Accurate measurement method of Fabry-Perot cavity parameters via optical transfer function
Bondu, Francois; Debieu, Olivier
2007-05-10
It is shown how the transfer function from frequency noise to a Pound-Drever-Hall signal for a Fabry-Perot cavity can be used to accurately measure cavity length, cavity linewidth, mirror curvature, misalignments, laser beam shape mismatching with resonant beam shape, and cavity impedance mismatching with respect to vacuum.
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
Kamiya, Atsunori; Kawada, Toru; Shimizu, Shuji; Sugimachi, Masaru
2011-04-01
Although the dynamic characteristics of the baroreflex system have been described by baroreflex transfer functions obtained from open-loop analysis, the predictability of time-series output dynamics from input signals, which should confirm the accuracy of system identification, remains to be elucidated. Moreover, despite theoretical concerns over closed-loop system identification, the accuracy and the predictability of the closed-loop spontaneous baroreflex transfer function have not been evaluated compared with the open-loop transfer function. Using urethane and α-chloralose anaesthetized, vagotomized and aortic-denervated rabbits (n = 10), we identified open-loop baroreflex transfer functions by recording renal sympathetic nerve activity (SNA) while varying the vascularly isolated intracarotid sinus pressure (CSP) according to a binary random (white-noise) sequence (operating pressure ± 20 mmHg), and using a simplified equation to calculate closed-loop-spontaneous baroreflex transfer function while matching CSP with systemic arterial pressure (AP). Our results showed that the open-loop baroreflex transfer functions for the neural and peripheral arcs predicted the time-series SNA and AP outputs from measured CSP and SNA inputs, with r2 of 0.8 ± 0.1 and 0.8 ± 0.1, respectively. In contrast, the closed-loop-spontaneous baroreflex transfer function for the neural arc was markedly different from the open-loop transfer function (enhanced gain increase and a phase lead), and did not predict the time-series SNA dynamics (r2; 0.1 ± 0.1). However, the closed-loop-spontaneous baroreflex transfer function of the peripheral arc partially matched the open-loop transfer function in gain and phase functions, and had limited but reasonable predictability of the time-series AP dynamics (r2, 0.7 ± 0.1). A numerical simulation suggested that a noise predominantly in the neural arc under resting conditions might be a possible mechanism responsible for our findings. Furthermore
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.
Does a pneumotach accurately characterize voice function?
NASA Astrophysics Data System (ADS)
Walters, Gage; Krane, Michael
2016-11-01
A study is presented which addresses how a pneumotach might adversely affect clinical measurements of voice function. A pneumotach is a device, typically a mask, worn over the mouth, in order to measure time-varying glottal volume flow. By measuring the time-varying difference in pressure across a known aerodynamic resistance element in the mask, the glottal volume flow waveform is estimated. Because it adds aerodynamic resistance to the vocal system, there is some concern that using a pneumotach may not accurately portray the behavior of the voice. To test this hypothesis, experiments were performed in a simplified airway model with the principal dimensions of an adult human upper airway. A compliant constriction, fabricated from silicone rubber, modeled the vocal folds. Variations of transglottal pressure, time-averaged volume flow, model vocal fold vibration amplitude, and radiated sound with subglottal pressure were performed, with and without the pneumotach in place, and differences noted. Acknowledge support of NIH Grant 2R01DC005642-10A1.
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
Transfer functions for a single flexible link
Wang, D. ); Vidyasagar, M. )
1991-10-01
This article examines some issues in the transfer function modeling of a single flexible link. Using the assumed-modes approach to represent the elastic deformation, one can find the transfer function between the torque input and the net tip deflection. It is shown here that when the number of modes is increased for more accurate modeling, the relative degree of the transfer function becomes ill defined. This can greatly affect the performance of a controller designed using this model. It is then shown that this problem occurs regardless of the method used to represent the elastic deformation. An alternate modeling approach is proposed that used the rigid body deformations minus the elastic deformations as the output. This solves this problem and results in a transfer function with a well-defined relative degree of two. Simulation results are presented that illustrate the advantages of using the proposed alternate transfer function.
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.
Accurate sperm morphology assessment predicts sperm function.
Abu Hassan Abu, D; Franken, D R; Hoffman, B; Henkel, R
2012-05-01
Sperm morphology has been associated with in vitro as well as in vivo fertilisation. The study aimed to evaluate the possible relation between the percentage of spermatozoa with normal morphology and the following sperm functional assays: (i) zona-induced acrosome reaction (ZIAR); (ii) DNA integrity; (iii) chromatin condensation; (iv) sperm apoptosis; and (v) fertilisation rates. Regression analysis was employed to calculate the association between morphology and different functional tests. Normal sperm morphology correlated significantly with the percentages of live acrosome-reacted spermatozoa in the ZIAR (r = 0.518; P < 0.0001; n = 92), DNA integrity (r = -0.515; P = 0.0018; n = 34), CMA(3) -positive spermatozoa (r = -0.745; P < 0.0001; n = 92), sperm apoptosis (r = -0.395; P = 0.0206; n = 34) and necrosis (r = -0.545; P = 0.0009; n = 34). Negative correlations existed between for the acrosome reaction, and DNA integrity, while negative associations were recorded with the percentages of CMA(3) -positive spermatozoa, apoptotic and necrotic spermatozoa. Sperm morphology is related to sperm dysfunction such as poor chromatin condensation, acrosome reaction and DNA integrity. Negative and significant correlations existed between normal sperm morphology and chromatin condensation, the percentage of spermatozoa with abnormal DNA and spermatozoa with apoptotic activity. The authors do not regard sperm morphology as the only test for the diagnosis of male fertility, but sperm morphology can serve as a valuable indicator of underlying dysfunction.
Calibrating GPS With TWSTFT For Accurate Time Transfer
2008-12-01
and O. Koudelka, 2008, “Time transfer with nanosecond accuracy for the realization of International Atomic Time,” Metrologia , 45, 185- 198. [4] Z...468-475. [7] Z. Jiang, 2008, “Towards a TWSTFT Network Time Transfer,” Metrologia , 45, S6-S11.
Research on measuring optical transfer function
NASA Astrophysics Data System (ADS)
Lu, Shaojun; Zhang, Xiaolin; Guo, Rongli; Xia, Dong; Yu, Jianming; Han, Jun
2010-11-01
Optical transfer function (OTF) of optical system is an important character to show optical system's imaging quality. It is important to accurately obtain the OTF in optical measurement. But traditional methods encountered some difficulties in high-precision measurement. A new approach based on digital image processing technique (DIP) is proposed in this paper. An experiment is done to acquire the image of a pill and a CCD is used to acquire digital images. Optical-electronic focal plane fixing technology is adopted to obtain a more accurate image. Then the images are done by digital image processing, including filtering and Fast Fourier Transform, and the 2-dimension modulated transfer function (MTF) is obtained. The MTF of this detected lens derived from this way is compared with a higher accurate equipment to measure the OTF of the same lens, the results have some differences. The reason is analyzed in this paper. This method will be widely used in optical inspection.
Field Measurement of Head Related Transfer Functions
1990-04-01
HEAD RELATED TRANSFER FUNCTIONS FREDERIC WIGHTMAN, Ph.D. DORIS J. KISTLER, Ph.D. HEARING DEVELOPMENT... function , F the free-field to eardrum transfer function (sometimes called the head - related transfer function , or HRTF), and M the microphone transfer ...into three areas: 1) acoustical measurements of free-field-to-eardrum transfer functions (also called head -relaLed transfer functions , or
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.
Efficient and accurate computation of the incomplete Airy functions
NASA Technical Reports Server (NTRS)
Constantinides, E. D.; Marhefka, R. J.
1993-01-01
The incomplete Airy integrals serve as canonical functions for the uniform ray optical solutions to several high-frequency scattering and diffraction problems that involve a class of integrals characterized by two stationary points that are arbitrarily close to one another or to an integration endpoint. Integrals with such analytical properties describe transition region phenomena associated with composite shadow boundaries. An efficient and accurate method for computing the incomplete Airy functions would make the solutions to such problems useful for engineering purposes. In this paper a convergent series solution for the incomplete Airy functions is derived. Asymptotic expansions involving several terms are also developed and serve as large argument approximations. The combination of the series solution with the asymptotic formulae provides for an efficient and accurate computation of the incomplete Airy functions. Validation of accuracy is accomplished using direct numerical integration data.
Accurate perception of negative emotions predicts functional capacity in schizophrenia.
Abram, Samantha V; Karpouzian, Tatiana M; Reilly, James L; Derntl, Birgit; Habel, Ute; Smith, Matthew J
2014-04-30
Several studies suggest facial affect perception (FAP) deficits in schizophrenia are linked to poorer social functioning. However, whether reduced functioning is associated with inaccurate perception of specific emotional valence or a global FAP impairment remains unclear. The present study examined whether impairment in the perception of specific emotional valences (positive, negative) and neutrality were uniquely associated with social functioning, using a multimodal social functioning battery. A sample of 59 individuals with schizophrenia and 41 controls completed a computerized FAP task, and measures of functional capacity, social competence, and social attainment. Participants also underwent neuropsychological testing and symptom assessment. Regression analyses revealed that only accurately perceiving negative emotions explained significant variance (7.9%) in functional capacity after accounting for neurocognitive function and symptoms. Partial correlations indicated that accurately perceiving anger, in particular, was positively correlated with functional capacity. FAP for positive, negative, or neutral emotions were not related to social competence or social attainment. Our findings were consistent with prior literature suggesting negative emotions are related to functional capacity in schizophrenia. Furthermore, the observed relationship between perceiving anger and performance of everyday living skills is novel and warrants further exploration.
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.
Combining MFD and PIE for accurate single-pair Förster resonance energy transfer measurements.
Kudryavtsev, Volodymyr; Sikor, Martin; Kalinin, Stanislav; Mokranjac, Dejana; Seidel, Claus A M; Lamb, Don C
2012-03-01
Single-pair Förster resonance energy transfer (spFRET) experiments using single-molecule burst analysis on a confocal microscope are an ideal tool to measure inter- and intramolecular distances and dynamics on the nanoscale. Different techniques have been developed to maximize the amount of information available in spFRET burst analysis experiments. Multiparameter fluorescence detection (MFD) is used to monitor a variety of fluorescence parameters simultaneously and pulsed interleaved excitation (PIE) employs direct excitation of the acceptor to probe its presence and photoactivity. To calculate accurate FRET efficiencies from spFRET experiments with MFD or PIE, several calibration measurements are usually required. Herein, we demonstrate that by combining MFD with PIE information regarding all calibration factors as well as an accurate determination of spFRET histograms can be performed in a single measurement. In addition, the quality of overlap of the different detection volumes as well as the detection of acceptor photophysics can be investigated with MFD-PIE. Bursts containing acceptor photobleaching can be identified and excluded from further investigation while bursts that contain FRET dynamics are unaffected by this analysis. We have employed MFD-PIE to accurately analyze the effects of nucleotides and substrate on the interdomain separation in DnaK, the major bacterial heat shock protein 70 (Hsp70). The interdomain distance increases from 47 Å in the ATP-bound state to 84 Å in the ADP-bound state and slightly contracts to 77 Å when a substrate is bound. This is in contrast to what was observed for the mitochondrial member of the Hsp70s, Ssc1, supporting the notion of evolutionary specialization of Hsp70s for different cellular functions in different organisms and cell organelles.
