being improved and has a profound societal impact. Linear system design is one of the most pervasive methods applied in control tasks, and its biochemical realization has been proposed by Oishi and Klavins and advanced further in recent years. However, several technical issues remain unsolved. Specifically, the design process is not fully automated from specification at the transfer function level, systems once designed often lack dynamic adaptivity to environmental changes, matching rate constants of reactions is not always possible, and implementation may be approximative and greatly deviate from the specifications. Building upon the work of Oishi and Klavins, this paper overcomes these issues by introducing a design flow that transforms a transfer-function specification of a linear system into a set of chemical reactions, whose input-output response precisely conforms to the specification. This system is implementable using the DNA strand displacement technique. The underlying configurability is embedded into primitive components and template modules, and thus the entire system is adaptive. Simulation of DNA strand displacement implementation confirmed the feasibility and superiority of the proposed synthesis flow. PMID:26352855
The acoustical cues to sound location in the rat: Measurements of directional transfer functions
Koka, Kanthaiah; Read, Heather L.; Tollin, Daniel J.
2008-01-01
The acoustical cues for sound location are generated by spatial- and frequency-dependent filtering of propagating sound waves by the head and external ears. Although rats have been a common model system for anatomy, physiology, and psychophysics of localization, there have been few studies of the acoustical cues available to rats. Here, directional transfer functions (DTFs), the directional components of the head-related transfer functions, were measured in six adult rats. The cues to location were computed from the DTFs. In the frontal hemisphere, spectral notches were present for frequencies from ∼16 to 30 kHz; in general, the frequency corresponding to the notch increased with increases in source elevation and in azimuth toward the ipsilateral ear. The maximum high-frequency envelope-based interaural time differences (ITDs) were 130 μs, whereas low-frequency (<3.5 kHz) fine-structure ITDs were 160 μs; both types of ITDs were larger than predicted from spherical head models. Interaural level differences (ILDs) strongly depended on location and frequency. Maximum ILDs were <10 dB for frequencies <8 kHz and were as large as 20–40 dB for frequencies >20 kHz. Removal of the pinna eliminated the spectral notches, reduced the acoustic gain and ILDs, altered the acoustical axis, and reduced the ITDs. PMID:18537381
The acoustical cues to sound location in the rat: measurements of directional transfer functions.
Koka, Kanthaiah; Read, Heather L; Tollin, Daniel J
2008-06-01
The acoustical cues for sound location are generated by spatial- and frequency-dependent filtering of propagating sound waves by the head and external ears. Although rats have been a common model system for anatomy, physiology, and psychophysics of localization, there have been few studies of the acoustical cues available to rats. Here, directional transfer functions (DTFs), the directional components of the head-related transfer functions, were measured in six adult rats. The cues to location were computed from the DTFs. In the frontal hemisphere, spectral notches were present for frequencies from approximately 16 to 30 kHz; in general, the frequency corresponding to the notch increased with increases in source elevation and in azimuth toward the ipsilateral ear. The maximum high-frequency envelope-based interaural time differences (ITDs) were 130 mus, whereas low-frequency (<3.5 kHz) fine-structure ITDs were 160 mus; both types of ITDs were larger than predicted from spherical head models. Interaural level differences (ILDs) strongly depended on location and frequency. Maximum ILDs were <10 dB for frequencies <8 kHz and were as large as 20-40 dB for frequencies >20 kHz. Removal of the pinna eliminated the spectral notches, reduced the acoustic gain and ILDs, altered the acoustical axis, and reduced the ITDs. PMID:18537381
Meel-van den Abeelen, Aisha S S; van Beek, Arenda H E A; Slump, Cornelis H; Panerai, Ronney B; Claassen, Jurgen A H R
2014-05-01
Cerebral autoregulation (CA) is a key mechanism to protect the brain against excessive fluctuations in blood pressure (BP) and maintain cerebral blood flow. Analyzing the relationship between spontaneous BP and cerebral blood flow velocity (CBFV) using transfer function analysis is a widely used technique to quantify CA in a non-invasive way. The objective of this review was to provide an overview of transfer function techniques used in the assessment of CA. 113 publications were included. This literature showed that there is no gold standard for the execution and implementation of the transfer function. There is a high diversity in settings and criteria used for transfer function analysis. Notable is also the high number of studies which report little on the settings. This disparity makes it difficult to replicate or compare the results of the different studies and further hinders the opportunity to make a distinction between intact and impaired CA in different patient groups. More research on the effects of different implementation techniques on CA results and optimization of the transfer function analysis is urgently needed. Furthermore, international guidelines should be created to inform the minimal description of the applied technique and the interpretation of transfer function outcomes in scientific research.
Tunable fluorescence in chromophore-functionalized nanodiamond induced by energy transfer
NASA Astrophysics Data System (ADS)
Maitra, Urmimala; Jain, Ankit; George, Subi J.; Rao, C. N. R.
2011-08-01
Hybrid materials comprising diamond nanoparticles (ND) and oligo(phenylenevinylenes) (OPVs) have been synthesized by the covalent linking of acid-functionalized ND and OPV-amine. Chromophore-functionalized ND particles with long alkyl and π-conjugated groups are readily dispersed in various organic solvents without any precipitation after several hours. A careful study of the properties of the hybrid materials revealed an aggregation-induced energy transfer from the blue fluorescent nanodiamonds to green emitting OPVs. At very low concentrations the hybrid emits in the blue region, but as the concentration is increased a gradual transition from blue to green emission occurs. Competitive processes such as aggregation-induced enhanced emission and self-absorption have been ruled out and a molecular picture of the phenomenon is proposed. This strategy can open a plethora of new avenues for fluorescent nanodiamonds in optoelectronics and light harvesting apart from bio-imaging.Hybrid materials comprising diamond nanoparticles (ND) and oligo(phenylenevinylenes) (OPVs) have been synthesized by the covalent linking of acid-functionalized ND and OPV-amine. Chromophore-functionalized ND particles with long alkyl and π-conjugated groups are readily dispersed in various organic solvents without any precipitation after several hours. A careful study of the properties of the hybrid materials revealed an aggregation-induced energy transfer from the blue fluorescent nanodiamonds to green emitting OPVs. At very low concentrations the hybrid emits in the blue region, but as the concentration is increased a gradual transition from blue to green emission occurs. Competitive processes such as aggregation-induced enhanced emission and self-absorption have been ruled out and a molecular picture of the phenomenon is proposed. This strategy can open a plethora of new avenues for fluorescent nanodiamonds in optoelectronics and light harvesting apart from bio-imaging. Electronic
NASA Astrophysics Data System (ADS)
Engelhart, S. E.; Horton, B. P.; Roberts, D. H.; Milne, G.; Corbett, D. R.; Bryant, C.
2005-12-01
A full understanding of sea-level, ice sheets, ocean circulation, tectonics and regional climate requires observations of relative sea-level change from both near- and far-field locations (regions distant from the major glacial centres). The coastline of Southeast Sulawesi, Indonesia is a particularly important far-field location as relative sea-level reconstructions give information on the nature and response of materials of the crust. Reconstructions through the Holocene allow modellers to quantify lithospheric thickness and mantle viscosity and establish lateral variations in mantle structure across the continental/oceanic margin; aims not achieved using long records from other far-field locations. These variables are important to modelling the earth's response to future climate and sea-level change and can be applied to locations where Holocene relative sea-level reconstructions are hard to obtain. The study are is located within the Wakatobi Marine National Park, which is 13,900km2 in size and consists of raised Quaternary coral atolls attached to the submerged continental crust of the Tukang Besi block. We have developed a microfossil transfer function to reconstruct former sea level. We have collected contemporary pollen samples from three mangrove transects in Southeast Sulawesi, Indonesia. The Family Rhizophoraceae and particularly the genus Rhizophora dominate the mangroves of S.E. Sulawesi in line with previous studies from Southeast Asia and Northern Australia. 16 mangrove pollen species were identified within the contemporary samples. The transfer function demonstrates that reconstructions using this dataset can achieve predictions accurate to ± 10 cm. Sea-level observations from Southeast Sulawesi reveal an upward trend of Holocene relative sea level from a minimum of -2.8m 6750 cal yrs BP to the present elevation. Relative sea-level rises rapidly; greater than 1.4 m between 6750 - 5750 cal yrs BP. Thereafter, sea level continues to rise at a steady
Mitochondrial function and toxicity: role of B vitamins on the one-carbon transfer pathways.
Depeint, Flore; Bruce, W Robert; Shangari, Nandita; Mehta, Rhea; O'Brien, Peter J
2006-10-27
The B vitamins are water-soluble vitamins that are required as coenzymes for reactions essential for cellular function. This review focuses on the essential role of vitamins in maintaining the one-carbon transfer cycles. Folate and choline are believed to be central methyl donors required for mitochondrial protein and nucleic acid synthesis through their active forms, 5-methyltetrahydrofolate and betaine, respectively. Cobalamin (B12) may assist methyltetrahydrofolate in the synthesis of methionine, a cysteine source for glutathione biosynthesis. Pyridoxal, pyridoxine and pyridoxamine (B6) seem to be involved in the regeneration of tetrahydrofolate into the active methyl-bearing form and in glutathione biosynthesis from homocysteine. Other roles of these vitamins that are relevant to mitochondrial functions will also be discussed. However these roles for B vitamins in cell function are mostly theoretically based and still require verification at the cellular level. For instance it is still not known what B vitamins are depleted by xenobiotic toxins or which cellular targets, metabolic pathways or molecular toxic mechanisms are prevented by B vitamins. This review covers the current state of knowledge and suggests where this research field is heading so as to better understand the role vitamin Bs play in cellular function and intermediary metabolism as well as molecular, cellular and clinical consequences of vitamin deficiency. The current experimental and clinical evidence that supplementation alleviates deficiency symptoms as well as the effectiveness of vitamins as antioxidants will also be reviewed.
Koefoed, Line; Pedersen, Emil Bjerglund; Thyssen, Lena; Vinther, Jesper; Kristiansen, Thomas; Pedersen, Steen U; Daasbjerg, Kim
2016-06-28
Development of versatile methods for graphene functionalization is necessary before use in applications such as composites or as catalyst support. In this study, bipolar electrochemistry is used as a wireless functionalization method to graft 4-bromobenzenediazonium on large (10 × 10 mm(2)) monolayer graphene sheets supported on SiO2. Using this technique, transferred graphene can be electrochemically functionalized without the need of a metal support or the deposition of physical contacts. X-ray photoelectron spectroscopy and Raman spectroscopy are used to map the chemical changes and modifications of graphene across the individual sheets. Interestingly, the defect density is similar between samples, independent of driving potential, whereas the grafting density is increased upon increasing the driving potential. It is observed that the 2D nature of the electrode influences the electrochemistry and stability of the electrode compared to conventional electrografting using a three-electrode setup. On one side, the graphene will be blocked by the attached organic film, but the conductivity is also altered upon functionalization, which makes the graphene electrode different from a normal metal electrode. Furthermore, it is shown that it is possible to simultaneously modify an array of many small graphene electrodes (1 × 1 mm(2)) on SiO2.