A novel approach for accurate radiative transfer in cosmological hydrodynamic simulations
NASA Astrophysics Data System (ADS)
Petkova, Margarita; Springel, Volker
2011-08-01
We present a numerical implementation of radiative transfer based on an explicitly photon-conserving advection scheme, where radiative fluxes over the cell interfaces of a structured or unstructured mesh are calculated with a second-order reconstruction of the intensity field. The approach employs a direct discretization of the radiative transfer equation in Boltzmann form with adjustable angular resolution that, in principle, works equally well in the optically-thin and optically-thick regimes. In our most general formulation of the scheme, the local radiation field is decomposed into a linear sum of directional bins of equal solid angle, tessellating the unit sphere. Each of these 'cone fields' is transported independently, with constant intensity as a function of the direction within the cone. Photons propagate at the speed of light (or optionally using a reduced speed of light approximation to allow larger time-steps), yielding a fully time-dependent solution of the radiative transfer equation that can naturally cope with an arbitrary number of sources, as well as with scattering. The method casts sharp shadows, subject to the limitations induced by the adopted angular resolution. If the number of point sources is small and scattering is unimportant, our implementation can alternatively treat each source exactly in angular space, producing shadows whose sharpness is only limited by the grid resolution. A third hybrid alternative is to treat only a small number of the locally most luminous point sources explicitly, with the rest of the radiation intensity followed in a radiative diffusion approximation. We have implemented the method in the moving-mesh code AREPO, where it is coupled to the hydrodynamics in an operator-splitting approach that subcycles the radiative transfer alternately with the hydrodynamical evolution steps. We also discuss our treatment of basic photon sink processes relevant to cosmological reionization, with a chemical network that can
Accurate Computation of Divided Differences of the Exponential Function,
1983-06-01
differences are not for arbitrary smooth functions f but for well known analytic functions such as exp. sin and cos. Thus we can exploit their properties in...have a bad name in practice. However in a number of applications the functional form of f is known (e.g. exp) and can be exploited to obtain accurate...n do X =s(1) s(1)=d(i) For j=2.....-1 do11=t, (j) z=Y next j next i SS7 . (Shift back and stop.] ,-tt+77. d(i).-e"d(i), s(i-1)’e~ s(i-i) for i=2
Comparisons of power transfer functions and flow transfer functions in EBR-II
Grimm, K.N.; Meneghetti, D.
1987-01-01
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.
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
Combining heterogeneous data sources for accurate functional annotation of proteins
2013-01-01
Combining heterogeneous sources of data is essential for accurate prediction of protein function. The task is complicated by the fact that while sequence-based features can be readily compared across species, most other data are species-specific. In this paper, we present a multi-view extension to GOstruct, a structured-output framework for function annotation of proteins. The extended framework can learn from disparate data sources, with each data source provided to the framework in the form of a kernel. Our empirical results demonstrate that the multi-view framework is able to utilize all available information, yielding better performance than sequence-based models trained across species and models trained from collections of data within a given species. This version of GOstruct participated in the recent Critical Assessment of Functional Annotations (CAFA) challenge; since then we have significantly improved the natural language processing component of the method, which now provides performance that is on par with that provided by sequence information. The GOstruct framework is available for download at http://strut.sourceforge.net. PMID:23514123
Vibrational transfer functions for complex structures
NASA Technical Reports Server (NTRS)
Jones, P. A.; Berry, R. L.
1972-01-01
Evaluation of effects of vibrational multiple frequency forcing functions is discussed. Computer program for developing vibrational transfer functions is described. Possible applications of computer program are enumerated.
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.
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.
The spatiotemporal transfer function of the Limulus lateral eye
1978-01-01
The dynamics of the Limulus retina may be well described by the spatiotemporal transfer function, which measures the response of the eye to moving sinusoidal gratings. We consider a model for this system, which incorporates an excitatory generator potential, and self- and lateral inhibitory processes. Procedures are described which allow estimation of parameters for the model consistent with the empirical transfer function data. Transfer functions calculated from the model show good agreement with laboratory measurements, and may be used to predict accurately the response of the eye to arbitrary moving stimuli. The model allows convenient interpretation of the transfer function measurements in terms of physiological processes which underly the response of the Limulus retina. PMID:211177
Filtering Non-Linear Transfer Functions on Surfaces.
Heitz, Eric; Nowrouzezahrai, Derek; Poulin, Pierre; Neyret, Fabrice
2013-07-18
Applying non-linear transfer functions and look-up tables to procedural functions (such as noise), surface attributes, or even surface geometry are common strategies used to enhance visual detail. As with any textured or geometric detail, proper filtering is needed to reduce aliasing when viewed across a range of distances, but accurate and efficient transfer function filtering remains an open problem for several reasons: transfer functions are complex and non-linear, especially when mapped through procedural noise and/or geometry-dependent functions. We accurately solve this problem by computing and sampling from specialized filtering distributions on the fly, yielding very fast performance. We investigate the case where the transfer function to filter is a color map applied to surface textures, as well as color maps applied according to (microscale) geometric details. We introduce a novel representation of a (potentially modulated) color map's distribution over pixel footprints using Gaussian statistics and, in the more complex case of high-resolution color mapped microsurface details, our filtering is view- and light-dependent, and capable of correctly handling masking and occlusion effects. Our approach can be generalized to filter other physical-based rendering quantities. Our framework is also compatible with the case of transfer functions used to warp surface geometry.
Accurate Time/Frequency Transfer Method Using Bi-Directional WDM Transmission
NASA Technical Reports Server (NTRS)
Imaoka, Atsushi; Kihara, Masami
1996-01-01
An accurate time transfer method is proposed using b-directional wavelength division multiplexing (WDM) signal transmission along a single optical fiber. This method will be used in digital telecommunication networks and yield a time synchronization accuracy of better than 1 ns for long transmission lines over several tens of kilometers. The method can accurately measure the difference in delay between two wavelength signals caused by the chromatic dispersion of the fiber in conventional simple bi-directional dual-wavelength frequency transfer methods. We describe the characteristics of this difference in delay and then show that the accuracy of the delay measurements can be obtained below 0.1 ns by transmitting 156 Mb/s times reference signals of 1.31 micrometer and 1.55 micrometers along a 50 km fiber using the proposed method. The sub-nanosecond delay measurement using the simple bi-directional dual-wavelength transmission along a 100 km fiber with a wavelength spacing of 1 nm in the 1.55 micrometer range is also shown.
Development of highly accurate approximate scheme for computing the charge transfer integral
NASA Astrophysics Data System (ADS)
Pershin, Anton; Szalay, Péter G.
2015-08-01
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.
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.
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.
Accurate van der Waals coefficients from density functional theory
Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn
2012-01-01
The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765
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.
Towards a more accurate van der Waals density functional
NASA Astrophysics Data System (ADS)
Hamada, Ikutaro
2014-03-01
The van der Waals density functional (vdW-DF) of Dion et al. [1] has attracted considerable attention, because the functional is able to describe intra- and intermolecular bondings with different natures, e.g., covalent and van der Waals bondings in a seamless fashion within the framework of density functional theory. However, the accuracy of the functional is yet to be improved for the applications to various systems. Here I propose an exchange functional for the second version of vdW-DF [2], which improves the accuracy of vdW-DF. The keys in the improved exchange are the matching to the gradient expansion approximation in the slowly varying limit and the large density gradient behavior set in Becke's exchange (B86b)[3]. Systematic study on gas phase molecules, solids, and molecular adsorption demonstrates the applicability of the proposed functional to a wide variety of materials.
Development of a Fast and Accurate PCRTM Radiative Transfer Model in the Solar Spectral Region
NASA Technical Reports Server (NTRS)
Liu, Xu; Yang, Qiguang; Li, Hui; Jin, Zhonghai; Wu, Wan; Kizer, Susan; Zhou, Daniel K.; Yang, Ping
2016-01-01
A fast and accurate principal component-based radiative transfer model in the solar spectral region (PCRTMSOLAR) has been developed. The algorithm is capable of simulating reflected solar spectra in both clear sky and cloudy atmospheric conditions. Multiple scattering of the solar beam by the multilayer clouds and aerosols are calculated using a discrete ordinate radiative transfer scheme. The PCRTM-SOLAR model can be trained to simulate top-of-atmosphere radiance or reflectance spectra with spectral resolution ranging from 1 cm(exp -1) resolution to a few nanometers. Broadband radiances or reflectance can also be calculated if desired. The current version of the PCRTM-SOLAR covers a spectral range from 300 to 2500 nm. The model is valid for solar zenith angles ranging from 0 to 80 deg, the instrument view zenith angles ranging from 0 to 70 deg, and the relative azimuthal angles ranging from 0 to 360 deg. Depending on the number of spectral channels, the speed of the current version of PCRTM-SOLAR is a few hundred to over one thousand times faster than the medium speed correlated-k option MODTRAN5. The absolute RMS error in channel radiance is smaller than 10(exp -3) mW/cm)exp 2)/sr/cm(exp -1) and the relative error is typically less than 0.2%.
Development of a fast and accurate PCRTM radiative transfer model in the solar spectral region.
Liu, Xu; Yang, Qiguang; Li, Hui; Jin, Zhonghai; Wu, Wan; Kizer, Susan; Zhou, Daniel K; Yang, Ping
2016-10-10
A fast and accurate principal component-based radiative transfer model in the solar spectral region (PCRTM-SOLAR) has been developed. The algorithm is capable of simulating reflected solar spectra in both clear sky and cloudy atmospheric conditions. Multiple scattering of the solar beam by the multilayer clouds and aerosols are calculated using a discrete ordinate radiative transfer scheme. The PCRTM-SOLAR model can be trained to simulate top-of-atmosphere radiance or reflectance spectra with spectral resolution ranging from 1 cm^{-1} resolution to a few nanometers. Broadband radiances or reflectance can also be calculated if desired. The current version of the PCRTM-SOLAR covers a spectral range from 300 to 2500 nm. The model is valid for solar zenith angles ranging from 0 to 80 deg, the instrument view zenith angles ranging from 0 to 70 deg, and the relative azimuthal angles ranging from 0 to 360 deg. Depending on the number of spectral channels, the speed of the current version of PCRTM-SOLAR is a few hundred to over one thousand times faster than the medium speed correlated-k option MODTRAN5. The absolute RMS error in channel radiance is smaller than 10^{-3} mW/cm^{2}/sr/cm^{-1} and the relative error is typically less than 0.2%.
Wiener filter estimation of transfer functions.
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 allow reliable transfer function determination under a much wider class of reinforcement schedules. Implications of expanding the possible form of experimental design are considered along with improvements in the fidelity of resulting predictions. PMID:15357511
Application of transfer functions to canned tuna fish thermal processing.
Ansorena, M R; del Valle, C; Salvadori, V O
2010-02-01
Design and optimization of thermal processing of foods need accurate dynamic models to ensure safe and high quality food products. Transfer functions had been demonstrated to be a useful tool to predict thermal histories, especially under variable operating conditions. This work presents the development and experimental validation of a dynamic model (discrete transfer function) for the thermal processing of tuna fish in steam retorts. Transfer function coefficients were obtained numerically, using commercial software of finite elements (COMSOL Multiphysics) to solve the heat transfer balance. Dependence of transfer function coefficients on the characteristic dimensions of cylindrical containers (diameter and height) and on the sampling interval is reported. A simple equation, with two empirical parameters that depends on the container dimensions, represented the behavior of transfer function coefficients with very high accuracy. Experimental runs with different size containers and different external conditions (constant and variable retort temperature) were carried out to validate the developed methodology. Performance of the thermal process simulation was tested for predicting internal product temperature of the cold point and lethality and very satisfactory results were found. The developed methodology can play an important role in reducing the computational effort while guaranteeing accuracy by simplifying the calculus involved in the solution of heat balances with variable external conditions and emerges as a potential approach to the implementation of new food control strategies leading not only to more efficient processes but also to product quality and safety.
Predicting transfer performance: a comparison of competing function learning models.
McDaniel, Mark A; Dimperio, Eric; Griego, Jacqueline A; Busemeyer, Jerome R
2009-01-01
The population of linear experts (POLE) model suggests that function learning and transfer are mediated by activation of a set of prestored linear functions that together approximate the given function (Kalish, Lewandowsky, & Kruschke, 2004). In the extrapolation-association (EXAM) model, an exemplar-based architecture associates trained input values with their paired output values. Transfer incorporates a linear rule-based response mechanism (McDaniel & Busemeyer, 2005). Learners were trained on a functional relationship defined by 2 linear-function segments with mirror slopes. In Experiment 1, 1 segment was densely trained and 1 was sparsely trained; in Experiment 2, both segments were trained equally, but the 2 segments were widely separated. Transfer to new input values was tested. For each model, training performance for each individual participant was fit, and transfer predictions were generated. POLE generally better fit the training data than did EXAM, but EXAM was more accurate at predicting (and fitting) transfer behaviors. It was especially telling that in Experiment 2 the transfer pattern was more consistent with EXAM's but not POLE's predictions, even though the presentation of salient linear segments during training dovetailed with POLE's approach.