Empirical transfer functions for stations in the Central California seismological network
Bakun, W.H.; Dratler, Jay
1976-01-01
A sequence of calibration signals composed of a station identification code, a transient from the release of the seismometer mass at rest from a known displacement from the equilibrium position, and a transient from a known step in voltage to the amplifier input are generated by the automatic daily calibration system (ADCS) now operational in the U.S. Geological Survey central California seismographic network. Documentation of a sequence of interactive programs to compute, from the calibration data, the complex transfer functions for the seismographic system (ground motion through digitizer) the electronics (amplifier through digitizer), and the seismometer alone are presented. The analysis utilizes the Fourier transform technique originally suggested by Espinosa et al (1962). Section I is a general description of seismographic calibration. Section II contrasts the 'Fourier transform' and the 'least-squares' techniques for analyzing transient calibration signals. Theoretical consideration for the Fourier transform technique used here are described in Section III. Section IV is a detailed description of the sequence of calibration signals generated by the ADCS. Section V is a brief 'cookbook description' of the calibration programs; Section VI contains a detailed sample program execution. Section VII suggests the uses of the resultant empirical transfer functions. Supplemental interactive programs by which smooth response functions, suitable for reducing seismic data to ground motion, are also documented in Section VII. Appendices A and B contain complete listings of the Fortran source Codes while Appendix C is an update containing preliminary results obtained from an analysis of some of the calibration signals from stations in the seismographic network near Oroville, California.
Bershtein, Shimon; Serohijos, Adrian W R; Bhattacharyya, Sanchari; Manhart, Michael; Choi, Jeong-Mo; Mu, Wanmeng; Zhou, Jingwen; Shakhnovich, Eugene I
2015-10-01
Horizontal gene transfer (HGT) plays a central role in bacterial evolution, yet the molecular and cellular constraints on functional integration of the foreign genes are poorly understood. Here we performed inter-species replacement of the chromosomal folA gene, encoding an essential metabolic enzyme dihydrofolate reductase (DHFR), with orthologs from 35 other mesophilic bacteria. The orthologous inter-species replacements caused a marked drop (in the range 10-90%) in bacterial growth rate despite the fact that most orthologous DHFRs are as stable as E.coli DHFR at 37°C and are more catalytically active than E. coli DHFR. Although phylogenetic distance between E. coli and orthologous DHFRs as well as their individual molecular properties correlate poorly with growth rates, the product of the intracellular DHFR abundance and catalytic activity (kcat/KM), correlates strongly with growth rates, indicating that the drop in DHFR abundance constitutes the major fitness barrier to HGT. Serial propagation of the orthologous strains for ~600 generations dramatically improved growth rates by largely alleviating the fitness barriers. Whole genome sequencing and global proteome quantification revealed that the evolved strains with the largest fitness improvements have accumulated mutations that inactivated the ATP-dependent Lon protease, causing an increase in the intracellular DHFR abundance. In one case DHFR abundance increased further due to mutations accumulated in folA promoter, but only after the lon inactivating mutations were fixed in the population. Thus, by apparently distinguishing between self and non-self proteins, protein homeostasis imposes an immediate and global barrier to the functional integration of foreign genes by decreasing the intracellular abundance of their products. Once this barrier is alleviated, more fine-tuned evolution occurs to adjust the function/expression of the transferred proteins to the constraints imposed by the intracellular
Bhattacharyya, Sanchari; Manhart, Michael; Choi, Jeong-Mo; Mu, Wanmeng; Zhou, Jingwen; Shakhnovich, Eugene I.
2015-01-01
Horizontal gene transfer (HGT) plays a central role in bacterial evolution, yet the molecular and cellular constraints on functional integration of the foreign genes are poorly understood. Here we performed inter-species replacement of the chromosomal folA gene, encoding an essential metabolic enzyme dihydrofolate reductase (DHFR), with orthologs from 35 other mesophilic bacteria. The orthologous inter-species replacements caused a marked drop (in the range 10–90%) in bacterial growth rate despite the fact that most orthologous DHFRs are as stable as E.coli DHFR at 37°C and are more catalytically active than E. coli DHFR. Although phylogenetic distance between E. coli and orthologous DHFRs as well as their individual molecular properties correlate poorly with growth rates, the product of the intracellular DHFR abundance and catalytic activity (k cat/KM), correlates strongly with growth rates, indicating that the drop in DHFR abundance constitutes the major fitness barrier to HGT. Serial propagation of the orthologous strains for ~600 generations dramatically improved growth rates by largely alleviating the fitness barriers. Whole genome sequencing and global proteome quantification revealed that the evolved strains with the largest fitness improvements have accumulated mutations that inactivated the ATP-dependent Lon protease, causing an increase in the intracellular DHFR abundance. In one case DHFR abundance increased further due to mutations accumulated in folA promoter, but only after the lon inactivating mutations were fixed in the population. Thus, by apparently distinguishing between self and non-self proteins, protein homeostasis imposes an immediate and global barrier to the functional integration of foreign genes by decreasing the intracellular abundance of their products. Once this barrier is alleviated, more fine-tuned evolution occurs to adjust the function/expression of the transferred proteins to the constraints imposed by the intracellular
Liu, Fang; Zhang, Xiaobo; Lu, Changming; Zeng, Xinhua; Li, Yunjing; Fu, Donghui; Wu, Gang
2015-09-01
Plant non-specific lipid-transfer proteins (nsLTPs) are small, basic proteins present in abundance in higher plants. They are involved in key processes of plant cytology, such as the stablization of membranes, cell wall organization, and signal transduction. nsLTPs are also known to play important roles in resistance to biotic and abiotic stress, and in plant growth and development, such as sexual reproduction, seed development and germination. The structures of plant nsLTPs contain an eight-cysteine residue conserved motif, linked by four disulfide bonds, and an internal hydrophobic cavity, which comprises the lipid-binding site. This structure endows stability and increases the ability to bind and/or carry hydrophobic molecules. There is growing interest in nsLTPs, due to their critical roles, resulting in the need for a comprehensive review of their form and function. Relevant topics include: nsLTP structure and biochemical features, their classification, identification, and characterization across species, sub-cellular localization, lipid binding and transfer ability, expression profiling, functionality, and evolution. We present advances, as well as limitations and trends, relating to the different topics of the nsLTP gene family. This review collates a large body of research pertaining to the role of nsLTPs across the plant kingdom, which has been integrated as an in depth functional analysis of this group of proteins as a whole, and their activities across multiple biochemical pathways, based on a large number of reports. This review will enhance our understanding of nsLTP activity in planta, prompting further work and insights into the roles of this multifaceted protein family in plants.
NASA Astrophysics Data System (ADS)
Pittelkau, Mark E.; McKinley, William G.
2016-06-01
We define the displacement, smear, and jitter components of image motion and derive the two-dimensional statistical image motion optical transfer function (OTF) corresponding to each component. These statistical OTFs are parameterized by means and covariances, which are computed most conveniently from a weighted power spectrum of the line-of-sight motion. Another feature of these results is the realization that all temporal and spatial frequencies contribute to each statistical OTF and that one can determine the frequencies that contribute most significantly to each OTF. Additionally, optical system design is typically based upon the properties of an individual image. In a comprehensive optical system design, the statistical properties of an ensemble of images should also be considered. For individual images subject to a constant but possibly unknown smear length, the OTF is a sinc function. This is called a deterministic smear OTF because it does not describe the smear statistically. The statistical smear OTF describes the average smear OTF for an ensemble of images.
Analytical solution of beam spread function for ocean light radiative transfer.
Xu, Zao; Yue, Dick K P
2015-07-13
We develop a new method to analytically obtain the beam spread function (BSF) for light radiative transfer in oceanic environments. The BSF, which is defined as the lateral distribution of the (scalar) irradiance with increasing depth in response to a uni-directional beam emanating from a point source in an infinite ocean, must in general be obtained by solving the three-dimensional (3D) radiative transfer equation (RTE). By taking advantage of the highly forward-peaked scattering property of the ocean particles, we assume, for a narrow beam source, the dependence of radiance on polar angle and azimuthal angle is deliberately separated; only single scattering takes place in the azimuthal direction while multiple scattering still occurs in the polar direction. This assumption enables us to reduce the five-variable 3D RTE to a three-variable two-dimensional (2D) RTE. With this simplification, we apply Fourier spectral method to both spatial and angular variables so that we are able to analytically solve the 2D RTE and obtain the 2D BSF accordingly. Using the relations between 2D and 3D solutions acquired during the process of simplification, we are able to obtain the 3D BSF in explicit form. The 2D and 3D analytical solutions are validated by comparing with Monte Carlo radiative transfer simulations. The 2D analytical BSF agrees excellently with the Monte Carlo result. Despite assumptions of axial symmetry and spike-like azimuthal profile of the radiance in deriving the 3D BSF, the comparisons to numerical simulations are very satisfactory especially for limited optical depths (< O(5)) for single scattering albedo values typical in the ocean. The explicit form of the analytical BSF and the significant gain in computational efficiency (several orders higher) relative to RTE simulations make many forward and inverse problems in ocean optics practical for routine applications.
Yamada, Kenta; Kawashima, Yukio; Tachikawa, Masanori
2014-05-13
We performed ab initio path integral molecular dynamics (PIMD) simulations with a density functional theory (DFT) method to accurately predict hyperfine coupling constants (HFCCs) in the ethyl radical (CβH3-CαH2) and its Mu-substituted (muoniated) compound (CβH2Mu-CαH2). The substitution of a Mu atom, an ultralight isotope of the H atom, with larger nuclear quantum effect is expected to strongly affect the nature of the ethyl radical. The static conventional DFT calculations of CβH3-CαH2 find that the elongation of one Cβ-H bond causes a change in the shape of potential energy curve along the rotational angle via the imbalance of attractive and repulsive interactions between the methyl and methylene groups. Investigation of the methyl-group behavior including the nuclear quantum and thermal effects shows that an unbalanced CβH2Mu group with the elongated Cβ-Mu bond rotates around the Cβ-Cα bond in a muoniated ethyl radical, quite differently from the CβH3 group with the three equivalent Cβ-H bonds in the ethyl radical. These rotations couple with other molecular motions such as the methylene-group rocking motion (inversion), leading to difficulties in reproducing the corresponding barrier heights. Our PIMD simulations successfully predict the barrier heights to be close to the experimental values and provide a significant improvement in muon and proton HFCCs given by the static conventional DFT method. Further investigation reveals that the Cβ-Mu/H stretching motion, methyl-group rotation, methylene-group rocking motion, and HFCC values deeply intertwine with each other. Because these motions are different between the radicals, a proper description of the structural fluctuations reflecting the nuclear quantum and thermal effects is vital to evaluate HFCC values in theory to be comparable to the experimental ones. Accordingly, a fundamental difference in HFCC between the radicals arises from their intrinsic molecular motions at a finite temperature, in
Wu, Long Tao; Hui, Jerome H L; Chu, Ka Hou
2013-04-01
Vitellogenin (VTG) and apolipoprotein (APO) play a central role in animal reproduction and lipid circulation, respectively. Although previous studies have examined the structural and functional relationships of these large lipid transfer proteins (LLTPs) from an evolutionary perspective, the mechanism in generating these different families have not been addressed in invertebrates. In this study, the most comprehensive phylogenetic and genomic analysis of the LLTP superfamily genes is carried out. We propose the expansion and diversification of LLTPs in invertebrates are mediated via retrotransposon-mediated duplications, followed by either subfunctionalization or neofunctionalization in different lineages. In agreement with a previous hypothesis, our analysis suggests that all LLTPs originate from a series of duplications of a primitive yolk protein gene similar to VTG. Two early consecutive duplications of the yolk protein genes resulted in the formation of microsomal triglyceride transfer protein (MTP) and the APO gene ancestor. Gains and losses of domains and genes occurred in each of these families in different animal lineages, with MTP becoming truncated. MTP maintained only the components stabilizing the huge lipoprotein particle. Surprisingly, for the first time, two VTG-like protein families were found to independently arise in the lineages of insects. This work consolidates the reconstruction of the evolutionary roadmap of the LLTP superfamily and provides the first mechanistic explanation on the expansion of family members via retrotransposition in invertebrates. PMID:23426435
NASA Technical Reports Server (NTRS)
Ko, William L.; Fleischer, Van Tran
2015-01-01
Variable-Domain Displacement Transfer Functions were formulated for shape predictions of complex wing structures, for which surface strain-sensing stations must be properly distributed to avoid jointed junctures, and must be increased in the high strain gradient region. Each embedded beam (depth-wise cross section of structure along a surface strain-sensing line) was discretized into small variable domains. Thus, the surface strain distribution can be described with a piecewise linear or a piecewise nonlinear function. Through discretization, the embedded beam curvature equation can be piece-wisely integrated to obtain the Variable-Domain Displacement Transfer Functions (for each embedded beam), which are expressed in terms of geometrical parameters of the embedded beam and the surface strains along the strain-sensing line. By inputting the surface strain data into the Displacement Transfer Functions, slopes and deflections along each embedded beam can be calculated for mapping out overall structural deformed shapes. A long tapered cantilever tubular beam was chosen for shape prediction analysis. The input surface strains were analytically generated from finite-element analysis. The shape prediction accuracies of the Variable- Domain Displacement Transfer Functions were then determined in light of the finite-element generated slopes and deflections, and were fofound to be comparable to the accuracies of the constant-domain Displacement Transfer Functions
Accurate quantum chemical calculations
NASA Technical Reports Server (NTRS)
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
NASA Astrophysics Data System (ADS)
Yang, Xusan; Tang, Yuanhe; Liu, Kai; Liu, Hanchen; Gao, Haiyang; Li, Qing; Zhang, Ruixia; Ye, Na; Liang, Yuan; Zhao, Gaoxiang
2008-12-01
Based on the electro-optical properties of liquid crystal, we have designed a novel partial gating detector. Liquid crystal can be taken to change its own transmission according to the light intensity outside. Every single pixel of the image is real-time modulated by liquid crystal, thus the strong light is weakened and low light goes through the detector normally .The purpose of partial-gating strong light (>105lx) can be achieved by this detector. The modulation transfer function (MTF) equations of the main optical sub-systems are calculated in this paper, they are liquid crystal panels, linear fiber panel and CCD array detector. According to the relevant size, the MTF value of this system is fitted out. The result is MTF= 0.518 at Nyquist frequency.