Functional check of telescoping transfer pumps
Sharpe, C.L.
1994-04-29
Activities are defined which constitute a functional check of a telescoping transfer pump (TTP). This report is written to the Procedures group of HLW and particularly applies to those TTP`s which are the sole means of emergency transfer from a HLW waste tank.
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.
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.
A correction to a highly accurate voight function algorithm
NASA Technical Reports Server (NTRS)
Shippony, Z.; Read, W. G.
2002-01-01
An algorithm for rapidly computing the complex Voigt function was published by Shippony and Read. Its claimed accuracy was 1 part in 10^8. It was brought to our attention by Wells that Shippony and Read was not meeting its claimed accuracy for extremely small but non zero y values. Although true, the fix to the code is so trivial to warrant this note for those who use this algorithm.
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.
NASA Astrophysics Data System (ADS)
Pontoppidan, Klaus
Based on the observed distributions of exoplanets and dynamical models of their evolution, the primary planet-forming regions of protoplanetary disks are thought to span distances of 1-20 AU from typical stars. A key observational challenge of the next decade will be to understand the links between the formation of planets in protoplanetary disks and the chemical composition of exoplanets. Potentially habitable planets in particular are likely formed by solids growing within radii of a few AU, augmented by unknown contributions from volatiles formed at larger radii of 10-50 AU. The basic chemical composition of these inner disk regions is characterized by near- to far-infrared (2-200 micron) emission lines from molecular gas at temperatures of 50-1500 K. A critical step toward measuring the chemical composition of planet-forming regions is therefore to convert observed infrared molecular line fluxes, profiles and images to gas temperatures, densities and molecular abundances. However, current techniques typically employ approximate radiative transfer methods and assumptions of local thermodynamic equilibrium (LTE) to retrieve abundances, leading to uncertainties of orders of magnitude and inconclusive comparisons to chemical models. Ultimately, the scientific impact of the high quality spectroscopic data expected from the James Webb Space Telescope (JWST) will be limited by the availability of radiative transfer tools for infrared molecular lines. We propose to develop a numerically accurate, non-LTE 3D line radiative transfer code, needed to interpret mid-infrared molecular line observations of protoplanetary and debris disks in preparation for the James Webb Space Telescope (JWST). This will be accomplished by adding critical functionality to the existing Monte Carlo code LIME, which was originally developed to support (sub)millimeter interferometric observations. In contrast to existing infrared codes, LIME calculates the exact statistical balance of arbitrary
Determination of accurate, mean bond lengths from radial distribution functions
NASA Astrophysics Data System (ADS)
Sukhomlinov, Sergey V.; Müser, Martin H.
2017-01-01
The mean bond length d between a central atom and its nearest neighbors can be estimated from the position of the first peak in the radial distribution function g(r). However, as we demonstrate here, this estimate does not allow one to deduce temperature-induced changes in d. Instead, skewness has to be included into the analysis, which can be achieved, for example, via the skew normal distribution (SND). Fits to the first peak using the SND give bond length in good agreement with direct measurements of nearest-neighbor distribution functions in crystals as well as with a Voronoi-tessellation based detection of nearest-neighbors in liquids. While the location of the first peak in g(r) may shift to smaller values with increasing temperature for three studied liquids—argon, copper, and the bulk-metallic-glass (BMG) forming alloy Zr60Cu30Al10—we find our improved estimates of d to systematically increase with temperature in all cases. Recent conclusions on temperature-induced bond contractions in simple metallic or BMG-forming liquids may therefore have arisen from the neglect of skewness effects.
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.
Deterministic transfer function for transionospheric propagation
NASA Astrophysics Data System (ADS)
Roussel-Dupre, R.; Argo, P.
Recent interest in ground-to-satellite propagation of broadband signals has prompted investigation into the development of a transfer function for the ionosphere that includes effects such as dispersion, refraction, changes in polarization, reflection, absorption, and scattering. Depending on the application (e.g. geolocation), it may be necessary to incorporate all of these processes in order to extract the information of interest from the measured transionospheric signal. A transfer function for midlatitudes at VBF from 25 - 175 MHz is one of the goals of the BLACKBEARD program in characterizing propagation distortion. In support of this program we discuss in this paper an analytic model for the deterministic transfer function of the ionosphere that includes the effects of dispersion, refraction, and changes in polarization to second order in the parameter X = omega(sub pe)(exp 2)/(omega)(exp 2) where X is assumed to be small compared to one, (omega)(sub pe) is the peak plasma frequency of the ionosphere, and omega is the wave frequency. Analytic expressions for the total phase change, group delay, and polarization change in a spherical geometry assuming a radial, electron density profile are presented. A computer code ITF (Ionospheric Transfer Function) that makes use of the ICED (Ionospheric Conductivity and Electron Density) model to, venerate electron density profiles was developed to calculate the ionospheric transfer function along a specified transmitter-to-receiver path. Details of this code will be presented as well as comparisons made between ITF analytic results and ray-tracing calculations.
NASA Astrophysics Data System (ADS)
Qiao, Yao-Bin; Qi, Hong; Zhao, Fang-Zhou; Ruan, Li-Ming
2016-12-01
Reconstructing the distribution of optical parameters in the participating medium based on the frequency-domain radiative transfer equation (FD-RTE) to probe the internal structure of the medium is investigated in the present work. The forward model of FD-RTE is solved via the finite volume method (FVM). The regularization term formatted by the generalized Gaussian Markov random field model is used in the objective function to overcome the ill-posed nature of the inverse problem. The multi-start conjugate gradient (MCG) method is employed to search the minimum of the objective function and increase the efficiency of convergence. A modified adjoint differentiation technique using the collimated radiative intensity is developed to calculate the gradient of the objective function with respect to the optical parameters. All simulation results show that the proposed reconstruction algorithm based on FD-RTE can obtain the accurate distributions of absorption and scattering coefficients. The reconstructed images of the scattering coefficient have less errors than those of the absorption coefficient, which indicates the former are more suitable to probing the inner structure. Project supported by the National Natural Science Foundation of China (Grant No. 51476043), the Major National Scientific Instruments and Equipment Development Special Foundation of China (Grant No. 51327803), and the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (Grant No. 51121004).
Fast and accurate techniques of treating the radiative transfer problem under cloudy conditions
NASA Astrophysics Data System (ADS)
Efremenko, Dmitry; Doicu, Adrian; Trautmann, Thomas; Loyola, Diego
As a massive amount of spectral information is expected from the new generation of European atmospheric sensors Sentinel 5 Precursor, Sentinel 4 and Sentinel 5, a fast processing of the data in the UV-VIS spectral domain, is required. Trace gas retrievals from nadir sounding instruments are hindered by the presence of clouds. Our research is focused on the developing of a robust and accurate algorithm for treating clouds in the radiative transfer models (RTM). For this reason we have implemented an acceleration technique based on dimensionality reduction algorithms. We obtained the speed improvement of about 8 times. For operational reasons clouds can be considered as an optically homogeneous layer. In the independent pixel approximation, radiative transfer computations involving cloudy scenes require two separate calls to the RTM, one call for a clear sky scenario, the other for an atmosphere containing clouds. We present two novel methods for RTM performance enhancement with particular application to trace gas retrievals under cloudy conditions. Both methods are based on reusing results from clear-sky RTM calculations to speed up corresponding calculations for the cloud-filled scenario. Also, for satellite instruments with a high spatial resolution, it is important to account for the sub-pixel cloud inhomogeneities, or at least, to assess their effect on the radiances at the top of the atmosphere, and in particular, on the retrieval results. This assessment is probabilistic since the detailed structure of the clouds is unknown and only a small number of statistical properties are given. In this regard, we have designed a stochastic model for the solar radiation problem and a molecular atmosphere with its underlying surface. The model allows the computation of the mean radiance at the top of the atmosphere as it is intended to be used for trace gas retrievals. The efficiency of the stochastic model is lower, because we have to solve a two-dimensional problem
Seeking maximum linearity of transfer functions
NASA Astrophysics Data System (ADS)
Silva, Filipi N.; Comin, Cesar H.; Costa, Luciano da F.
2016-12-01
Linearity is an important and frequently sought property in electronics and instrumentation. Here, we report a method capable of, given a transfer function (theoretical or derived from some real system), identifying the respective most linear region of operation with a fixed width. This methodology, which is based on least squares regression and systematic consideration of all possible regions, has been illustrated with respect to both an analytical (sigmoid transfer function) and a simple situation involving experimental data of a low-power, one-stage class A transistor current amplifier. Such an approach, which has been addressed in terms of transfer functions derived from experimentally obtained characteristic surface, also yielded contributions such as the estimation of local constants of the device, as opposed to typically considered average values. The reported method and results pave the way to several further applications in other types of devices and systems, intelligent control operation, and other areas such as identifying regions of power law behavior.
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.
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.
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…
Deterministic transfer function for transionospheric propagation
Roussel-Dupre, R.; Argo, P.
1992-01-01
Recent interest in ground-to-satellite propagation of broadband signals has prompted investigation into the development of a transfer function for the ionosphere that includes effects such as dispersion, refraction, changes in polarization, reflection, absorption, and scattering. Depending on the application (e.g. geolocation), it may be necessary to incorporate all of these processes in order to extract the information of interest from the measured transionospheric signal. A transfer function for midlatitudes at VBF from 25--175 MHz is one of the goals of the BLACKBEARD program in characterizing propagation distortion. In support of this program we discuss in this paper an analytic model for the deterministic transfer function of the ionosphere that includes the effects of dispersion, refraction, and changes in polarization to second order in the parameter X = {omega}{sub pe}{sup 2}/{omega}{sup 2} where X is assumed to be small compared to one, {omega}{sub pe} is the peak plasma frequency of the ionosphere, and {omega} is the wave frequency. Analytic expressions for the total phase change, group delay, and polarization change in a spherical geometry assuming a radial, electron density profile are presented. A computer code ITF (Ionospheric Transfer Function) that makes use of the ICED (Ionospheric Conductivity and Electron Density) model to ,venerate electron density profiles was developed to calculate the ionospheric transfer function along a specified transmitter-to-receiver path. Details of this code will be presented as well as comparisons made between ITF analytic results and ray-tracing calculations.
Deterministic transfer function for transionospheric propagation
Roussel-Dupre, R.; Argo, P.
1992-09-01
Recent interest in ground-to-satellite propagation of broadband signals has prompted investigation into the development of a transfer function for the ionosphere that includes effects such as dispersion, refraction, changes in polarization, reflection, absorption, and scattering. Depending on the application (e.g. geolocation), it may be necessary to incorporate all of these processes in order to extract the information of interest from the measured transionospheric signal. A transfer function for midlatitudes at VBF from 25--175 MHz is one of the goals of the BLACKBEARD program in characterizing propagation distortion. In support of this program we discuss in this paper an analytic model for the deterministic transfer function of the ionosphere that includes the effects of dispersion, refraction, and changes in polarization to second order in the parameter X = {omega}{sub pe}{sup 2}/{omega}{sup 2} where X is assumed to be small compared to one, {omega}{sub pe} is the peak plasma frequency of the ionosphere, and {omega} is the wave frequency. Analytic expressions for the total phase change, group delay, and polarization change in a spherical geometry assuming a radial, electron density profile are presented. A computer code ITF (Ionospheric Transfer Function) that makes use of the ICED (Ionospheric Conductivity and Electron Density) model to ,venerate electron density profiles was developed to calculate the ionospheric transfer function along a specified transmitter-to-receiver path. Details of this code will be presented as well as comparisons made between ITF analytic results and ray-tracing calculations.
Thin film heat flux sensors for accurate transient and unidirectional heat transfer analysis
NASA Astrophysics Data System (ADS)
Azerou, B.; Garnier, B.; Lahmar, J.