Trophic transfer of biodiversity effects: functional equivalence of prey diversity and enrichment?
Behl, Stephan; Schryver, Vera; Diehl, Sebastian; Stibor, Herwig
2012-12-01
Producer diversity is frequently assumed to be detrimental to herbivores, because less edible taxa are more likely to dominate diverse communities. Many producers are, however, complementary in their resource use, and primary production is often positively related to producer diversity. We performed an experiment with microalgae and a generalist herbivore to explore the hypothesis that such positive effects are transferred up the food chain and are functionally comparable to effects of enrichment with a limiting resource. In both absence and presence of grazers, primary production was positively affected by both light supply and producer diversity. Survival, reproduction, and biomass of herbivores were also positively affected by light supply and producer diversity, with both factors contributing equally to grazer performance. We conclude that producer diversity can indeed have similar positive effects on secondary production as enrichment with a limiting resource and discuss conditions under which such positive effects are likely to dominate over negative ones.
Poulíčková, Aloisie; Hájková, Petra; Kintrová, Kateřina; Bat'ková, Romana; Czudková, Markéta; Hájek, Michal
2013-08-01
Central European mountain bogs, among the most valuable and threatened of habitats, were exposed to intensive human impact during the 20th century. We reconstructed the subrecent water chemistry and water-table depths using diatom based transfer functions calibrated from modern sampling. Herbarium Sphagnum specimens collected during the period 1918-1998 were used as a source of historic diatom samples. We classified samples into hummocks and hollows according to the identity of dominant Sphagnum species, to reduce bias caused by uneven sampling of particular microhabitats. Our results provide clear evidence for bog pollution by grazing during the period 1918-1947 and by undocumented aerial liming in the early 90-ies. We advocate use of herbarized epibryon as a source of information on subrecent conditions in recently polluted mires.
NASA Astrophysics Data System (ADS)
Zeng, Xiang-Yang; Wang, Shu-Guang; Gao, Li-Ping
2010-09-01
As the basic data for virtual auditory technology, head-related transfer function (HRTF) has many applications in the areas of room acoustic modeling, spatial hearing and multimedia. How to individualize HRTF fast and effectively has become an opening problem at present. Based on the similarity and relativity of anthropometric structures, a hybrid HRTF customization algorithm, which has combined the method of principal component analysis (PCA), multiple linear regression (MLR) and database matching (DM), has been presented in this paper. The HRTFs selected by both the best match and the worst match have been applied into obtaining binaurally auralized sounds, which are then used for subjective listening experiments and the results are compared. For the area in the horizontal plane, the localization results have shown that the selection of HRTFs can enhance the localization accuracy and can also abate the problem of front-back confusion.
Poulíčková, Aloisie; Hájková, Petra; Kintrová, Kateřina; Bat'ková, Romana; Czudková, Markéta; Hájek, Michal
2013-08-01
Central European mountain bogs, among the most valuable and threatened of habitats, were exposed to intensive human impact during the 20th century. We reconstructed the subrecent water chemistry and water-table depths using diatom based transfer functions calibrated from modern sampling. Herbarium Sphagnum specimens collected during the period 1918-1998 were used as a source of historic diatom samples. We classified samples into hummocks and hollows according to the identity of dominant Sphagnum species, to reduce bias caused by uneven sampling of particular microhabitats. Our results provide clear evidence for bog pollution by grazing during the period 1918-1947 and by undocumented aerial liming in the early 90-ies. We advocate use of herbarized epibryon as a source of information on subrecent conditions in recently polluted mires. PMID:23688732
Density functional theory of tautomerism and water-assisted proton transfer of glycoluril
NASA Astrophysics Data System (ADS)
Beni, Alireza Salimi; Aazari, Masumeh; Chermahini, Alireza Najafi; Zarandi, Maryam
2016-09-01
Density functional theory and MP2 methods have been employed to study of proton transfer reaction in annular tautomerization of tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione (glycoluril). Ten different tautomers are possible for the tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione. For all molecules, the Gibbs free energy at 0 and 298 K was estimated. In addition variation of dipole moments and charges on atoms are studied in the gas phase and solution, the specific solvent effects with addition of one molecule of water near the electrophilic centers of tautomer and the NBO charges of atoms were investigated. NBO analysis shows that there is a strong interaction between nitrogen lone pairs and double bonds.
LQG optimal compensator transfer function for the NASA LaRC CSI Evolutionary Model
NASA Technical Reports Server (NTRS)
Balakrishnan, A. V.
1994-01-01
Following the general form for LQG optimal compensators for flexible structures with collocated rate sensors we develop an explicit compensator transfer function for the NASA LaRC CSI Evolutionary model in the form: psi(i omega) = g i omega B(sub u)(sup *)(-M(sub b)omega(exp 2) + T(i omega) + i gamma omega B(sub u)Bu(sub u)(sup *))(exp -1)B(sub u) where T(i omega) is a 48 x 48 positive definite matrix whose derivation is the main result of this report. The undamped mode frequencies can be expressed in terms of T(i omega) as the zeros of Det (-omega(exp 2)M(sub b) + T(i omega)) while 'clamped-clamped' modes of the structure (with all nodes clamped) are the poles.
NASA Astrophysics Data System (ADS)
Qiu, Q.; Fang, Z. P.; Wan, H. C.; Zheng, L.
2013-07-01
Based on the Donnell assumptions and linear visco-elastic theory, the constitutive equations of the cylindrical shell with multilayer Passive Constrained Layer Damping (PCLD) treatments are described. The motion equations and boundary conditions are derived by Hamilton principle. After trigonometric series expansion and Laplace transform, the state vector is introduced and the dynamic equations in state space are established. The transfer function method is used to solve the state equation. The dynamic performance including the natural frequency, the loss factor and the frequency response of clamped-clamped multi-layer PCLD cylindrical shell is obtained. The results show that multi-layer PCLD cylindrical shell is more effective than the traditional three-layer PCLD cylindrical shell in suppressing vibration and noise if the same amount of material is applied. It demonstrates a potential application of multi-layer PCLD treatments in many critical structures such as cabins of aircrafts, hulls of submarines and bodies of rockets and missiles.
NASA Astrophysics Data System (ADS)
Totaro, N.; Guyader, J. L.
2012-06-01
Given the need to decrease energy consumption in the automobile industry, vehicle weight has become an important issue. Regarding acoustic comfort, the weight of noise reduction devices must be minimized inside vehicle compartments. Consequently, these devices, for example those using poro-elastic materials, must be designed carefully to maximize their influence on noise reduction. The present paper describes a method developed to obtain an efficient positioning of a given surface (or mass) of absorbing material characterized by its surface impedance. This technique is based on the Patch Transfer Function method used to couple complex vibro-acoustic sub-domains and which has been successfully applied in the European ViSPeR and Silence projects. First, a numerical analysis of the possibilities of this method is performed on a non-rectangular cavity with rigid walls after which an experimental validation of this numerical analysis is performed to evaluate the accuracy of the method under real conditions.
Trophic transfer of biodiversity effects: functional equivalence of prey diversity and enrichment?
Behl, Stephan; Schryver, Vera; Diehl, Sebastian; Stibor, Herwig
2012-01-01
Producer diversity is frequently assumed to be detrimental to herbivores, because less edible taxa are more likely to dominate diverse communities. Many producers are, however, complementary in their resource use, and primary production is often positively related to producer diversity. We performed an experiment with microalgae and a generalist herbivore to explore the hypothesis that such positive effects are transferred up the food chain and are functionally comparable to effects of enrichment with a limiting resource. In both absence and presence of grazers, primary production was positively affected by both light supply and producer diversity. Survival, reproduction, and biomass of herbivores were also positively affected by light supply and producer diversity, with both factors contributing equally to grazer performance. We conclude that producer diversity can indeed have similar positive effects on secondary production as enrichment with a limiting resource and discuss conditions under which such positive effects are likely to dominate over negative ones. PMID:23301176
Wang, Honglin; Sun, Yue; Chang, Jianhong; Zheng, Fangfang; Pei, Haixia; Yi, Yanjun; Chang, Caren; Dong, Chun-Hai
2016-07-01
Ethylene as a gaseous plant hormone is directly involved in various processes during plant growth and development. Much is known regarding the ethylene receptors and regulatory factors in the ethylene signal transduction pathway. In Arabidopsis thaliana, REVERSION-TO-ETHYLENE SENSITIVITY1 (RTE1) can interact with and positively regulates the ethylene receptor ETHYLENE RESPONSE1 (ETR1). In this study we report the identification and characterization of an RTE1-interacting protein, a putative Arabidopsis lipid transfer protein 1 (LTP1) of unknown function. Through bimolecular fluorescence complementation, a direct molecular interaction between LTP1 and RTE1 was verified in planta. Analysis of an LTP1-GFP fusion in transgenic plants and plasmolysis experiments revealed that LTP1 is localized to the cytoplasm. Analysis of ethylene responses showed that the ltp1 knockout is hypersensitive to 1-aminocyclopropanecarboxylic acid (ACC), while LTP1 overexpression confers insensitivity. Analysis of double mutants etr1-2 ltp1 and rte1-3 ltp1 demonstrates a regulatory function of LTP1 in ethylene receptor signaling through the molecular association with RTE1. This study uncovers a novel function of Arabidopsis LTP1 in the regulation of ethylene response and signaling. PMID:27097903
Analysis of the Radiative Transfer Equation with Highly Asymmetric Phase Function
NASA Technical Reports Server (NTRS)
Korkin, Sergey V.; Lyapustin, Alexei I.; Rozanov, Vladimir V.
2011-01-01
This paper considers a scalar radiative transfer problem with high scattering anisotropy, Two computational methods are presented based on decomposition of the diffuse light field into a regular and anisotropic part. The first algorithm (DOMAS) singles out the anisotropic radiance in the forward scattering peak using the Small-Angle Modification of RTE. The second algorithm (DOM2+) separates the single scattering radiance as an anisotropic part, which largely defines the fine detail of the total radiance in the backscattering directions. In both cases, the anisotropic part is represented analytically. With anisotropy subtraction, the regular part of the signal. which requires a numerical solution, is essentially smoothed as a function of angles. Further, the transport equation is obtained for the regular part that contains an additional source function from the anisotropic part of the signal. This equation is solved with the discrete ordinates method. A conducted numerical analysis of this work showed that algorithm DOMAS has a strong advantage as compared to the standard discrete ordinates method for simulation of the radiance transmission, and DOM2 + is the best of the three for the reflection computations. Both algorithms offer at least a factor of three acceleration of convergence of the azimuthal series for highly anisotropic phase functions.
Realization of Large-Area Wrinkle-Free Monolayer Graphene Films Transferred to Functional Substrates
Park, Byeong-Ju; Choi, Jin-Seok; Kim, Hyun-Suk; Kim, Hyun-You; Jeong, Jong-Ryul; Choi, Hyung-Jin; Jung, Hyun-June; Jung, Min-Wook; An, Ki-Seok; Yoon, Soon-Gil
2015-01-01
Structural inhomogeneities, such as the wrinkles and ripples within a graphene film after transferring the free-standing graphene layer to a functional substrate, degrade the physical and electrical properties of the corresponding electronic devices. Here, we introduced titanium as a superior adhesion layer for fabricating wrinkle-free graphene films that is highly applicable to flexible and transparent electronic devices. The Ti layer does not influence the electronic performance of the functional substrates. Experimental and theoretical investigations confirm that the strong chemical interactions between Ti and any oxygen atoms unintentionally introduced on/within the graphene are responsible for forming the clean, defect-free graphene layer. Our results accelerate the practical application of graphene-related electronic devices with enhanced functionality. The large-area monolayer graphenes were prepared by a simple attachment of the Ti layer with the multi-layer wrinkle-free graphene films. For the first time, the graphene films were addressed for applications of superior bottom electrode for flexible capacitors instead of the novel metals. PMID:26043868
Adaptive neuro-fuzzy prediction of modulation transfer function of optical lens system
NASA Astrophysics Data System (ADS)
Petković, Dalibor; Shamshirband, Shahaboddin; Anuar, Nor Badrul; Md Nasir, Mohd Hairul Nizam; Pavlović, Nenad T.; Akib, Shatirah
2014-07-01
The quantitative assessment of image quality is an important consideration in any type of imaging system. The modulation transfer function (MTF) is a graphical description of the sharpness and contrast of an imaging system or of its individual components. The MTF is also known and spatial frequency response. The MTF curve has different meanings according to the corresponding frequency. The MTF of an optical system specifies the contrast transmitted by the system as a function of image size, and is determined by the inherent optical properties of the system. In this study, the adaptive neuro-fuzzy (ANFIS) estimator is designed and adapted to predict MTF value of the actual optical system. Neural network in ANFIS adjusts parameters of membership function in the fuzzy logic of the fuzzy inference system. The back propagation learning algorithm is used for training this network. This intelligent estimator is implemented using MATLAB/Simulink and the performances are investigated. The simulation results presented in this paper show the effectiveness of the developed method.
Modulation transfer function estimation of optical lens system by adaptive neuro-fuzzy methodology
NASA Astrophysics Data System (ADS)
Petković, Dalibor; Shamshirband, Shahaboddin; Pavlović, Nenad T.; Anuar, Nor Badrul; Kiah, Miss Laiha Mat
2014-07-01
The quantitative assessment of image quality is an important consideration in any type of imaging system. The modulation transfer function (MTF) is a graphical description of the sharpness and contrast of an imaging system or of its individual components. The MTF is also known and spatial frequency response. The MTF curve has different meanings according to the corresponding frequency. The MTF of an optical system specifies the contrast transmitted by the system as a function of image size, and is determined by the inherent optical properties of the system. In this study, the adaptive neuro-fuzzy (ANFIS) estimator is designed and adapted to estimate MTF value of the actual optical system. Neural network in ANFIS adjusts parameters of membership function in the fuzzy logic of the fuzzy inference system. The back propagation learning algorithm is used for training this network. This intelligent estimator is implemented using Matlab/Simulink and the performances are investigated. The simulation results presented in this paper show the effectiveness of the developed method.
The Influence of Incudostapedial Joint Separation on the Middle Ear Transfer Function
Rusinek, Rafał; Zadrozniak, Marek; Morshed, Kamal; Warminski, Jerzy
2014-01-01
Objectives One of the risks in middle ear surgery is high frequency hearing loss. It is believed that manipulations on the middle ear ossicles with the instruments may cause overstimulation of the inner ear and damage of the hear cells. Controversy arises whether temporary separation of the ossicles has any impact on middle ear transfer function and hearing threshold after surgery. The aim of the study is to evaluate the influence of incudostapedial joint (ISJ) separation on middle ear function in an experimental model. Methods With the use of single point laser Doppler vibrometer (LDV) stapes velocity in the intact chain and after ISJ separation was measured in 5 fresh human cadaver temporal bones. Results In all cases there was a decrease in stapes velocity after ISJ separation. Mead stapes velocity was reduced for 1 dB in 800 Hz to 9 dB in frequencies above 1,000 Hz. The decrease of velocity was greater in higher frequencies. Conclusion Separation of the ISJ does not reduce significantly the middle ear function. PMID:25436041
Regulatory T cell transfer ameliorates lymphedema and promotes lymphatic vessel function
Gousopoulos, Epameinondas; Proulx, Steven T.; Bachmann, Samia B.; Scholl, Jeannette; Dionyssiou, Dimitris; Demiri, Efterpi; Halin, Cornelia; Dieterich, Lothar C.
2016-01-01
Secondary lymphedema is a common postcancer treatment complication, but the underlying pathological processes are poorly understood and no curative treatment exists. To investigate lymphedema pathomechanisms, a top-down approach was applied, using genomic data and validating the role of a single target. RNA sequencing of lymphedematous mouse skin indicated upregulation of many T cell–related networks, and indeed depletion of CD4+ cells attenuated lymphedema. The significant upregulation of Foxp3, a transcription factor specifically expressed by regulatory T cells (Tregs), along with other Treg-related genes, implied a potential role of Tregs in lymphedema. Indeed, increased infiltration of Tregs was identified in mouse lymphedematous skin and in human lymphedema specimens. To investigate the role of Tregs during disease progression, loss-of-function and gain-of-function studies were performed. Depletion of Tregs in transgenic mice with Tregs expressing the primate diphtheria toxin receptor and green fluorescent protein (Foxp3-DTR-GFP) mice led to exacerbated edema, concomitant with increased infiltration of immune cells and a mixed TH1/TH2 cytokine profile. Conversely, expansion of Tregs using IL-2/anti–IL-2 mAb complexes significantly reduced lymphedema development. Therapeutic application of adoptively transferred Tregs upon lymphedema establishment reversed all of the major hallmarks of lymphedema, including edema, inflammation, and fibrosis, and also promoted lymphatic drainage function. Collectively, our results reveal that Treg application constitutes a potential new curative treatment modality for lymphedema. PMID:27734032
Vekris, Marios D; Ovrenovits, Maria; Dova, Lefkothea; Beris, Alexandros E; Soucacos, Panayiotis N; Kolaitis, Nikolaos; Vartholomatos, George
2007-01-01
The evolution of microsurgery popularized the free functioning muscle transfers as secondary procedures to reanimate paralyzed extremities after severance of the brachial plexus, especially when the surgeon deals with late cases. Studies considering transplantation, describe thrombophilic factors as a cause of severe complications after transplantation, such as acute or early rejection episodes, delayed graft function, or chronic graft dysfunction. It is the first time that thrombophilia associated with free muscle-graft rejection is reported. A young man who had two free functional muscle transfers for brachial plexus reconstruction in the same forearm within an interval of 6 months. The free functional muscle transfer was failed in both cases because of vein thrombosis and subsequent arterial clot. The possibility of thrombophilia was investigated and during the genetic investigation it was discovered that he was heterozygous for the mutations of factor V, G1691A-Leiden, A4070G and homozygous for the MTHFR C677T mutation. PMID:17295258
NASA Astrophysics Data System (ADS)
Mann, David; Caban, Jesus J.; Stolka, Philipp J.; Boctor, Emad M.; Yoo, Terry S.
2011-03-01
The low-cost and minimum health risks associated with ultrasound (US) have made ultrasonic imaging a widely accepted method to perform diagnostic and image-guided procedures. Despite the existence of 3D ultrasound probes, most analysis and diagnostic procedures are done by studying the B-mode images. Currently, multiple ultrasound probes include 6-DOF sensors that can provide positioning information. Such tracking information can be used to reconstruct a 3D volume from a set of 2D US images. Recent advances in ultrasound imaging have also shown that, directly from the streaming radio frequency (RF) data, it is possible to obtain additional information of the anatomical region under consideration including the elasticity properties. This paper presents a generic framework that takes advantage of current graphics hardware to create a low-latency system to visualize streaming US data while combining multiple tissue attributes into a single illustration. In particular, we introduce a framework that enables real-time reconstruction and interactive visualization of streaming data while enhancing the illustration with elasticity information. The visualization module uses two-dimensional transfer functions (2D TFs) to more effectively fuse and map B-mode and strain values into specific opacity and color values. On commodity hardware, our framework can simultaneously reconstruct, render, and provide user interaction at over 15 fps. Results with phantom and real-world medical datasets show the advantages and effectiveness of our technique with ultrasound data. In particular, our results show how two-dimensional transfer functions can be used to more effectively identify, analyze and visualize lesions in ultrasound images.
Suki, B; Lutchen, K R
1992-11-01
There is an increasing need in physiology to estimate nonparametric linear transfer functions from data originating from biological systems which are invariably nonlinear. For pseudorandom (PRN) input stimuli, we derive general expressions for the apparent transfer (Z) and coherence (gamma 2) functions of nonlinear systems that can be represented by a Volterra series. It is shown that in the case of PRN signals in which the frequency components are integer multiples of other components the estimates of Z are seriously biased due to harmonic distortion and crosstalk among frequency components of the input. When the PRN signal includes components that are not integer multiples of other components harmonic distortion is avoided, but not necessarily cross talk. Here the estimates of Z remain poor without a noticeable influence on gamma 2. To avoid the problems associated with harmonic distortions and minimize the influence of crosstalk, a family of pseudorandom signals is proposed which are especially suited for the estimation of Z and gamma 2 in mechanical measurements of physiological systems at low frequencies. The components in the signals cannot be reproduced as linear combinations of two or more frequency components of the input. In a second-order system, this completely eliminates the bias, while in higher-order, but not strongly nonlinear systems, the interactions among the components are reduced to a level that the response can be considered as if it was measured with independent sine waves of an equivalent amplitude. It is also shown that the values of gamma 2 are not appropriate to assess linearity of the system. The theory is supported by simulation results and experimental examples brought from the field of respiratory mechanics by comparing the input impedance of the respiratory system of a dog measured with various PRN signals. PMID:1487277
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.