2012-11-01
Heat flux measurement is needed in many heat transfer studies. For the best unbiased heat flux sensors (HFS), the heat flux is obtained using temperature measurements at different locations and also an inverse heat conduction method (function specification...) in order to calculate the heat flux. Systematic errors can come from the uncertainty in the wire thermocouples locations and from errors in the knowledge of distances between two consecutive wire thermocouples. The main idea in this work is to use thin film thermoresistances deposited on a flexible thin polymer substrate instead of wire thermocouples welded on metallic sample. The interest of using thin film thermoresistances instead of wire thermocouples is a lower disturbance due to the smaller thickness of the thin film sensors (typically less than 1μm) and a much better knowledge of the distances between the different thin film thermoresistances which are precisely defined in the mask used for the metallic thin film pattern fabrication. In this paper, we present the fabrication of the new heat flux sensor with thin film thermoresistances, the study of the effect of the self heating (due to Joule effect in thermoresistances) and the performances of this new HFS with the comparison with classical HFS using wire thermocouples. For this study, a symmetric experimental setup is used with metallic samples equipped with an etched foil heater and both classical and new HFS. For several heating conditions, it appears that a better accuracy is always obtained with the new HFS using thin film thermoresistances.
Analytic functions fit to proton transfer potentials
NASA Astrophysics Data System (ADS)
Duan, Xiaofeng; Scheiner, Steve
1992-07-01
Proton transfer potentials are traced out in (H 2OH 2OH +OH 2OH 2) and (H 3NH 3NH +NH 3NH 3) by ab initio computations for a series of different H-bond lengths. Attempts are then made to fit these quantum mechanical results by various forms of analytic functions. Best results are achieved by a pair of Morse functions with correlation coefficients in excess of 0.997. The numerical values of the Morse parameters are fairly insensitive to H-bond length, allowing their use in more general situations. The Φ 4 function and its related fourth-order polynomial also fit well, but the parameters are much more sensitive to H-bond length. Gaussian-type functions or a Lippincott—Schroeder potential do not fit as well and a sinusoidal function gives rather poor agreement with the quantum mechanical results.
Filtering Non-Linear Transfer Functions on Surfaces.
Heitz, Eric; Nowrouzezahrai, Derek; Poulin, Pierre; Neyret, Fabrice
2014-07-01
Applying non-linear transfer functions and look-up tables to procedural functions (such as noise), surface attributes, or even surface geometry are common strategies used to enhance visual detail. Their simplicity and ability to mimic a wide range of realistic appearances have led to their adoption in many rendering problems. As with any textured or geometric detail, proper filtering is needed to reduce aliasing when viewed across a range of distances, but accurate and efficient transfer function filtering remains an open problem for several reasons: transfer functions are complex and non-linear, especially when mapped through procedural noise and/or geometry-dependent functions, and the effects of perspective and masking further complicate the filtering over a pixel's footprint. We accurately solve this problem by computing and sampling from specialized filtering distributions on the fly, yielding very fast performance. We investigate the case where the transfer function to filter is a color map applied to (macroscale) surface textures (like noise), as well as color maps applied according to (microscale) geometric details. We introduce a novel representation of a (potentially modulated) color map's distribution over pixel footprints using Gaussian statistics and, in the more complex case of high-resolution color mapped microsurface details, our filtering is view- and light-dependent, and capable of correctly handling masking and occlusion effects. Our approach can be generalized to filter other physical-based rendering quantities. We propose an application to shading with irradiance environment maps over large terrains. Our framework is also compatible with the case of transfer functions used to warp surface geometry, as long as the transformations can be represented with Gaussian statistics, leading to proper view- and light-dependent filtering results. Our results match ground truth and our solution is well suited to real-time applications, requires only a few
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.
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
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 calculation of Green functions on the d-dimensional hypercubic lattice
NASA Astrophysics Data System (ADS)
Loh, Yen Lee
2011-07-01
We write the Green function of the d-dimensional hypercubic lattice in a piecewise form covering the entire real frequency axis. Each piece is a single integral involving modified Bessel functions of the first and second kinds. The smoothness of the integrand allows both real and imaginary parts of the Green function to be computed quickly and accurately for any dimension d and any real frequency, and the computational time scales only linearly with d.
Pressure Transfer Functions for Interfacial Fluids Problems
NASA Astrophysics Data System (ADS)
Chen, Robin Ming; Hur, Vera Mikyoung; Walsh, Samuel
2017-03-01
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.
Schottky Noise and Beam Transfer Functions
Blaskiewicz, M.
2016-12-01
Beam transfer functions (BTF)s encapsulate the stability properties of charged particle beams. In general one excites the beam with a sinusoidal signal and measures the amplitude and phase of the beam response. Most systems are very nearly linear and one can use various Fourier techniques to reduce the number of measurements and/or simulations needed to fully characterize the response. Schottky noise is associated with the finite number of particles in the beam. This signal is always present. Since the Schottky current drives wakefields, the measured Schottky signal is influenced by parasitic impedances.
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.
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.
Chanan, G; Troy, M
1999-11-01
We derive the Strehl ratio for a segmented mirror telescope as a function of the rms segment phase error and the observing wavelength, with and without the effects of the atmosphere. A simple analytical expression is given for the atmosphere-free case. Although our specific results are in the context of the Keck telescope, they are presented in a way that should be readily adaptable to other segmented geometries. We also derive the corresponding modulation transfer functions. These results are useful in determining how accurately a segmented mirror telescope needs to be phased for a variety of observing applications.
5 CFR 359.608 - Transfer of function.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 5 Administrative Personnel 1 2011-01-01 2011-01-01 false Transfer of function. 359.608 Section 359... SENIOR EXECUTIVE SERVICE; GUARANTEED PLACEMENT IN OTHER PERSONNEL SYSTEMS Removal of Career Appointees as a Result of Reduction in Force § 359.608 Transfer of function. (a) Transfer of function means...
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.
Material-specific transfer function model and SNR in CT
NASA Astrophysics Data System (ADS)
Brunner, Claudia C.; Kyprianou, Iacovos S.
2013-10-01
This study presents an analytical model for the edge spread function (ESF) of a clinical CT system that allows reliable fits of noisy ESF data. The model was used for the calculation of the material-specific transfer function TF and an estimation of the signal transfer and the signal-to-noise ratio (SNR) in 2D. Images of the Catphan phantom were acquired with a clinical Siemens Somatom Sensation Cardiac 64 CT scanner combining four different x-ray tube outputs (40, 150, 250 and 350 mAs) with four different reconstruction filters, which covered the range from very smooth (B10s) to very sharp (B70s). The images of the high- and mid-contrast cylinders of the phantom’s ‘Geometry and Sensitometry’ module (air, Teflon, Delrin and PMP) were used to sample material-specific ESF curves. The ESF curves were fitted with the analytical model we developed based on a linear combination of Boltzmann and Gaussian functions. The analytical model of the ESF was used to obtain the Fourier-based material-specific transfer function TF, as well as the spatial-domain point spread function (PSF). TF was subsequently used to estimate the signal transfer, which was compared to the actual reconstructed image of a 3.0 mm diameter Teflon pin. The noise power spectrum (NPS) was calculated from images of a uniform water phantom under the same technique parameters. The task-specific SNR was calculated for all technique parameters from the model-based TF, the measured NPS and simulated 3 mm diameter disc signals modeling the aforementioned materials. Bootstrapping was performed to estimate the standard deviation of the TF and the SNR. The analytical model we developed accurately captured the features of the CT ESF data. The coefficient of determination R2, a metric that describes the goodness of the fit, had a median value of 0.9995, and decreased for low tube output, low contrast and the sharp reconstruction filter. Our analysis showed that ESF, PSF and TF depended not only on the
NASA Technical Reports Server (NTRS)
Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.
2016-01-01
A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.
Modulation transfer functions at Ka band
NASA Astrophysics Data System (ADS)
Hesany, Vahid; Sistani, Bita; Salam, Asif; Haimov, Samuel; Gogineni, Prasad; Moore, Richard K.
The modulation transfer function (MTF) is often used to describe the modulation of the radar signal by the long waves. MTFs were measured at 35 GHz (Ka band) with a switched-beam vector slope gauge/scatterometer on the research platform NORDSEE as part of the SAXON-FPN experiment. Three independent measurements of the scattering were available for each height measurement. This provided the opportunity to average the time series to reduce the effects of fading noise and sea spikes, or, alternatively, to append the time series to achieve more degrees of freedom in the spectral estimates. For upwind measurements, the phase of the VV-polarized Ka-band MTF was always positive, which implies that the maximum of the radar return originates from the forward face of the long-scale waves. This phase increases with increasing wind speed. The magnitude of the MTF decreases with increasing wind speed.
A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies
2014-01-01
We show that an Ng bridge function modified version of the three-dimensional reference interaction site model (3D-RISM-NgB) solvation free energy method can accurately predict the hydration free energy (HFE) of a set of 504 organic molecules. To achieve this, a single unique constant parameter was adjusted to the computed HFE of single atom Lennard-Jones solutes. It is shown that 3D-RISM is relatively accurate at predicting the electrostatic component of the HFE without correction but requires a modification of the nonpolar contribution that originates in the formation of the cavity created by the solute in water. We use a free energy functional with the Ng scaling of the direct correlation function [Ng, K. C. J. Chem. Phys.1974, 61, 2680]. This produces a rapid, reliable small molecule HFE calculation for applications in drug design. PMID:24634616
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
Localization using nonindividualized head-related transfer functions
NASA Astrophysics Data System (ADS)
Wenzel, Elizabeth M.; Arruda, Marianne; Kistler, Doris J.; Wightman, Frederic L.
1993-07-01
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.
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)
Evaluation of transfer functions in spatially structured environments
NASA Astrophysics Data System (ADS)
Telford, R. J.; Birks, H. J. B.
2009-06-01
Transfer function training set sites close to each other tend to have similar species assemblages and environmental conditions in both oceanic and terrestrial data sets. This is unremarkable, but as this lack of independence between sites violates the assumptions of many statistical tests, it has severe consequences for transfer function evaluation, possibly resulting in inappropriate model choice and misleading and over-optimistic estimates of a transfer function's performance. In this paper, we develop a simple graphical method to test if spatial autocorrelation affects a training set, develop a Monte Carlo geostatistical simulation as a null model to test the significance of transfer functions in autocorrelated environments, and introduce a cross-validation scheme that is more robust to autocorrelation. We use these tests to show that some recently-published transfer functions have no predictive power, and strongly recommend the use of these tests to make transfer functions more robust to autocorrelation.
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.
Second-order temporal modulation transfer functions.
Lorenzi, C; Soares, C; Vonner, T
2001-08-01
Detection thresholds were measured for a sinusoidal modulation applied to the modulation depth of a sinusoidally amplitude-modulated (SAM) white noise carrier as a function of the frequency of the modulation applied to the modulation depth (referred to as f'm). The SAM noise acted therefore as a "carrier" stimulus of frequency fm, and sinusoidal modulation of the SAM-noise modulation depth generated two additional components in the modulation spectrum: fm-f'm and fm+f'm. The tracking variable was the modulation depth of the sinusoidal variation applied to the "carrier" modulation depth. The resulting "second-order" temporal modulation transfer functions (TMTFs) measured on four listeners for "carrier" modulation frequencies fm of 16, 64, and 256 Hz display a low-pass segment followed by a plateau. This indicates that sensitivity to fluctuations in the strength of amplitude modulation is best for fluctuation rates f'm below about 2-4 Hz when using broadband noise carriers. Measurements of masked modulation detection thresholds for the lower and upper modulation sideband suggest that this capacity is possibly related to the detection of a beat in the sound's temporal envelope. The results appear qualitatively consistent with the predictions of an envelope detector model consisting of a low-pass filtering stage followed by a decision stage. Unlike listeners' performance, a modulation filterbank model using Q values > or = 2 should predict that second-order modulation detection thresholds should decrease at high values of f'm due to the spectral resolution of the modulation sidebands (in the modulation domain). This suggests that, if such modulation filters do exist, their selectivity is poor. In the latter case, the Q value of modulation filters would have to be less than 2. This estimate of modulation filter selectivity is consistent with the results of a previous study using a modulation-masking paradigm [S. D. Ewert and T. Dau, J. Acoust. Soc. Am. 108, 1181
Proposed transfer-function technique for earphone analysis
NASA Astrophysics Data System (ADS)
Russotti, J. S.; Santoro, T.; Haskell, G. B.; Neal, R.
1985-06-01
This research was prompted by the need to select a suitable headset for auditory processing of passive-sonar information. The selection of an accurate transducer for auditory processing of passive sonar signals requires accurate measurement of frequency response. No standard for such measurement exists. The method proposed here uses a modified Zwislocki acoustic coupler mounted in an anthropometrically and acoustically average mannikin, KEMAR, in order to simulate the acoustic load that an average human ear would place on the earphone element. A computerized signal-collection and -analysis system substracted this transfer function from stored earphone-response data. Responses were averaged across samples of left and right earphone elements and across repeated measurements that sampled variability due to headset placement, seal around the ear, and headband tension. Analog plots of earphone frequency response were indistinguishable from computer regenerated plots of that same frequency response. Comparison of raw data and corrected data show the correction procedure to be within 0.2 dB of perfect accuracy.
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.
Testate amoeba transfer function performance along localised hydrological gradients.
Tsyganov, Andrey N; Mityaeva, Olga A; Mazei, Yuri A; Payne, Richard J
2016-09-01
Testate amoeba transfer functions are widely used for reconstruction of palaeo-hydrological regime in peatlands. However, the limitations of this approach have become apparent with increasing attention to validation and assessing sources of uncertainty. This paper investigates effects of peatland type and sampling depth on the performance of a transfer function using an independent test-set from four Sphagnum-dominated sites in European Russia (Penza Region). We focus on transfer function performance along localised hydrological gradients, which is a useful analogue for predictive ability through time. The performance of the transfer function with the independent test-set was generally weaker than for the leave-one-out or bootstrap cross-validations. However, the transfer function was robust for the reconstruction of relative changes in water-table depth, provided the presence of good modern analogues and overlap in water-table depth ranges. When applied to subsurface samples, the performance of the transfer function was reduced due to selective decomposition, the presence of deep-dwelling taxa or vertical transfer of shells. Our results stress the importance of thorough testing of transfer functions, and highlight the role of taphonomic processes in determining results. Further studies of stratification, taxonomy and taphonomy of testate amoebae will be needed to improve the robustness of transfer function output.
An accurate solution of elastodynamic problems by numerical local Green's functions
NASA Astrophysics Data System (ADS)
Loureiro, F. S.; Silva, J. E. A.; Mansur, W. J.
2015-09-01
Green's function based methodologies for elastodynamics in both time and frequency domains, which can be either numerical or analytical, appear in many branches of physics and engineering. Thus, the development of exact expressions for Green's functions is of great importance. Unfortunately, such expressions are known only for relatively few kinds of geometry, medium and boundary conditions. In this way, due to the difficulty in finding exact Green's functions, specially in the time domain, the present paper presents a solution of the transient elastodynamic equations by a time-stepping technique based on the Explicit Green's Approach method written in terms of the Green's and Step response functions, both being computed numerically by the finite element method. The major feature is the computation of these functions separately by the central difference time integration scheme and locally owing to the principle of causality. More precisely, Green's functions are computed only at t = Δt adopting two time substeps while Step response functions are computed directly without substeps. The proposed time-stepping method shows to be quite accurate with distinct numerical properties not presented in the standard central difference scheme as addressed in the numerical example.
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.
NASA Astrophysics Data System (ADS)
Mighell, K. J.
2004-12-01
I describe the key features of my MATPHOT algorithm for accurate and precise stellar photometry and astrometry using discrete Point Spread Functions. A discrete Point Spread Function (PSF) is a sampled version of a continuous two-dimensional PSF. The shape information about the photon scattering pattern of a discrete PSF is typically encoded using a numerical table (matrix) or a FITS image file. The MATPHOT algorithm shifts discrete PSFs within an observational model using a 21-pixel-wide damped sinc function and position partial derivatives are computed using a five-point numerical differentiation formula. The MATPHOT algorithm achieves accurate and precise stellar photometry and astrometry of undersampled CCD observations by using supersampled discrete PSFs that are sampled 2, 3, or more times more finely than the observational data. I have written a C-language computer program called MPD which is based on the current implementation of the MATPHOT algorithm; all source code and documentation for MPD and support software is freely available at the following website: http://www.noao.edu/staff/mighell/matphot . I demonstrate the use of MPD and present a detailed MATPHOT analysis of simulated James Webb Space Telescope observations which demonstrates that millipixel relative astrometry and millimag photometric accuracy is achievable with very complicated space-based discrete PSFs. This work was supported by a grant from the National Aeronautics and Space Administration (NASA), Interagency Order No. S-13811-G, which was awarded by the Applied Information Systems Research (AISR) Program of NASA's Science Mission Directorate.
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.
NASA Astrophysics Data System (ADS)
Janesko, Benjamin G.; Proynov, Emil
2017-02-01
Density functional approximations (DFAs) often suffer from self-repulsion and delocalization errors which are reduced by exact (Hartree-Fock-like) exchange admixture. Oyeyemi and co-workers recently showed that several DFAs with little exact exchange incorrectly predict bent alkynyl radical geometries, giving errors in ab initio composite methods using density functional theory geometries [V. B. Oyeyemi et al., J. Phys. Chem. Lett. 3, 289 (2012)]. We show that the simple Hartree-Fock-Slater and Xα DFAs, which have substantial delocalization error, predict linear alkynyl radical geometries without incorporating exact exchange. Our Rung 3.5 DFAs, and rescaled generalized gradient approximations, can give either linear σ, bent σ -π , or nearly linear π radicals, all without incorporating exact exchange. This highlights the complexity of delocalization error, the utility of accurate empirical DFA geometries for ab initio composite methods, and the insights to be gained from Rung 3.5 DFAs.
Brandenburg, Jan Gerit; Grimme, Stefan
2014-06-05
The ambitious goal of organic crystal structure prediction challenges theoretical methods regarding their accuracy and efficiency. Dispersion-corrected density functional theory (DFT-D) in principle is applicable, but the computational demands, for example, to compute a huge number of polymorphs, are too high. Here, we demonstrate that this task can be carried out by a dispersion-corrected density functional tight binding (DFTB) method. The semiempirical Hamiltonian with the D3 correction can accurately and efficiently model both solid- and gas-phase inter- and intramolecular interactions at a speed up of 2 orders of magnitude compared to DFT-D. The mean absolute deviations for interaction (lattice) energies for various databases are typically 2-3 kcal/mol (10-20%), that is, only about two times larger than those for DFT-D. For zero-point phonon energies, small deviations of <0.5 kcal/mol compared to DFT-D are obtained.
NASA Astrophysics Data System (ADS)
Buda, I. G.; Lane, C.; Barbiellini, B.; Ruzsinszky, A.; Sun, J.; Bansil, A.
2017-03-01
We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functional for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.
Buda, I. G.; Lane, C.; Barbiellini, B.; Ruzsinszky, A.; Sun, J.; Bansil, A.
2017-01-01
We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functional for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally. PMID:28333131
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.
Characterizing short-term stability for Boolean networks over any distribution of transfer functions
Seshadhri, C.; Smith, Andrew M.; Vorobeychik, Yevgeniy; ...
2016-07-05
Here we present a characterization of short-term stability of random Boolean networks under arbitrary distributions of transfer functions. Given any distribution of transfer functions for a random Boolean network, we present a formula that decides whether short-term chaos (damage spreading) will happen. We provide a formal proof for this formula, and empirically show that its predictions are accurate. Previous work only works for special cases of balanced families. Finally, it has been observed that these characterizations fail for unbalanced families, yet such families are widespread in real biological networks.
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
A Bayesian geostatistical transfer function approach to tracer test analysis
NASA Astrophysics Data System (ADS)
Fienen, Michael N.; Luo, Jian; Kitanidis, Peter K.
2006-07-01
Reactive transport modeling is often used in support of bioremediation and chemical treatment planning and design. There remains a pressing need for practical and efficient models that do not require (or assume attainable) the high level of characterization needed by complex numerical models. We focus on a linear systems or transfer function approach to the problem of reactive tracer transport in a heterogeneous saprolite aquifer. Transfer functions are obtained through the Bayesian geostatistical inverse method applied to tracer injection histories and breakthrough curves. We employ nonparametric transfer functions, which require minimal assumptions about shape and structure. The resulting flexibility empowers the data to determine the nature of the transfer function with minimal prior assumptions. Nonnegativity is enforced through a reflected Brownian motion stochastic model. The inverse method enables us to quantify uncertainty and to generate conditional realizations of the transfer function. Complex information about a hydrogeologic system is distilled into a relatively simple but rigorously obtained function that describes the transport behavior of the system between two wells. The resulting transfer functions are valuable in reactive transport models based on traveltime and streamline methods. The information contained in the data, particularly in the case of strong heterogeneity, is not overextended but is fully used. This is the first application of Bayesian geostatistical inversion to transfer functions in hydrogeology but the methodology can be extended to any linear system.
NASA Astrophysics Data System (ADS)
Kharchenko, V. A.; Lewkow, N.; Gacesa, M.
2014-12-01
Formation and evolution of neutral fluxes of atoms and molecules escaping from the Mars atmosphere have been investigated for the sputtering and photo-chemical mechanisms. Energy and momentum transfer in collisions between the atmospheric gas and fast atoms and molecules have been considered using our recently obtained angular and energy dependent cross sections[1]. We have showed that accurate angular dependent collision cross sections are critical for the description of the energy relaxation of precipitating keV energetic ions/ENAs and for computations of altitude profiles of the fast atom and molecule production rates in recoil collisions. Upward and escape fluxes of the secondary energetic He and O atoms and H2, N2, CO and CO2 molecules, induced by precipitating ENAs, have been determined and their non-thermal energy distribution functions have been computed at different altitudes for different solar conditions. Precipitation and energy deposition of the energetic H2O molecules and products of their dissociations into the Mars atmosphere in the Comet C/2013 A1 (Siding Spring) - Mars interaction have been modeled using accurate cross sections. Reflection of precipitating ENAs by the Mars atmosphere has been analyzed in detail. [1] N. Lewkow and V. Kharchenko, "Precipitation of Energetic Neutral Atoms and Escape Fluxes induced from the Mars Atmosphere, ApJ, v.790, p.98 (2014).
Schütt, Heiko H; Harmeling, Stefan; Macke, Jakob H; Wichmann, Felix A
2016-05-01
The psychometric function describes how an experimental variable, such as stimulus strength, influences the behaviour of an observer. Estimation of psychometric functions from experimental data plays a central role in fields such as psychophysics, experimental psychology and in the behavioural neurosciences. Experimental data may exhibit substantial overdispersion, which may result from non-stationarity in the behaviour of observers. Here we extend the standard binomial model which is typically used for psychometric function estimation to a beta-binomial model. We show that the use of the beta-binomial model makes it possible to determine accurate credible intervals even in data which exhibit substantial overdispersion. This goes beyond classical measures for overdispersion-goodness-of-fit-which can detect overdispersion but provide no method to do correct inference for overdispersed data. We use Bayesian inference methods for estimating the posterior distribution of the parameters of the psychometric function. Unlike previous Bayesian psychometric inference methods our software implementation-psignifit 4-performs numerical integration of the posterior within automatically determined bounds. This avoids the use of Markov chain Monte Carlo (MCMC) methods typically requiring expert knowledge. Extensive numerical tests show the validity of the approach and we discuss implications of overdispersion for experimental design. A comprehensive MATLAB toolbox implementing the method is freely available; a python implementation providing the basic capabilities is also available.
SIFTER search: a web server for accurate phylogeny-based protein function prediction
Sahraeian, Sayed M.; Luo, Kevin R.; Brenner, Steven E.
2015-01-01
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.
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
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.
Localization using nonindividualized head-related transfer functions.