System and Method for Measuring the Transfer Function of a Guided Wave Device
NASA Technical Reports Server (NTRS)
Froggatt, Mark E. (Inventor); Erdogan, Turan (Inventor)
2002-01-01
A method/system are provided for measuring the NxN scalar transfer function elements for an N-port guided wave device. Optical energy of a selected wavelength is generated at a source and directed along N reference optical paths having N reference path lengths. Each reference optical path terminates in one of N detectors such that N reference signals are produced at the N detectors. The reference signals are indicative of amplitude, phase and frequency of the optical energy carried along the N reference optical paths. The optical energy from the source is also directed to the N-ports of the guided wave device and then on to each of the N detectors such that N measurement optical paths are defined between the source and each of the N detectors. A portion of the optical energy is modified in terms of at least one of the amplitude and phase to produce N modified signals at each of the N detectors. At each of the N detectors, each of the N modified signals is combined with a corresponding one of the N reference signals to produce corresponding N combined signals at each of the N detectors. A total of N(sup 2) measurement signals are generated by the N detectors. Each of the N(sup 2) measurement signals is sampled at a wave number increment (Delta)k so that N(sup 2) sampled signals are produced. The NxN transfer function elements are generated using the N(sup 2) sampled signals. Reference and measurement path length constraints are defined such that the N combined signals at each of the N detectors are spatially separated from one another in the time domain.
A density functional theory study of dimers of hydrophosphoryl compounds and proton transfer in them
NASA Astrophysics Data System (ADS)
Babin, Yu. V.; Prisyazhnyuk, A. V.; Ustynyuk, Yu. A.
2008-01-01
The structures of dimers of several types of dimethylphosphinous acid (CH3)2POH and dimethylphosphine oxide (CH3)2P(O)H and dimers of the corresponding perfluorinated derivatives (CF3)2POH and (CF3)2P(O)H were studied in detail by density functional theory with the PBE gradient-corrected functional and the TZ2 p basis set. Fairly strong dimeric associates (2.50-10.5 kcal/mol) were shown to form thanks to O-H···O, O-H···P, and C-H···O H-bonds and dipole-dipole interactions of polar phosphoryl groups P → O of two monomer molecules. The existence of C-H···O and the absence of P-H···O H-bonds in (CH3)2P(O)H dimers was substantiated by an AIM (atoms in molecules) analysis of their structures according to Bader. The reaction coordinates were calculated for synchronous transfer of two protons in (CH3)2POH and (CF3)2P(O)H dimers. Both rearrangements were shown to occur via symmetrical six-membered planar transition states with activation barriers of less than 20 kcal/mol, which was much lower than for intramolecular transfer in the corresponding monomers (47 kcal/mol for the (CH3)2P(O)H → (CH3)2POH pair). The tautomeric transitions between the phosphinous acid and phosphine oxide forms observed experimentally in nonpolar media under mild conditions in the absence of molecules that could act as proton carriers were shown to proceed as bimolecular reactions with the intermediate formation of the corresponding dimers.
An expanded ostracod-based conductivity transfer function for climate reconstruction in the Levant
NASA Astrophysics Data System (ADS)
Mischke, Steffen; Almogi-Labin, Ahuva; Al-Saqarat, Bety; Rosenfeld, Arik; Elyashiv, Hadar; Boomer, Ian; Stein, Mordechai; Lev, Lilach; Ito, Emi
2014-06-01
We present the first modern calibration dataset linking ostracod assemblage composition to water chemistry, and other site-specific variables, in the hydrologically and geopolitically sensitive southern Levant region. A total of 42 ostracod taxa were recorded from the 178 sampled sites in Israel and Jordan. Ilyocypris spp., Heterocypris salina and Cypridopsis vidua are the most abundant taxa. Species strictly confined to freshwater conditions are Prionocypris zenkeri, Gomphocythere ortali and Prionocypris olivaceus. In contrast, H. salina, Bradleytriebella lineata and Cyprideis torosa show high frequencies in brackish waters (waters with higher conductivity). Humphcypris subterranea, G. ortali, P. olivaceus and Cypridopsis elongata apparently prefer flowing waters. Specific conductivity optima and tolerance ranges were calculated for the recorded ostracod species and may be used for the palaeoenvironmental assessment of fossil ostracod assemblages. In addition, a transfer-function for quantitative specific conductivity estimation based on 141 samples was established with weighted averaging partial least squares regression (WA-PLS). The resulting coefficient of determination r2 between observed and predicted conductivity values (0.72) and the root-mean-square error of prediction (RMSEP) in % gradient length (13.1) indicate that conductivity may be reliably estimated from ostracod assemblage data. The transfer function was first applied to last glacial ostracod assemblage data from an archaeological trench in the Sea of Galilee (northern Israel). Relatively large conductivity fluctuations between ca 1 and 7 mS cm-1 were inferred for the period 24-20 cal ka BP. In addition, four episodes of freshwater influx near the site of the trench were identified from the presence of shells of freshwater and stream-dwelling species intermingled with very abundant shells of Cyprideis torosa. The results of our study allow a better use of Quaternary ostracods from the Levant as
Study of critical modulation transfer function by UV-vis spectroscopy
NASA Astrophysics Data System (ADS)
Zhang, Ping Linda; Hu, Song; Zhang, Lu Chuan; Jin, Zhong Yuan; Yu, Hai Liang; Wang, Le; Yang, Yong
2007-12-01
Modulation Transfer Function (MTF) for the aerial image formation and Critical Modulation Transfer Function (CMTF) from the image formation system are two most important parameters for the photolithography processes. In this paper, we studied CMTF, or to be precise, we studied the contrast γ of the photoresist. γ is essential to the photolithography processes. New method to measure contrast γ is proposed and studied on DNQ/novolac photoresist. We provided the UV-vis absorption spectroscopic figures of the DNQ/novolac photoresist with sequentially increased exposure energy. In the figures the exposure energy from the i-line (365 nm) contact aligner is from 100 mJ/cm2 to 220 mJ/cm2. Higher amount of exposure dose was also applied to the resist. The UV-vis wavelength range is between 300 to 450 nm and 250 to 550 nm. Based on our UV-vis spectra, the contrast value for the resist is retrieved. We also provided a table that does the contrast comparison of the photography science, the photolithography and our UV-vis method. Our simplified CMTF measurement method yields the contrast of 1.11 and the CMTF of 0.8 for AZ 1500 at 365 nm. The CMTF measurement from the semiconductor fab requires 20-60 data points on one complete wafer to achieve the contrast value and the process latitude. Here CMTF from UV-vis requires two complete spectra. Because of the latent image, this new CMTF measurement is different from the old ways by applying UV-vis method. In the table, we compared the new method with the existing method of the photography and the semiconductor photolithography. Whether in the photography and the photolithography area, contrast is the baseline for the quality specification.
How well do testate amoebae transfer functions relate to high-resolution water-table records?
NASA Astrophysics Data System (ADS)
Holden, Joseph; Swindles, Graeme; Raby, Cassandra; Blundell, Antony
2014-05-01
Testate amoebae (TA) community composition records from peat cores are often used to infer past water-table conditions on peatland sites. However, one of the problems is that validation of water-table depths used in such work typically comes from a one-off water-table measurement or a few measurements of water-table depth from the testate amoebae sample extraction point. Furthermore, one value of water-table depth is produced by the transfer function reconstruction, with sample-specific errors generated through a statistical resampling approach. However, we know that water tables fluctuate in peatlands and are dynamic. Traditional TA water-table data may not adequately capture a mean value from a site, and may not account for water-table dynamics (e.g. seasonal or annual variability) that could influence the TA community composition. We analysed automatically logged (at least hourly, mainly 15-min) peatland water-table data from 72 different dipwells located across northern Sweden, Wales and the Pennine region of England. Each location had not been subject to recent management intervention. A suite of characteristics of water-table dynamics for each point were determined. At each point surface samples were extracted and the TA community composition was determined. Our results show that estimated water-table depth based on the TA community transfer functions poorly represents the real mean or median water tables for the study sites. The TA approach does, however, generally identify sites that have water tables that are closer to the surface for a greater proportion of the year compared to sites with deeper water tables for large proportions of the year. However, the traditional TA approach does not differentiate between sites with similar mean (or median) water-table depths yet which have quite different water table variability (e.g. interquartile range). We suggest some ways of improving water-table metrics for use in Holocene peatland hydrology reconstructions.
Andriunas, Felicity A.; Zhang, Hui-Ming; Xia, Xue; Patrick, John W.; Offler, Christina E.
2013-01-01
Transfer cells (TCs) are ubiquitous throughout the plant kingdom. Their unique ingrowth wall labyrinths, supporting a plasma membrane enriched in transporter proteins, provides these cells with an enhanced membrane transport capacity for resources. In certain plant species, TCs have been shown to function to facilitate phloem loading and/or unloading at cellular sites of intense resource exchange between symplasmic/apoplasmic compartments. Within the phloem, the key cellular locations of TCs are leaf minor veins of collection phloem and stem nodes of transport phloem. In these locations, companion and phloem parenchyma cells trans-differentiate to a TC morphology consistent with facilitating loading and re-distribution of resources, respectively. At a species level, occurrence of TCs is significantly higher in transport than in collection phloem. TCs are absent from release phloem, but occur within post-sieve element unloading pathways and particularly at interfaces between generations of developing Angiosperm seeds. Experimental accessibility of seed TCs has provided opportunities to investigate their inductive signaling, regulation of ingrowth wall formation and membrane transport function. This review uses this information base to explore current knowledge of phloem transport function and inductive signaling for phloem-associated TCs. The functional role of collection phloem and seed TCs is supported by definitive evidence, but no such information is available for stem node TCs that present an almost intractable experimental challenge. There is an emerging understanding of inductive signals and signaling pathways responsible for initiating trans-differentiation to a TC morphology in developing seeds. However, scant information is available to comment on a potential role for inductive signals (auxin, ethylene and reactive oxygen species) that induce seed TCs, in regulating induction of phloem-associated TCs. Biotic phloem invaders have been used as a model to
Institutional Effectiveness and the Transfer Function in the San Diego Community College District.
ERIC Educational Resources Information Center
Armstrong, William B.; Takahata, Gail
Designed to update the San Diego Community College District (SDCCD) Board of Trustees and Chancellor on district transfer activities, this report offers information on the number and characteristics of SDCCD students who transferred to San Diego State University (SDSU) in fall 1989, and outlines broader issues concerning transfer. Introductory…
Contact transfer of anions from hands as a function of the use of hand lotions
NASA Technical Reports Server (NTRS)
Welker, R. W.; Schulman, M.
2001-01-01
Contact transfer of anions from human hands can result in contamination of materials, increasing their rate of corrosion. Two types of hand lotion were applied to the hands: one was specially formulated for cleanroom use and the other was a popular commercial lotion. The effect on contact transfer of anions was measured versus anion transfer from washed hands without lotions.
NASA Astrophysics Data System (ADS)
Winkler, Julie A.; Palutikof, Jean P.; Andresen, Jeffrey A.; Goodess, Clare M.