Wenzel, E M; Arruda, M; Kistler, D J; Wightman, F L
1993-07-01
A recent development in human-computer interfaces is the virtual acoustic display, a device that synthesizes three-dimensional, spatial auditory information over headphones using digital filters constructed from head-related transfer functions (HRTFs). The utility of such a display depends on the accuracy with which listeners can localize virtual sound sources. A previous study [F. L. Wightman and D. J. Kistler, J. Acoust. Soc. Am. 85, 868-878 (1989)] observed accurate localization by listeners for free-field sources and for virtual sources generated from the subjects' own HRTFs. In practice, measurement of the HRTFs of each potential user of a spatial auditory display may not be feasible. Thus, a critical research question is whether listeners can obtain adequate localization cues from stimuli based on nonindividualized transforms. Here, inexperienced listeners judged the apparent direction (azimuth and elevation) of wideband noisebursts presented in the free-field or over headphones; headphone stimuli were synthesized using HRTFs from a representative subject of Wightman and Kistler. When confusions were resolved, localization of virtual sources was quite accurate and comparable to the free-field sources for 12 of the 16 subjects. Of the remaining subjects, 2 showed poor elevation accuracy in both stimulus conditions, and 2 showed degraded elevation accuracy with virtual sources. Many of the listeners also showed high rates of front-back and up-down confusions that increased significantly for virtual sources compared to the free-field stimuli. These data 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.
Montoya-Castillo, Andrés; Reichman, David R
2017-02-28
The ability to efficiently and accurately calculate equilibrium time correlation functions of many-body condensed phase quantum systems is one of the outstanding problems in theoretical chemistry. The Nakajima-Zwanzig-Mori formalism coupled to the self-consistent solution of the memory kernel has recently proven to be highly successful for the computation of nonequilibrium dynamical averages. Here, we extend this formalism to treat symmetrized equilibrium time correlation functions for the spin-boson model. Following the first paper in this series [A. Montoya-Castillo and D. R. Reichman, J. Chem. Phys. 144, 184104 (2016)], we use a Dyson-type expansion of the projected propagator to obtain a self-consistent solution for the memory kernel that requires only the calculation of normally evolved auxiliary kernels. We employ the approximate mean-field Ehrenfest method to demonstrate the feasibility of this approach. Via comparison with numerically exact results for the correlation function Czz(t)=Re⟨σz(0)σz(t)⟩, we show that the current scheme affords remarkable boosts in accuracy and efficiency over bare Ehrenfest dynamics. We further explore the sensitivity of the resulting dynamics to the choice of kernel closures and the accuracy of the initial canonical density operator.
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.
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.
Cluster abundance in chameleon f(R) gravity I: toward an accurate halo mass function prediction
NASA Astrophysics Data System (ADS)
Cataneo, Matteo; Rapetti, David; Lombriser, Lucas; Li, Baojiu
2016-12-01
We refine the mass and environment dependent spherical collapse model of chameleon f(R) gravity by calibrating a phenomenological correction inspired by the parameterized post-Friedmann framework against high-resolution N-body simulations. We employ our method to predict the corresponding modified halo mass function, and provide fitting formulas to calculate the enhancement of the f(R) halo abundance with respect to that of General Relativity (GR) within a precision of lesssim 5% from the results obtained in the simulations. Similar accuracy can be achieved for the full f(R) mass function on the condition that the modeling of the reference GR abundance of halos is accurate at the percent level. We use our fits to forecast constraints on the additional scalar degree of freedom of the theory, finding that upper bounds competitive with current Solar System tests are within reach of cluster number count analyses from ongoing and upcoming surveys at much larger scales. Importantly, the flexibility of our method allows also for this to be applied to other scalar-tensor theories characterized by a mass and environment dependent spherical collapse.
Predicting Transfer Performance: A Comparison of Competing Function Learning Models
ERIC Educational Resources Information Center
McDaniel, Mark A.; Dimperio, Eric; Griego, Jacqueline A.; Busemeyer, Jerome R.
2009-01-01
The population of linear experts (POLE) model suggests that function learning and transfer are mediated by activation of a set of prestored linear functions that together approximate the given function (Kalish, Lewandowsky, & Kruschke, 2004). In the extrapolation-association (EXAM) model, an exemplar-based architecture associates trained input…
Efficient methods for finding transfer function zeros of power systems
Martins, N.; Pinto, H.J.C.P. ); Lima, L.T.G. )
1992-08-01
This paper is probably the first to describe algorithms suited to the efficient calculation of both proper and non-proper transfer function zeros of linearized dynamic models for large interconnected power systems. The paper also describes an improvement to the well known AESOPS algorithm, formulating it as an exact transfer function zero finding problem which is efficiently solved by a Newton-Raphson iterative scheme. Large power system results are presented in this paper.
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
Introduction to the Subjective Transfer Function Approach to Analyzing Systems.
1984-07-01
STANDARtDS- 1963-A R-3021-AF Intoduction to the Subjective Transfer Function Approach to Analyzing Systems 00 • CO Lf. Clairice T. Veit, Monti Callero ...34Prepared for the United States Air Force." Bibliography: p. • "R-3021-AF." 1. Subjective transfer function method. 2. System analysis. I. Callero , Monti...to Analyzing Systems T, Clairice T. Veit, Monti Callero , Barbara J. Rose July 1984 A Project AIR FORCE report prepared for the - United States Air
Sun, Y Y; Kim, Yong-Hyun; Lee, Kyuho; Zhang, S B
2008-10-21
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.
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.
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
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.
Forward and reverse transfer function model synthesis
NASA Technical Reports Server (NTRS)
Houghton, J. R.
1985-01-01
A process for synthesizing a mathematical model for a linear mechanical system using the forward and reverse Fourier transform functions is described. The differential equation for a system model is given. The Bode conversion of the differential equation, and the frequency and time-domain optimization matching of the model to the forward and reverse transform functions using the geometric simplex method of Nelder and Mead (1965) are examined. The effect of the window function on the linear mechanical system is analyzed. The model is applied to two examples; in one the signal damps down before the end of the time window and in the second the signal has significant energy at the end of the time window.
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.
Hammer, Rubi; Cooke, Gillian E.; Stein, Mark A.; Booth, James R.
2015-01-01
Finding neurobiological markers for neurodevelopmental disorders, such as attention deficit and hyperactivity disorder (ADHD), is a major objective of clinicians and neuroscientists. We examined if functional Magnetic Resonance Imaging (fMRI) data from a few distinct visuospatial working memory (VSWM) tasks enables accurately detecting cases with ADHD. We tested 20 boys with ADHD combined type and 20 typically developed (TD) boys in four VSWM tasks that differed in feedback availability (feedback, no-feedback) and reward size (large, small). We used a multimodal analysis based on brain activity in 16 regions of interest, significantly activated or deactivated in the four VSWM tasks (based on the entire participants' sample). Dimensionality of the data was reduced into 10 principal components that were used as the input variables to a logistic regression classifier. fMRI data from the four VSWM tasks enabled a classification accuracy of 92.5%, with high predicted ADHD probability values for most clinical cases, and low predicted ADHD probabilities for most TDs. This accuracy level was higher than those achieved by using the fMRI data of any single task, or the respective behavioral data. This indicates that task-based fMRI data acquired while participants perform a few distinct VSWM tasks enables improved detection of clinical cases. PMID:26509111
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.
Parametric dependence of ocean wave-radar modulation transfer functions
NASA Technical Reports Server (NTRS)
Plant, W. J.; Keller, W. C.; Cross, A.
1983-01-01
Microwave techniques at X and L band were used to determine the dependence of ocean-wave radar modulation transfer functions (MTFs) on various environmental and radar parameters during the Marine Remote Sensing experiment of 1979 (MARSEN 79). These MIF are presented, as are coherence functions between the AM and FM parts of the backscattered microwave signal. It is shown that they both depend on several of these parameters. Besides confirming many of the properties of transfer functions reported by previous authors, indications are found that MTFs decrease with increasing angle between wave propagation and antenna-look directions but are essentially independent of small changes in air-sea temperature difference. However, coherence functions are much smaller when the antennas are pointed perpendicular to long waves. It is found that X band transfer functions measured with horizontally polarized microwave radiation have larger magnitudes than those obtained by using vertical polarization.
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.
Gunaydin, Hakan; Acevedo, Orlando; Jorgensen, William L; Houk, K N
2007-05-01
The energetics of methyl-transfer reactions from dimethylammonium, tetramethylammonium, and trimethylsulfonium to dimethylamine were computed with density functional theory, MP2, CBS-QB3, and quantum mechanics/molecular mechanics (QM/MM) Monte Carlo methods. At the CBS-QB3 level, the gas-phase activation enthalpies are computed to be 9.9, 15.3, and 7.9 kcal/mol, respectively. MP2/6-31+G(d,p) activation enthalpies are in best agreement with the CBS-QB3 results. The effects of aqueous solvation on these reactions were studied with polarizable continuum model, generalized Born/surface area (GB/SA), and QM/MM Monte Carlo simulations utilizing free-energy perturbation theory in which the PDDG/PM3 semiempirical Hamiltonian for the QM and explicit TIP4P water molecules in the MM region were used. In the aqueous phase, all of these reactions proceed more slowly when compared to the gas phase, since the charged reactants are stabilized more than the transition structure geometries with delocalized positive charges. In order to obtain the aqueous-phase activation free energies, the gas-phase activation free energies were corrected with the solvation free energies obtained from single-point conductor-like polarizable continuum model and GB/SA calculations for the stationary points along the reaction coordinate.
Förster-Induced Energy Transfer in Functionalized Graphene
2014-01-01
Carbon nanostructures are ideal substrates for functionalization with molecules since they consist of a single atomic layer giving rise to an extraordinary sensitivity to changes in their surrounding. The functionalization opens a new research field of hybrid nanostructures with tailored properties. Here, we present a microscopic view on the substrate–molecule interaction in the exemplary hybrid material consisting of graphene functionalized with perylene molecules. First experiments on similar systems have been recently realized illustrating an extremely efficient transfer of excitation energy from adsorbed molecules to the carbon substrate, a process with a large application potential for high-efficiency photovoltaic devices and biomedical imaging and sensing. So far, there has been no microscopically founded explanation for the observed energy transfer. Based on first-principle calculations, we have explicitly investigated the different transfer mechanisms revealing the crucial importance of Förster coupling. Due to the efficient Coulomb interaction in graphene, we obtain strong Förster rates in the range of 1/fs. We investigate its dependence on the substrate–molecule distance R and describe the impact of the momentum transfer q for an efficient energy transfer. Furthermore, we find that the Dexter transfer mechanism is negligibly small due to the vanishing overlap between the involved strongly localized orbital functions. The gained insights are applicable to a variety of carbon-based hybrid nanostructures. PMID:24808936
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
2014-09-04
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.
Mackie, Iain D; Dilabio, Gino A
2010-06-21
B971, PBE and PBE1 density functionals with 6-31G(d) basis sets are shown to accurately describe the binding in dispersion bound dimers. This is achieved through the use of dispersion-correcting potentials (DCPs) in conjunction with counterpoise corrections. DCPs resemble and are applied like conventional effective core potentials that can be used with most computational chemistry programs without code modification. Rather, DCPs are implemented by simple appendage to the input files for these types of programs. Binding energies are predicted to within ca. 11% and monomer separations to within ca. 0.06 A of high-level wavefunction data using B971/6-31G(d)-DCP. Similar results are obtained for PBE and PBE1 with the 6-31G(d) basis sets and DCPs. Although results found using the 3-21G(d) are not as impressive, they never-the-less show promise as a means of initial study for a wide variety of dimers, including those dominated by dispersion, hydrogen-bonding and a mixture of interactions. Notable improvement is found in comparison to M06-2X/6-31G(d) data, e.g., mean absolute deviations for the S22-set of dimers of ca. 13.6 and 16.5% for B971/6-31G(d)-DCP and M06-2X, respectively. However, it should be pointed out that the latter data were obtained using a larger integration grid size since a smaller grid results in different binding energies and geometries for simple dispersion-bound dimers such as methane and ethene.
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.
Feedback simulation of ramped power transients using transfer functions
Grimm, K.N.; Meneghetti, D.
1986-01-01
The dynamic simulation of reactor transients is important in determining the feedback and temperature responses of various subassembly components. One method of determining component feedbacks (or associated temperature increments) is by using the feedback reactivity transfer functions of the system. For any variation of power with time the component feedback reactivity responses are then obtained by the convolutions of the feedback reactivity transfer functions and the fractional change in system power. (The nodal feedback reactivity transfer functions for the system were obtained, using the EROS computer code, from nodal feedback responses for a step change in power.) This paper discusses the application of these transfer functions in calculating nodal feedback reactivities in the experimental breeder reactor-II (EBR-II) reactor assuming a fractional power shape that can be defined by a series of ramp inputs. For a comparison, these transfer-function calculated nodal reactivities are compared with nodal reactivities calculated using the EROS kinetics code assuming an input reactivity which gives the described ramp power shape.