1997-10-01
Empirical transfer functions have been proposed as a means for `downscaling' simulations from general circulation models (GCMs) to the local scale. However, subjective decisions made during the development of these functions may influence the ensuing climate scenarios. This research evaluated the sensitivity of a selected empirical transfer function methodology to 1) the definition of the seasons for which separate specification equations are derived, 2) adjustments for known departures of the GCM simulations of the predictor variables from observations, 3) the length of the calibration period, 4) the choice of function form, and 5) the choice of predictor variables. A modified version of the Climatological Projection by Model Statistics method was employed to generate control (1 × CO2) and perturbed (2 × CO2) scenarios of daily maximum and minimum temperature for two locations with diverse climates (Alcantarilla, Spain, and Eau Claire, Michigan). The GCM simulations used in the scenario development were from the Canadian Climate Centre second-generation model (CCC GCMII).Variations in the downscaling methodology were found to have a statistically significant impact on the 2 × CO2 climate scenarios, even though the 1 × CO2 scenarios for the different transfer function approaches were often similar. The daily temperature scenarios for Alcantarilla and Eau Claire were most sensitive to the decision to adjust for deficiencies in the GCM simulations, the choice of predictor variables, and the seasonal definitions used to derive the functions (i.e., fixed seasons, floating seasons, or no seasons). The scenarios were less sensitive to the choice of function form (i.e., linear versus nonlinear) and to an increase in the length of the calibration period.The results of Part I, which identified significant departures of the CCC GCMII simulations of two candidate predictor variables from observations, together with those presented here in Part II, 1) illustrate the
Colbert-Luke, Debborah E; Gaspard, Joseph C; Reep, Roger L; Bauer, Gordon B; Dziuk, Kimberly; Cardwell, Adrienne; Mann, David A
2015-02-01
Two experiments investigated the ability and means by which two male Florida manatees (Trichechus manatus latirostris) may determine the direction of a sound source. An eight-choice discrimination paradigm was used to determine the subjects' sound localization abilities of five signal conditions covering a range of frequencies, durations, and levels. Subjects performed above the 12.5% chance level for all broadband frequencies and were able to localize sounds over a large level range. Errors were typically located to either side of the signal source location when presented in the front 180° but were more dispersed when presented from locations behind the subject. Front-to-back confusions were few and accuracy was greater when signals originated from the front 180°. Head-related transfer functions were measured to determine if frequencies were filtered by the manatee body to create frequency-specific interaural level differences (ILDs). ILDs were found for all frequencies as a function of source location, although they were largest with frequencies above 18 kHz and when signals originated to either side of the subjects. Larger ILDs were found when the signals originated behind the subjects. A shadowing-effect produced by the body may explain the relatively low occurrence of front-back confusions in the localization study.
Effects of maturation on tympanometric wideband acoustic transfer functions in human infants1
Sanford, Chris A.; Feeney, M. Patrick
2008-01-01
Wideband acoustic transfer function (ATF) measurements of energy reflectance (ER) and admittance magnitude (∣Y∣) were obtained at varying static ear-canal pressures in 4-, 12-, and 27-week-old infants and young adults. Developmental changes in wideband ATF measurements varied as a function of frequency. For frequencies from 0.25 to 0.75 kHz there was as much as a 30% change in mean ER and ∣Y∣ with changes in static ear-canal pressure between 4 and 24 weeks of age. From 0.75 to 2 kHz, the effects of pressure produced a small number of significant differences in ER and ∣Y∣ with age, suggestive of a developmentally stable frequency range. Between 2 and 6 kHz, there were differential effects of pressure for the youngest infants; negative pressures caused increased ER and ∣Y∣ and positive pressures caused decreased ER and ∣Y∣; the magnitude of this effect decreased with age. Findings from this study demonstrate developmental differences in wideband tympanometric ATF measurements in 4-, 12- and 24-week-old infants and provide additional insight on the effects of static ear-canal pressure in the young infant’s ear. The maturational effects shown in the experimental data are discussed in light of known age-related anatomical changes in the developing outer and middle ear. PMID:19062852
A density functional study of crystalline acetic acid and its proton transfer polymorphic forms
NASA Astrophysics Data System (ADS)
Rovira, Carme; Novoa, Juan J.
2000-11-01
We present a density functional study of the structure and dynamics of solid acetic acid. Our calculations are based on density functional theory combined with molecular dynamics, within the Car-Parrinello scheme. The computed structure of the acetic acid crystal, optimized without symmetry constraints, is in very good agreement with the experiment and reproduces the changes in the intramolecular structure when going from the gas phase to the solid. The cell parameters of the experimental structure are also well reproduced. Cooperative effects along the molecular chains building the crystal are found to be small (1.2 kcal/mol), although larger than it had been previously estimated. The anti conformation of the COOH fragment leads to a stable structure up to 250 K, with an energy of only 3 kcal/mol above that of the known syn form. The energy barrier associated with the most likely pathway for the syn to anti conformations, involving proton transfer along the OH⋯O units (<5.8 kcal/mol) is much smaller than the experimental barrier for the syn/anti isomerism in gas phase and in solution. Intramolecular and intermolecular reorganizations upon change to the anti structure are analyzed. Overall, our results pinpoint the anti form as a good candidate for a possible acetic acid polymorph.
Optimization of a generalized radial-aortic transfer function using parametric techniques.
Akalanli, Cagla; Tay, David; Cameron, James D
2016-10-01
The central aortic blood pressure (cBP) waveform, which is different to that of peripheral locations, is a clinically important parameter for assessing cardiovascular function, however the gold standard for measuring cBP involves invasive catheter-based techniques. The difficulties associated with invasive measurements have given rise to the development of a variety of noninvasive methods. An increasingly applied method for the noninvasive derivation of cBP involves the application of transfer function (TF) techniques to a non-invasively measured radial blood pressure (BP) waveform. The purpose of the current study was to investigate the development of a general parametric model for determination of cBP from tonometrically transduced radial BP waveforms. The study utilized simultaneously measured invasive central aortic and noninvasive radial BP waveform measurements. Data sets were available from 92 subjects, a large cohort for a study of this nature. The output error (OE) model was empirically identified as the most appropriate model structure. A generalized model was developed using a pre-specified derivation cohort and then applied to a validation data set to estimate the recognized features of the cBP waveform. While our results showed that many relevant BP parameters could be derived within acceptable limits, the estimated augmentation index (AI) displayed only a weak correlation compared to the invasively measured value, indicating that any clinical diagnosis or interpretation based on estimated AI should be undertaken with caution. PMID:27591405
Campi, Gaetano; Ciasca, Gabriele; Poccia, Nicola; Ricci, Alessandro; Fratini, Michela; Bianconi, Antonio
2014-01-01
The electrons transfer (ET) from an atom or a molecule, donor (D), to another, acceptor (A) is the basis of many fundamental chemical and physical processes. The ET mechanism is controlled by spatial arrangements of donor and acceptors: it’s the particular spatial arrangement and thus the particular distance and the orientation between the electron donors and acceptors that controls the efficiency in charge separation processes in nature. Here, we stress the importance of this concept reviewing how spatial distribution of atomic and molecular self-assembly can determine the quality and physical features of ET process from biology to material science. In this context, we propose novel lab-on-chip techniques to be used to control spatial distribution of molecules at nanoscale. Synchrotron source brightness jointly to focusing optics fabrication allows one nowadays to monitor and visualize structures with sub-micrometric spatial resolution. This can give us a new powerful tool to set up sophisticated X-ray imaging techniques as well as spectroscopic elemental and chemical mapping to investigate the structure-function relationship controlling the spatial arrangement of the molecules at nanoscale. Finally, we report intriguing recent case studies on the possibility to manipulate and control this spatial distribution and material functionality at nanoscale by using X ray illumination.
Colbert-Luke, Debborah E; Gaspard, Joseph C; Reep, Roger L; Bauer, Gordon B; Dziuk, Kimberly; Cardwell, Adrienne; Mann, David A
2015-02-01
Two experiments investigated the ability and means by which two male Florida manatees (Trichechus manatus latirostris) may determine the direction of a sound source. An eight-choice discrimination paradigm was used to determine the subjects' sound localization abilities of five signal conditions covering a range of frequencies, durations, and levels. Subjects performed above the 12.5% chance level for all broadband frequencies and were able to localize sounds over a large level range. Errors were typically located to either side of the signal source location when presented in the front 180° but were more dispersed when presented from locations behind the subject. Front-to-back confusions were few and accuracy was greater when signals originated from the front 180°. Head-related transfer functions were measured to determine if frequencies were filtered by the manatee body to create frequency-specific interaural level differences (ILDs). ILDs were found for all frequencies as a function of source location, although they were largest with frequencies above 18 kHz and when signals originated to either side of the subjects. Larger ILDs were found when the signals originated behind the subjects. A shadowing-effect produced by the body may explain the relatively low occurrence of front-back confusions in the localization study. PMID:25533765
James Webb Space Telescope segment phasing using differential optical transfer functions
NASA Astrophysics Data System (ADS)
Codona, Johanan L.; Doble, Nathan
2015-04-01
Differential optical transfer function (dOTF) is an image-based, noniterative wavefront sensing method that uses two star images with a single small change in the pupil. We describe two possible methods for introducing the required pupil modification to the James Webb Space Telescope, one using a small (<λ/4) displacement of a single segment's actuator and another that uses small misalignments of the NIRCam's filter wheel. While both methods should work with NIRCam, the actuator method will allow both MIRI and NIRISS to be used for segment phasing, which is a new functionality. Since the actuator method requires only small displacements, it should provide a fast and safe phasing alternative that reduces the mission risk and can be performed frequently for alignment monitoring and maintenance. Since a single actuator modification can be seen by all three cameras, it should be possible to calibrate the non-common-path aberrations between them. Large segment discontinuities can be measured using dOTFs in two filter bands. Using two images of a star field, aberrations along multiple lines of sight through the telescope can be measured simultaneously. Also, since dOTF gives the pupil field amplitude as well as the phase, it could provide a first approximation or constraint to the planned iterative phase retrieval algorithms.
James Webb Space Telescope segment phasing using differential optical transfer functions
Codona, Johanan L.; Doble, Nathan
2015-01-01
Differential optical transfer function (dOTF) is an image-based, noniterative wavefront sensing method that uses two star images with a single small change in the pupil. We describe two possible methods for introducing the required pupil modification to the James Webb Space Telescope, one using a small (<λ/4) displacement of a single segment's actuator and another that uses small misalignments of the NIRCam's filter wheel. While both methods should work with NIRCam, the actuator method will allow both MIRI and NIRISS to be used for segment phasing, which is a new functionality. Since the actuator method requires only small displacements, it should provide a fast and safe phasing alternative that reduces the mission risk and can be performed frequently for alignment monitoring and maintenance. Since a single actuator modification can be seen by all three cameras, it should be possible to calibrate the non-common-path aberrations between them. Large segment discontinuities can be measured using dOTFs in two filter bands. Using two images of a star field, aberrations along multiple lines of sight through the telescope can be measured simultaneously. Also, since dOTF gives the pupil field amplitude as well as the phase, it could provide a first approximation or constraint to the planned iterative phase retrieval algorithms. PMID:27042684
Modulation transfer function for a large-area amorphous silicon image receptor
NASA Astrophysics Data System (ADS)
Earnhart, Jonathan R. D.; Chaney, Edward L.
1997-12-01
The modulation transfer function (MTF) of an amorphous silicon (aSi) sensor array was measured using proper sampling techniques to determine the edge spread function (ESF). The detector under study was a area detector (EG&G Heimann, RTM128) consisting of aSi photodiodes arranged in a square array. Two independent methods for calculating the presampling MTF were implemented, based on finely sampling the ESF measurements produced using 40 kV x-rays from a Faxitron microfocal spot x-ray tube. The two calculations of the detector's presampling MTF are in excellent agreement, and are within 20% at the Nyquist frequency when compared with the ideal MTF based only on the size of the detector elements. ESF measurements were also made at 6 MV on a Siemens MD-2 linear accelerator. A calculation of the system presampling MTF was performed which included effects from the linear accelerator source, the lead block used to create the high contrast edge, and the aSi detector response.