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.
Optical transfer function optimization based on linear expansions
NASA Astrophysics Data System (ADS)
Schwiegerling, Jim
2015-09-01
The Optical Transfer Function (OTF) and its modulus the Modulation Transfer Function (MTF) are metrics of optical system performance. However in system optimization, calculation times for the OTF are often substantially longer than more traditional optimization targets such as wavefront error or transverse ray error. The OTF is typically calculated as either the autocorrelation of the complex pupil function or as the Fourier transform of the Point Spread Function. We recently demonstrated that the on-axis OTF can be represented as a linear combination of analytical functions where the weighting terms are directly related to the wavefront error coefficients and apodization of the complex pupil function. Here, we extend this technique to the off-axis case. The expansion technique offers a potential for accelerating OTF optimization in lens design, as well as insight into the interaction of aberrations with components of the OTF.
NASA Astrophysics Data System (ADS)
Javad Fahimi, Mohammad; Fathi, Davood; Ansari-Rad, Mehdi
2015-09-01
Electron transfer rate from quantum dot (QD) to metal oxide (MO) in quantum dot sensitized solar cells (QDSSCs) has an important role in the efficiency. In this work, we analyse the electron transfer rate from CdSe, CdS and CdTe QDs to TiO2, ZnO and SnO2 MOs by extending the related equations with considering various effects, based on the Marcus theory. In this regard, the effects of QD diameter, QD-MO spacing, the crystalline defects, temperature, and the reorganizational energy, on the electron transfer rate are investigated. The results show that, the maximum electron transfer rate is achieved for CdTe QD with the mentioned three MOs. Moreover, in order to direct the designer to reach the appropriate QDs-MOs combinations for obtaining the maximum electron transfer rate, the average electron transfer rate for various combinations is calculated. For the verification of simulation method, a part of work has been compared with the previous experimental and theoretical results, which indicates the correctness of our simulation algorithm.
The dynamic transfer function for a cavitating inducer
NASA Technical Reports Server (NTRS)
Brennen, C.; Acosta, A. J.
1975-01-01
Knowledge of the dynamic performance of pumps is essential for the prediction of transient behavior and instabilities in hydraulic systems; the necessary information is in the form of a transfer function which relates the instantaneous or fluctuating pressure and mass flow rate at inlet to the same quantities in the discharge from the pump. The presence of cavitation within the pump can have a major effect on this transfer function since dynamical changes in the volume of cavitation contribute to the difference in the instantaneous inlet and discharge mass flow rates. The present paper utilizes results from free streamline cascade theory to evaluate the elements in the transfer function for a cavitating inducer and shows that the numerical results are consistent with the characteristics observed in some dynamic tests on rocket engine turbopumps.
H2 -norm of fractional transfer functions of implicit type
NASA Astrophysics Data System (ADS)
Malti, Rachid; Chevrié, Mathieu; Farges, Christophe; Sabatier, Jocelyn
2015-09-01
This paper studies the H2 -norm (or impulse response energy) of fractional transfer functions of implicit type. Stability conditions are first shown to be identical as in rational systems with all poles located in the open left half complex plane. Then, analytical expressions of the H2 -norm are derived for elementary fractional transfer functions of the first and the second kind cascaded with a pure fractional integrator. Next, general boundedness conditions are established in terms of transfer function relative degree. Three illustrative examples are finally proposed. The first one evaluates the quality of a rational approximation of a fractional model of implicit type on the basis of the H2 -norm of the error signal. The second one evaluates the Integral Squared Error of a CRONE control loop and compares it to a classical proportional-derivative controller in a vehicle suspension. Finally, the third one allows to set up an implicit fractional preshaping filter for closed-loop control.
NASA Technical Reports Server (NTRS)
Ko, William L.; Fleischer, Van Tran; Lung, Shun-Fat
2017-01-01
For shape predictions of structures under large geometrically nonlinear deformations, Curved Displacement Transfer Functions were formulated based on a curved displacement, traced by a material point from the undeformed position to deformed position. The embedded beam (depth-wise cross section of a structure along a surface strain-sensing line) was discretized into multiple small domains, with domain junctures matching the strain-sensing stations. Thus, the surface strain distribution could be described with a piecewise linear or a piecewise nonlinear function. The discretization approach enabled piecewise integrations of the embedded-beam curvature equations to yield the Curved Displacement Transfer Functions, expressed in terms of embedded beam geometrical parameters and surface strains. By entering the surface strain data into the Displacement Transfer Functions, deflections along each embedded beam can be calculated at multiple points for mapping the overall structural deformed shapes. Finite-element linear and nonlinear analyses of a tapered cantilever tubular beam were performed to generate linear and nonlinear surface strains and the associated deflections to be used for validation. The shape prediction accuracies were then determined by comparing the theoretical deflections with the finiteelement- generated deflections. The results show that the newly developed Curved Displacement Transfer Functions are very accurate for shape predictions of structures under large geometrically nonlinear deformations.
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.
International transferability of accident modification functions for horizontal curves.
Elvik, Rune
2013-10-01
Studies of the relationship between characteristics of horizontal curves and accident rate have been reported in several countries. The characteristic most often studied is the radius of a horizontal curve. Functions describing the relationship between the radius of horizontal curves and accident rate have been developed in Australia, Canada, Denmark, Germany, Great Britain, New Zealand, Norway, Portugal, Sweden, and the United States. Other characteristics of horizontal curves that have been studied include deflection angle, curve length, the presence of transition curves, super-elevation in curves and distance to adjacent curves. This paper assesses the international transferability of mathematical functions (accident modification functions) that have been developed to relate the radius of horizontal curves to their accident rate. The main research problem is whether these functions are similar, which enhances international transferability, or dissimilar, which reduces international transferability. Accident modification functions for horizontal curve radius developed in the countries listed above are synthesised. The sensitivity of the functions to other characteristics of curves than radius is examined. Accident modification functions developed in different countries have important similarities. The functions diverge with respect to accident rate in the sharpest curves.
NASA Astrophysics Data System (ADS)
Barnard, Kenneth J.; Jacobs, Eddie L.; Plummer, Philip J.
2016-12-01
This paper expands upon a previously reported random speckle technique for measuring the modulation transfer function of midwave infrared focal plane arrays by considering a number of factors that impact the accuracy of the estimated modulation transfer function. These factors arise from assumptions in the theoretical derivation and bias in the estimation procedure. Each factor is examined and guidelines are determined to maintain accuracy within 2% of the true value. The uncertainty of the measurement is found by applying a one-factor ANOVA analysis and confidence intervals are established for the results. The small magnitude of the confidence intervals indicates a very robust technique capable of distinguishing differences in modulation transfer function among focal plane arrays on the order of a few percent. This analysis directly indicates the high quality of the random speckle modulation transfer function measurement technique. The methodology is applied to a focal plane array and results are presented that emphasize the need for generating independent random speckle realizations to accurately assess measured values.
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
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
2015-12-22
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.
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 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 of functions. Effective May 14, 1973, section 30(c) of the Consumer Product Safety Act (86 Stat. 1231; 15...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 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 of functions. Effective May 14, 1973, section 30(c) of the Consumer Product Safety Act (86 Stat. 1231; 15...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 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 of functions. Effective May 14, 1973, section 30(c) of the Consumer Product Safety Act (86 Stat. 1231; 15...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2012 CFR
2012-01-01
... 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 of functions. Effective May 14, 1973, section 30(c) of the Consumer Product Safety Act (86 Stat. 1231; 15...
16 CFR 1750.2 - Transfer of functions.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 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 of functions. Effective May 14, 1973, section 30(c) of the Consumer Product Safety Act (86 Stat. 1231; 15...
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.
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.
5 CFR 359.608 - Transfer of function.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Transfer of function. 359.608 Section 359.608 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS REMOVAL FROM THE SENIOR EXECUTIVE SERVICE; GUARANTEED PLACEMENT IN OTHER PERSONNEL SYSTEMS Removal of Career Appointees...
Transfer Functions for Nonlinear Systems via Fourier-Borel Transforms.
Fourier series or integral expansions of response functions of linear systems. The shuffle product which is the characteristic of the noncommutative ... noncommutative algebra on a computer in any of the currently available symbolic programming languages such as Macsyma, Reduce, PL1, and Lisp...gives the transform of the response of the nonlinear system as a Cauchy product of its transfer function which is introduced for the first time here
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.
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.
Aziz, Omar; Robinovitch, Stephen N; Park, Edward J
2016-08-01
In order to perform fall risk assessments using wearable inertial sensors in older adults in their natural settings where falls are likely to occur, a first step is to automatically segment and classify sensor signals of human movements into the known `activities of interest'. Sensor data from such activities can later be used through quantitative and qualitative analysis for differentiating fallers from non-fallers. In this study, ten young adults participated in experimental trials involving several variations of walking, transferring and sedentary activities. Data from tri-axial accelerometers and gyroscopes were used to classify the aforementioned three categories using a multiclass support vector machine algorithm. Our results showed 100% accuracy in distinguishing walking, transferring and sedentary activities using data from a three-sensor combination of sternum and both ankles.
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. PMID:26321940
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.
Comparison of geometrical and diffraction optical transfer functions
NASA Astrophysics Data System (ADS)
Mahajan, Virendra N.; Díaz, José Antonio
2015-09-01
The geometrical and diffraction point-spread functions of an optical imaging system have been reviewed and compared in the past [V. N. Mahajan, "Comparison of geometrical and diffraction point-spread functions," SPIE Proc. 3729, 434-445 (1999)]. In this paper, we review and compare its corresponding optical transfer functions. While the truth lies with the diffraction OTF, it is considered easier and quicker to calculate the geometrical OTF, especially for large aberrations. We briefly describe the theory of the two OTFs, and explore the range of spatial frequencies and the magnitude of the primary aberrations over which the geometrical OTF may provide a reasonable approximation of the diffraction OTF.
NASA Astrophysics Data System (ADS)
Wu, Su-Yong; Long, Xing-Wu; Yang, Kai-Yong
2009-09-01
To improve the current status of home multilayer optical coating design with low speed and poor efficiency when a large layer number occurs, the accurate calculation and fast realization of merit function’s gradient and Hesse matrix is pointed out. Based on the matrix method to calculate the spectral properties of multilayer optical coating, an analytic model is established theoretically. And the corresponding accurate and fast computation is successfully achieved by programming with Matlab. Theoretical and simulated results indicate that this model is mathematically strict and accurate, and its maximal precision can reach floating-point operations in the computer, with short time and fast speed. Thus it is very suitable to improve the optimal search speed and efficiency of local optimization methods based on the derivatives of merit function. It has outstanding performance in multilayer optical coating design with a large layer number.
Kato, Keiichi; Ueno, Satoshi; Yabuuchi, Akiko; Uchiyama, Kazuo; Okuno, Takashi; Kobayashi, Tamotsu; Segawa, Tomoya; Teramoto, Shokichi
2014-10-01
The aim of this study was to establish a simple, objective blastocyst grading system using women's age and embryo developmental speed to predict clinical pregnancy after single vitrified-warmed blastocyst transfer. A 6-year retrospective cohort study was conducted in a private infertility centre. A total of 7341 single vitrified-armed blastocyst transfer cycles were included, divided into those carried out between 2006 and 2011 (6046 cycles) and 2012 (1295 cycles). Clinical pregnancy rate, ongoing pregnancy rate and delivery rates were stratified by women's age (<35, 35-37, 38-39, 40-41, 42-45 years) and time to blastocyst expansion (<120, 120-129, 130-139, 140-149, >149 h) as embryo developmental speed. In all the age groups, clinical pregnancy rate, ongoing pregnancy rate and delivery rates decreased as the embryo developmental speed decreased (P < 0.0001). A simple five-grade score based on women's age and embryo developmental speed was determined by actual clinical pregnancy rates observed in the 2006-2011 cohort. Subsequently, the novel grading score was validated in the 2012 cohort (1295 cycles), finding an excellent association. In conclusion, we established a novel blastocyst grading system using women's age and embryo developmental speed as objective parameters.