NASA Astrophysics Data System (ADS)
Pedretti, D.; Russian, A.; Sanchez-Vila, X.; Dentz, M.
2016-07-01
We present an investigation of the scale dependence of hydraulic parameters in fractured media based on the concept of transfer functions (TF). TF methods provide an inexpensive way to perform aquifer parameter estimation, as they relate the fluctuations of an observation time series (hydraulic head fluctuations) to an input function (aquifer recharge) in frequency domain. Fractured media are specially sensitive to this approach as hydraulic parameters are strongly scale-dependent, involving nonstationary statistical distributions. Our study is based on an extensive data set, involving up to 130 measurement points with periodic head measurements that in some cases extend for more than 30 years. For each point, we use a single-porosity and dual-continuum TF formulation to obtain a distribution of transmissivities and storativities in both mobile and immobile domains. Single-porosity TF estimates are compared with data obtained from the interpretation of over 60 hydraulic tests (slug and pumping tests). Results show that the TF is able to estimate the scale dependence of the hydraulic parameters, and it is consistent with the behavior of estimates from traditional hydraulic tests. In addition, the TF approach seems to provide an estimation of the system variance and the extension of the ergodic behavior of the aquifer (estimated in approximately 500 m in the analyzed aquifer). The scale dependence of transmissivity seems to be independent from the adopted formulation (single or dual-continuum), while storativity is more sensitive to the presence of multiple continua.
Filatov, Michael; Huix-Rotllant, Miquel; Burghardt, Irene
2015-05-14
State-averaged (SA) variants of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, SA-REKS and state-interaction (SI)-SA-REKS, implement ensemble density functional theory for variationally obtaining excitation energies of molecular systems. In this work, the currently existing version of the SA-REKS method, which included only one excited state into the ensemble averaging, is extended by adding more excited states to the averaged energy functional. A general strategy for extension of the REKS-type methods to larger ensembles of ground and excited states is outlined and implemented in extended versions of the SA-REKS and SI-SA-REKS methods. The newly developed methods are tested in the calculation of several excited states of ground-state multi-reference systems, such as dissociating hydrogen molecule, and excited states of donor–acceptor molecular systems. For hydrogen molecule, the new method correctly reproduces the distance dependence of the lowest excited state energies and describes an avoided crossing between the doubly excited and singly excited states. For bithiophene–perylenediimide stacked complex, the SI-SA-REKS method correctly describes crossing between the locally excited state and the charge transfer excited state and yields vertical excitation energies in good agreement with the ab initio wavefunction methods.
Filatov, Michael; Huix-Rotllant, Miquel; Burghardt, Irene
2015-05-14
State-averaged (SA) variants of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, SA-REKS and state-interaction (SI)-SA-REKS, implement ensemble density functional theory for variationally obtaining excitation energies of molecular systems. In this work, the currently existing version of the SA-REKS method, which included only one excited state into the ensemble averaging, is extended by adding more excited states to the averaged energy functional. A general strategy for extension of the REKS-type methods to larger ensembles of ground and excited states is outlined and implemented in extended versions of the SA-REKS and SI-SA-REKS methods. The newly developed methods are tested in the calculation of several excited states of ground-state multi-reference systems, such as dissociating hydrogen molecule, and excited states of donor-acceptor molecular systems. For hydrogen molecule, the new method correctly reproduces the distance dependence of the lowest excited state energies and describes an avoided crossing between the doubly excited and singly excited states. For bithiophene-perylenediimide stacked complex, the SI-SA-REKS method correctly describes crossing between the locally excited state and the charge transfer excited state and yields vertical excitation energies in good agreement with the ab initio wavefunction methods.
Functional interactions between type IV secretion systems involved in DNA transfer and virulence.
de Paz, Héctor D; Sangari, Félix J; Bolland, Silvia; García-Lobo, Juan M; Dehio, Christoph; de la Cruz, Fernando; Llosa, Matxalen
2005-11-01
This paper reports an analysis of the functional interactions between type IV secretion systems (T4SS) that are part of the conjugative machinery for horizontal DNA transfer (cT4SS), and T4SS involved in bacterial pathogenicity (pT4SS). The authors' previous work showed that a conjugative coupling protein (T4CP) interacts with the VirB10-type component of the T4SS in order to recruit the protein-DNA complex to the transporter for conjugative DNA transfer. This study now shows by two-hybrid analysis that conjugative T4CPs also interact with the VirB10 element of the pT4SS of Agrobacterium tumefaciens (At), Bartonella tribocorum (Bt) and Brucella suis (Bs). Moreover, the VirB10 component of a cT4SS (protein TrwE of plasmid R388) could be partially substituted by that of a pT4SS (protein TrwE of Bt) for conjugation. This result opens the way for the construction of hybrid T4SS that deliver DNA into animal cells. Interestingly, in the presence of part of the Bs T4SS the R388 T4SS protein levels were decreased and R388 conjugation was strongly inhibited. Complementation assays between the Trw systems of R388 and Bt showed that only individual components from the so-called 'core complex' could be exchanged, supporting the concept that this core is the common scaffold for the transport apparatus while the other 'peripheral components' are largely system-specific. PMID:16272374
NASA Astrophysics Data System (ADS)
Havemann, Stephan
2006-12-01
Remote sensing with the new generation of highly spectrally resolving instruments like the Atmospheric Research Interferometer Evaluation System (ARIES) or the assimilation of highly resolved spectra from satellites into Numerical Weather Prediction (NWP) systems requires radiative transfer computations that deliver results essentially instantaneous. This paper reports on the development of such a new fast radiative transfer model. The model is based on an Empirical Orthogonal Functions (EOF) technique. The model can be used for the simulation of sensors with different characteristics and in different spectral ranges from the solar to the infrared. For the purpose of airborne remote sensing, the fast model has been designed to work on any altitude and for slant paths whilst looking down or up. The fast model works for situations with diverse temperature and humidity profiles to an accuracy of better than 0.01K for most of the instrument channels. The EOF fast model works for clear-sky atmospheres and is applicable to atmospheres with scattering layers of aerosols or clouds. The fast model is trained with a large set of diverse atmospheric training profiles. In forward calculations corresponding high resolution spectra are obtained. An EOF analysis is performed on these spectra and only the leading EOF are retained (data compression). When the fast model is applied to a new independent profile, only the weights of the EOF need to be calculated (=predicted). Monochromatic radiances at suitable frequencies are used as predictors. The frequency selection is done by a cluster algorithm, which sorts frequencies with similar characteristics into clusters.
A transfer of functions through derived arbitrary and nonarbitrary stimulus relations
Barnes, Dermot; Keenan, Michael
1993-01-01
During Experiments 1 and 2, subjects were trained in a series of related conditional discriminations in a matching-to-sample format (A1-B1, A1-C1 and A2-B2, A2-C2). A low-rate performance was then explicitly trained in the presence of B1, and a high-rate performance was explicitly trained in the presence of B2. The two types of schedule performance transferred to the C stimuli for all subjects in both experiments, in the absence of explicit reinforcement through equivalence (i.e., C1 = low rate and C2 = high rate). In Experiment 2, it was also shown that these discriminative functions transferred from the C1-C2 stimuli to two novel stimuli that were physically similar to the C stimuli (SC1 and SC2, respectively). For both these experiments, subjects demonstrated the predicted equivalence responding during matching-to-sample equivalence tests. In Experiments 3 and 4, the conditional discrimination training from the first two experiments was modified in that two further conditional discrimination tasks were trained (C1-D1 and C2-D2). However, for these tasks the D stimuli served only as positive comparisons, and ND1 and ND2 stimuli served as negative comparisons (i.e., C1 × ND1 and C2 × ND2). Subsequent to training, the negatively related stimuli (ND1 and ND2) did not become discriminative for the schedule performances explicitly trained in the presence of B1 and B2, respectively. Instead, the ND1 stimulus became discriminative for the schedule performance trained in the presence of B2, and ND2 became discriminative for the schedule performance trained in the presence of B1. All subjects from Experiment 4 showed that the novel stimulus SND1, which was physically similar to ND1, became discriminative for the same response pattern as that controlled by ND1. Similarly, SND2, which was physically similar to ND2, became discriminative for the same response pattern as that controlled by ND2. Subjects from both Experiments 3 and 4 also produced equivalence responding on
Free cholesterol is a potent regulator of lipid transfer protein function
Morton, R.E.
1988-09-05
This study investigates the effect of altered lipoprotein free cholesterol (FC) content on the transfer of cholesteryl ester (CE) and triglyceride (TG) from very low- (VLDL), low- (LDL), and high-(HDL) density lipoproteins by the plasma-derived lipid transfer protein (LTP). The FC content of VLDL and HDL was selectively altered by incubating these lipoproteins with FC/phospholipid dispersions of varying composition. FC-modified lipoproteins were then equilibrated with (3H) TG, (14C)CE-labeled lipoproteins of another class to facilitate the subsequent modification of the radiolabeled donor lipoproteins. LTP was added and the extent of radiolabeled TG and CE transfer determined after 1 h. With either LDL or VLDL as lipid donor, an increase in the FC content of these lipoproteins caused a concentration-dependent inhibition (up to 50%) of CE transfer from these particles, without any significant effect on TG transfer. In contrast, with HDL as donor, increasing the HDL FC content had little effect on CE transfer from HDL, but markedly stimulated (up to 2.5-fold) the transfer of TG. This differential effect of FC on the unidirectional transfer of radiolabeled lipids from VLDL and HDL led to marked effects on LTP-facilitated net mass transfer of lipids. During long-term incubation of a constant amount of LTP with FC-modified VLDL and HDL, the extent of net mass transfer was linearly related to lipoprotein FC content; a 4-fold increase in FC content resulted in a 3-fold stimulation of the CE mass transferred to VLDL, which was coupled to an equimolar, reciprocal transfer of TG mass to HDL. Since lipid transfer between lipoproteins is integral to the process of reverse cholesterol transport, we conclude that lipoprotein FC levels are a potent, positive regulator of the pathways involved in sterol clearance. FC may modulate lipid transfer by altering the availability of CE and TG to LTP at the lipoprotein surface.
Contrast enhancement in dense breast images using the modulation transfer function.
Nunes, Fátima L S; Schiabel, Homero; Benatti, Rodrigo H
2002-12-01
This work proposes a method aimed at enhancing the contrast in dense breast images in mammography. It includes a new preprocessing technique, which uses information on the modulation transfer function (MTF) of the mammographic system in the whole radiation field. The method is applied to improve the efficiency of a computer-aided diagnosis (CAD) scheme. Seventy-five regions of interest (ROIs) from dense mammograms were acquired in two pieces of equipment (a CGR Senographe 500t and a Philips Mammodiagnost) and were digitized in a Lumiscan 50 laser scanner. A computational procedure determines the effective focal spot size in each region of interest from the measured focal spot in the center for a given mammographic equipment. Using computational simulation the MTF is then calculated for each field region. A procedure that enlarges the high-frequency portion of this function is applied and a convolution between the resulting new function and the original image is performed. Both original and enhanced images were submitted to a processing procedure for detecting clustered microcalcifications in order to compare the performance for dense breast images. ROIs were divided into four groups, two for each piece of equipment-one with clustered microcalcifications and another without microcalcifications. Our results show that in about 10% of the enhanced images more signals were detected when compared to the results for the original dense breast images. This is important because the usual processing techniques used in CAD schemes present poor results when applied to dense breast images. Since the MTF method is a well-recognized tool in the evaluation of radiographic systems, this new technique could be used to associate quality assurance procedures with the processing schemes employed in CAD for mammography.
Modulation transfer function determination using the edge technique for cone-beam micro-CT
NASA Astrophysics Data System (ADS)
Rong, Junyan; Liu, Wenlei; Gao, Peng; Liao, Qimei; Lu, Hongbing
2016-03-01
Evaluating spatial resolution is an essential work for cone-beam computed tomography (CBCT) manufacturers, prototype designers or equipment users. To investigate the cross-sectional spatial resolution for different transaxial slices with CBCT, the slanted edge technique with a 3D slanted edge phantom are proposed and implemented on a prototype cone-beam micro-CT. Three transaxial slices with different cone angles are under investigation. An over-sampled edge response function (ERF) is firstly generated from the intensity of the slightly tiled air to plastic edge in each row of the transaxial reconstruction image. Then the oversampled ESF is binned and smoothed. The derivative of the binned and smoothed ERF gives the line spread function (LSF). At last the presampled modulation transfer function (MTF) is calculated by taking the modulus of the Fourier transform of the LSF. The spatial resolution is quantified with the spatial frequencies at 10% MTF level and full-width-half-maximum (FWHM) value. The spatial frequencies at 10% of MTFs are 3.1+/-0.08mm-1, 3.0+/-0.05mm-1, and 3.2+/-0.04mm-1 for the three transaxial slices at cone angles of 3.8°, 0°, and -3.8° respectively. The corresponding FWHMs are 252.8μm, 261.7μm and 253.6μm. Results indicate that cross-sectional spatial resolution has no much differences when transaxial slices being 3.8° away from z=0 plane for the prototype conebeam micro-CT.
NASA Technical Reports Server (NTRS)
Poppendiek, H. F.
1959-01-01
An analytical heat transfer solution is derived and evaluated for the general case of a turbulently flowing liquid metal which suddenly encounters a step-function boundary temperature in a channel system. Local Nusselt moduli, dimensionless mixed-mean fluid temperatures, and arithmetic-mean Nusselt moduli are given as functions of Reynolds and Prandtl moduli and a dimensionless axial-distance modulus. These solutions are compared with known solutions of more specific systems as well as with a set of experimental liquid-metal heat transfer data for a thermal entrance region.
NASA Technical Reports Server (NTRS)
Chase, W. D.
1976-01-01
The use of blue and red color in out-of-window cockpit displays, in full-spectrum calligraphic computer-generated display systems, is studied with attention given to pilot stereographic depth perception and response to visual cues. Displays for vertical approach, with dynamic and frozen-range landing approach and perspective arrays, are analyzed. Pilot transfer function and the transfer function associated with the contrasted approach and perspective arrays are discussed. Out-of-window blue lights are perceived by pilots as indicating greater distance depth, red lights as indicating proximity. The computer-generated chromatic display was adapted to flight simulators for the tests.
Function of donor cell centrosome in intraspecies and interspecies nuclear transfer embryos
Zhong Zhisheng; Zhang Gang; Meng Xiaoqian; Zhang Yanling; Chen Dayuan; Schatten, Heide; Sun Qingyuan . E-mail: sunqy1@yahoo.com
2005-05-15
Centrosomes, the main microtubule-organizing centers (MTOCs) in most animal cells, are important for many cellular activities such as assembly of the mitotic spindle, establishment of cell polarity, and cell movement. In nuclear transfer (NT), MTOCs that are located at the poles of the meiotic spindle are removed from the recipient oocyte, while the centrosome of the donor cell is introduced. We used mouse MII oocytes as recipients, mouse fibroblasts, rat fibroblasts, or pig granulosa cells as donor cells to construct intraspecies and interspecies nuclear transfer embryos in order to observe centrosome dynamics and functions. Three antibodies against centrin, {gamma}-tubulin, and NuMA, respectively, were used to stain the centrosome. Centrin was not detected either at the poles of transient spindles or at the poles of first mitotic spindles. {gamma}-tubulin translocated into the two poles of the transient spindles, while no accumulated {gamma}-tubulin aggregates were detected in the area adjacent to the two pseudo-pronuclei. At first mitotic metaphase, {gamma}-tubulin was translocated to the spindle poles. The distribution of {gamma}-tubulin was similar in mouse intraspecies and rat-mouse interspecies embryos. The NuMA antibody that we used can recognize porcine but not murine NuMA protein, so it was used to trace the NuMA protein of donor cell in reconstructed embryos. In the pig-mouse interspecies reconstructed embryos, NuMA concentrated between the disarrayed chromosomes soon after activation and translocated to the transient spindle poles. NuMA then immigrated into pseudo-pronuclei. After pseudo-pronuclear envelope breakdown, NuMA was located between the chromosomes and then translocated to the spindle poles of first mitotic metaphase. {gamma}-tubulin antibody microinjection resulted in spindle disorganization and retardation of the first cell division. NuMA antibody microinjection also resulted in spindle disorganization. Our findings indicate that (1) the
NASA Astrophysics Data System (ADS)
van Bellen, S.; Mauquoy, D.; Payne, R.; Roland, T. P.; Hughes, P. D.; Daley, T. J.; Street-Perrot, F. A.; Loader, N.
2013-12-01
Testate amoebae have been used extensively as proxies for environmental change and palaeoclimate reconstructions in European and North American peatlands. The presence of these micro-organisms in surface samples is generally significantly linked to the local water table depth (WTD) and preservation of the amoeba shells downcore allows for millennial length water table reconstructions. Peat bog archive records in southern Patagonia are increasingly the focus of palaeoecological research due to the possibility of detecting changes in the Southern Westerlies. These Sphagnum magellanicum-dominated peat bogs are characterised by a wide range of water table depths, from wet hollows to high hummocks (>100 cm above the water table). Here we present the first transfer function for this region along with ~2k-year palaeorecords from local peat bogs. A modern dataset (155 samples) was sampled along transects from five bogs in 2012 and 2013. Measurements of WTD, pH and conductivity were taken for all samples. The transfer function model was based on the 2012 dataset, while the 2013 samples served as an independent test set to validate the model. Besides the standard leave-one-out cross-validation, we applied leave-one-site-out and leave-one transect-out cross-validation, which are effective means of verifying the degree of clustering in the dataset. To ensure that the environmental gradient had been evenly sampled we quantified the root-mean-squared error of prediction (RMSEP) individually for segments of this gradient. Ordinations showed a clear hydrological gradient in amoeba assemblages, with the dominant Assulina muscorum at the dry end and Amphitrema wrightianum and Difflugia globulosa at the wet end. Canonical correspondence analysis showed that WTD was the most important environmental variable, accounting for 18% of the variance in amoeba assemblages. A weighted averaging-partial least squares model showed best performance in cross-validation, using the 2013 data as an
Pseudo-random Spray Release to Measure World-wide Transfer Functions of Cloud Albedo Control.
NASA Astrophysics Data System (ADS)
Salter, Stephen
2010-05-01
Institute for Energy Systems, School of Engineering, University of Edinburgh. S.Salter@ed.ac.uk Previous climate models of Latham's proposal to reverse global warming by using sub-micron sea spray to increase cloud albedo have used a variety of spray patterns. Kettles forced CCN concentration to be 375/cm3 everywhere. Rasch et al used the 20% and 70% most susceptible regions. Bala and Caldeira used an even spread. Jones et al. concentrated spray in the 3.3% oceans with the highest susceptibility All used the same rate through the year. We want to choose a scheme for a climate-modelling experiment designed to identify simultaneously the effects of cloud albedo control at various seasons of the year from spray at all regions of the world on climates of all other regions the world. In particular we want to know seasons and spray places which might have an undesirable effect on precipitation. The spray systems in various regions of a numerical climate model will be modulated on an off with different but known pseudo-random sequences and a selection of seasons. The mean value of the resulting weather records of the parameters of interest, mainly temperature and water run-off, at each region will be subtracted from each value of the record so as to give just the alternating component with an average value of zero. This will be correlated with each of the chosen pseudo-random sequences to give the magnitude and polarity of the effect of a treatment at each input area and selected seasons of the year with the resulting effects on all regions. By doing a time-shifted correlation we can account for phase-shift and time delay. The signal-to-noise ratio should improve with the square root of the analysis time and so we may be able to measure the transfer function with quite a small stimulus. The results of a Mathcad simulation of the process with statistical distributions approximating to natural variations temperature and precipitation show that a single run of a climate
The Transfer Function Model (TFM) as a Tool for Simulating Gravity Wave Phenomena in the Mesosphere
NASA Astrophysics Data System (ADS)
Porter, H.; Mayr, H.; Moore, J.; Wilson, S.; Armaly, A.
2008-12-01
The Transfer Function Model (TFM) is semi-analytical and linear, and it is designed to describe the acoustic gravity waves (GW) propagating over the globe and from the ground to 600 km under the influence of vertical temperature variations. Wave interactions with the flow are not accounted for. With an expansion in terms of frequency-dependent spherical harmonics, the time consuming vertical integration of the conservation equations is reduced to computing the transfer function (TF). (The applied lower and upper boundary conditions assure that spurious wave reflections will not occur.) The TF describes the dynamical properties of the medium divorced from the complexities of the temporal and horizontal variations of the excitation source. Given the TF, the atmospheric response to a chosen source is then obtained in short order to simulate the GW propagating through the atmosphere over the globe. In the past, this model has been applied to study auroral processes, which produce distinct wave phenomena such as: (1) standing lamb modes that propagate horizontally in the viscous medium of the thermosphere, (2) waves generated in the auroral oval that experience geometric amplification propagating to the pole where constructive interference generates secondary waves that propagate equatorward, (3) ducted modes propagating through the middle atmosphere that leak back into the thermosphere, and (4) GWs reflected from the Earth's surface that reach the thermosphere in a narrow propagation cone. Well-defined spectral features characterize these wave modes in the TF to provide analytical understanding. We propose the TFM as a tool for simulating GW in the mesosphere and in particular the features observed in Polar Mesospheric Clouds (PMC). With present-day computers, it takes less than one hour to compute the TF, so that there is virtually no practical limitation on the source configurations that can be applied and tested in the lower atmosphere. And there is no limitation on
Wells, Jered R.; Dobbins, James T.
2012-01-01
Purpose: The modulation transfer function (MTF) of medical imaging devices is commonly reported in the form of orthogonal one-dimensional (1D) measurements made near the vertical and horizontal axes with a slit or edge test device. A more complete description is found by measuring the two-dimensional (2D) MTF. Some 2D test devices have been proposed, but there are some issues associated with their use: (1) they are not generally available; (2) they may require many images; (3) the results may have diminished accuracy; and (4) their implementation may be particularly cumbersome. This current work proposes the application of commonly available 1D test devices for practical and accurate estimation of the 2D presampled MTF of digital imaging systems. Methods: Theory was developed and applied to ensure adequate fine sampling of the system line spread function for 1D test devices at orientations other than approximately vertical and horizontal. Methods were also derived and tested for slit nonuniformity correction at arbitrary angle. Techniques were validated with experimental measurements at ten angles using an edge test object and three angles using a slit test device on an indirect-detection flat-panel system [GE Revolution XQ/i (GE Healthcare, Waukesha, WI)]. The 2D MTF was estimated through a simple surface fit with interpolation based on Delaunay triangulation of the 1D edge-based MTF measurements. Validation by synthesis was also performed with simulated images from a hypothetical direct-detection flat-panel device. Results: The 2D MTF derived from physical measurements yielded an average relative precision error of 0.26% for frequencies below the cutoff (2.5 mm−1) and approximate circular symmetry at frequencies below 4 mm−1. While slit analysis generally agreed with the results of edge analysis, the two showed subtle differences at frequencies above 4 mm−1. Slit measurement near 45° revealed radial asymmetry in the MTF resulting from the square pixel