Improving the full spectrum fitting method: accurate convolution with Gauss-Hermite functions
NASA Astrophysics Data System (ADS)
Cappellari, Michele
2017-04-01
I start by providing an updated summary of the penalized pixel-fitting (PPXF) method that is used to extract the stellar and gas kinematics, as well as the stellar population of galaxies, via full spectrum fitting. I then focus on the problem of extracting the kinematics when the velocity dispersion σ is smaller than the velocity sampling ΔV that is generally, by design, close to the instrumental dispersion σinst. The standard approach consists of convolving templates with a discretized kernel, while fitting for its parameters. This is obviously very inaccurate when σ ≲ ΔV/2, due to undersampling. Oversampling can prevent this, but it has drawbacks. Here I present a more accurate and efficient alternative. It avoids the evaluation of the undersampled kernel and instead directly computes its well-sampled analytic Fourier transform, for use with the convolution theorem. A simple analytic transform exists when the kernel is described by the popular Gauss-Hermite parametrization (which includes the Gaussian as special case) for the line-of-sight velocity distribution. I describe how this idea was implemented in a significant upgrade to the publicly available PPXF software. The key advantage of the new approach is that it provides accurate velocities regardless of σ. This is important e.g. for spectroscopic surveys targeting galaxies with σ ≪ σinst, for galaxy redshift determinations or for measuring line-of-sight velocities of individual stars. The proposed method could also be used to fix Gaussian convolution algorithms used in today's popular software packages.
Properties of Zero-Free Transfer Function Matrices
NASA Astrophysics Data System (ADS)
D. O. Anderson, Brian; Deistler, Manfred
Transfer functions of linear, time-invariant finite-dimensional systems with more outputs than inputs, as arise in factor analysis (for example in econometrics), have, for state-variable descriptions with generic entries in the relevant matrices, no finite zeros. This paper gives a number of characterizations of such systems (and indeed square discrete-time systems with no zeros), using state-variable, impulse response, and matrix-fraction descriptions. Key properties include the ability to recover the input values at any time from a bounded interval of output values, without any knowledge of an initial state, and an ability to verify the no-zero property in terms of a property of the impulse response coefficient matrices. Results are particularized to cases where the transfer function matrix in question may or may not have a zero at infinity or a zero at zero.
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.
Unified treatment for accurate and fast evaluation of the Fermi-Dirac functions
NASA Astrophysics Data System (ADS)
Guseinov, I. I.; Mamedov, B. A.
2010-05-01
A new analytical approach to the computation of the Fermi-Dirac (FD) functions is presented, which was suggested by previous experience with various algorithms. Using the binomial expansion theorem, these functions are expressed through the binomial coefficients and familiar incomplete Gamma functions. This simplification and the use of the memory of the computer for the calculation of binomial coefficients may extend the limits to large arguments for users and result in speedier calculation, should such limits be required in practice. Some numerical results are presented for significant mapping examples and they are briefly discussed.
2011-04-07
absolute and relative errors to approximate the derivatives of functions f : [−1, 1] → R with bandlimit roughly c with differentiation matrices constructed...of dimension N − 2 Ec = relative l2 error when D or DC is used to approximate the second derivatives of the functions sin(cx)− x sin(c) and cos(cx...dates back to the first half of the nineteenth century, is the finite difference method. It approximates the derivative of a function f : R → R at a
Microphonics and Lorentz Transfer Function Measurements on the SNS Cryomodules
Jean Delayen; G. Davis
2003-09-01
As part of the acceptance tests, we have performed a number of measurements of microphonics levels and frequency spectra on the SNS cryomodules. These measurements are particularly important since those cryomodules may be used in the high-energy section of the RIA driver, a low-current CW accelerator. Measurements of the complete transfer functions between rf field modulation and cavity resonant frequency have also been performed.
Determination of the electronics transfer function for current transient measurements
NASA Astrophysics Data System (ADS)
Scharf, Christian; Klanner, Robert
2015-04-01
We describe a straight-forward method for determining the transfer function of the readout of a sensor for the situation in which the current transient of the sensor can be precisely simulated. The method relies on the convolution theorem of Fourier transforms. The specific example is a planar silicon pad diode. The charge carriers in the sensor are produced by picosecond lasers with light of wavelengths of 675 and 1060 nm. The transfer function is determined from the 1060 nm data with the pad diode biased at 1000 V. It is shown that the simulated sensor response convoluted with this transfer function provides an excellent description of the measured transients for laser light of both wavelengths. The method has been applied successfully for the simulation of current transients of several different silicon pad diodes. It can also be applied for the analysis of transient-current measurements of radiation-damaged solid state sensors, as long as sensors properties, like high-frequency capacitance, are not too different.
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
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
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)
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.
Generating function formula of heat transfer in harmonic networks
NASA Astrophysics Data System (ADS)
Saito, Keiji; Dhar, Abhishek
2011-04-01
We consider heat transfer across an arbitrary classical harmonic network connected to two heat baths at different temperatures. The network has N positional degrees of freedom, of which NL are connected to a bath at temperature TL and NR are connected to a bath at temperature TR. We derive an exact formula for the cumulant generating function for heat transfer between the two baths. The formula is valid even for NL≠NR and satisfies the Gallavotti-Cohen fluctuation symmetry. Since harmonic crystals in three dimensions are known to exhibit different regimes of transport such as ballistic, anomalous, and diffusive, our result implies validity of the fluctuation theorem in all regimes. Our exact formula provides a powerful tool to study other properties of nonequilibrium current fluctuations.
Generating function formula of heat transfer in harmonic networks.
Saito, Keiji; Dhar, Abhishek
2011-04-01
We consider heat transfer across an arbitrary classical harmonic network connected to two heat baths at different temperatures. The network has N positional degrees of freedom, of which N(L) are connected to a bath at temperature T(L) and N(R) are connected to a bath at temperature T(R). We derive an exact formula for the cumulant generating function for heat transfer between the two baths. The formula is valid even for N(L)≠N(R) and satisfies the Gallavotti-Cohen fluctuation symmetry. Since harmonic crystals in three dimensions are known to exhibit different regimes of transport such as ballistic, anomalous, and diffusive, our result implies validity of the fluctuation theorem in all regimes. Our exact formula provides a powerful tool to study other properties of nonequilibrium current fluctuations.
Bio-recognition and functional lipidomics by glycosphingolipid transfer technology.
Taki, Takao
2013-01-01
Through glycosphingolipid biochemical research, we developed two types of transcription technologies. One is a biochemical transfer of glycosphingolipids to peptides. The other is a physicochemical transfer of glycosphingolipids in silica gel to the surface of a plastic membrane. Using the first technology, we could prepare peptides which mimic the shapes of glycosphingolipid molecules by biopanning with a phage-displayed peptide library and anti-glycosphingolipid antibodies as templates. The peptides thus obtained showed biological properties and functions similar to those of the original glycosphingolipids, such as lectin binding, glycosidase modulation, inhibition of tumor metastasis and immune response against the original antigen glycosphingolipid, and we named them glyco-replica peptides. The results showed that the newly prepared peptides could be used effectively as a bio-recognition system and suggest that the glyco-replica peptides can be widely applied to therapeutic fields. Using the second technology, we could establish a functional lipidomics with a thin-layer chromatography-blot/matrix-assisted laser desorption ionization-time of flight mass spectrometry (TLC-Blot/MALDI-TOF MS) system. By transferring glycosphingolipids on a plastic membrane surface from a TLC plate, innovative biochemical approaches such as simple purification of individual glycosphingolipids, binding studies, and enzyme reactions could be developed. The combinations of these biochemical approaches and MALDI-TOF MS on the plastic membrane could provide new strategies for glycosphingolipid science and the field of lipidomics. In this review, typical applications of these two transfer technologies are introduced.(Communicated by Kunihiko SUZUKI, M.J.A.).
Nucleobase-functionalized graphene nanoribbons for accurate high-speed DNA sequencing
NASA Astrophysics Data System (ADS)
Paulechka, Eugene; Wassenaar, Tsjerk A.; Kroenlein, Kenneth; Kazakov, Andrei; Smolyanitsky, Alex
2016-01-01
We propose a water-immersed nucleobase-functionalized suspended graphene nanoribbon as an intrinsically selective device for nucleotide detection. The proposed sensing method combines Watson-Crick selective base pairing with graphene's capacity for converting anisotropic lattice strain to changes in an electrical current at the nanoscale. Using detailed atomistic molecular dynamics (MD) simulations, we study sensor operation at ambient conditions. We combine simulated data with theoretical arguments to estimate the levels of measurable electrical signal variation in response to strains and determine that the proposed sensing mechanism shows significant promise for realistic DNA sensing devices without the need for advanced data processing, or highly restrictive operational conditions.We propose a water-immersed nucleobase-functionalized suspended graphene nanoribbon as an intrinsically selective device for nucleotide detection. The proposed sensing method combines Watson-Crick selective base pairing with graphene's capacity for converting anisotropic lattice strain to changes in an electrical current at the nanoscale. Using detailed atomistic molecular dynamics (MD) simulations, we study sensor operation at ambient conditions. We combine simulated data with theoretical arguments to estimate the levels of measurable electrical signal variation in response to strains and determine that the proposed sensing mechanism shows significant promise for realistic DNA sensing devices without the need for advanced data processing, or highly restrictive operational conditions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07061a
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
NASA Astrophysics Data System (ADS)
Lutnæs, Ola B.; Teale, Andrew M.; Helgaker, Trygve; Tozer, David J.; Ruud, Kenneth; Gauss, Jürgen
2009-10-01
An accurate set of benchmark rotational g tensors and magnetizabilities are calculated using coupled-cluster singles-doubles (CCSD) theory and coupled-cluster single-doubles-perturbative-triples [CCSD(T)] theory, in a variety of basis sets consisting of (rotational) London atomic orbitals. The accuracy of the results obtained is established for the rotational g tensors by careful comparison with experimental data, taking into account zero-point vibrational corrections. After an analysis of the basis sets employed, extrapolation techniques are used to provide estimates of the basis-set-limit quantities, thereby establishing an accurate benchmark data set. The utility of the data set is demonstrated by examining a wide variety of density functionals for the calculation of these properties. None of the density-functional methods are competitive with the CCSD or CCSD(T) methods. The need for a careful consideration of vibrational effects is clearly illustrated. Finally, the pure coupled-cluster results are compared with the results of density-functional calculations constrained to give the same electronic density. The importance of current dependence in exchange-correlation functionals is discussed in light of this comparison.
Zhang, Changzhe; Bu, Yuxiang
2017-01-25
In this work, the effect of diffuse function types (atom-centered diffuse functions versus floating functions and s-type versus p-type diffuse functions) on the structures and properties of three representative water cluster anions featuring a surface-bound excess electron is studied and we find that an effective combination of such two kinds of diffuse functions can not only reduce the computational cost but also, most importantly, considerably improve the accuracy of results and even avoid incorrect predictions of spectra and the EE shape. Our results indicate that (a) simple augmentation of atom-centered diffuse functions is beneficial for the vertical detachment energy convergence, but it leads to very poor descriptions for the singly occupied molecular orbital (SOMO) and lowest unoccupied molecular orbital (LUMO) distributions of the water cluster anions featuring a surface-bound excess electron and thus a significant ultraviolet spectrum redshift; (b) the ghost-atom-based floating diffuse functions can not only contribute to accurate electronic calculations of the ground state but also avoid poor and even incorrect descriptions of the SOMO and the LUMO induced by excessive augmentation of atom-centered diffuse functions; (c) the floating functions can be realized by ghost atoms and their positions could be determined through an optimization routine along the dipole moment vector direction. In addition, both the s- and p-type floating functions are necessary to supplement in the basis set which are responsible for the ground (s-type character) and excited (p-type character) states of the surface-bound excess electron, respectively. The exponents of the diffuse functions should also be determined to make the diffuse functions cover the main region of the excess electron distribution. Note that excessive augmentation of such diffuse functions is redundant and even can lead to unreasonable LUMO characteristics.
Swanson, Jon; Audie, Joseph
2017-01-16
A fundamental and unsolved problem in biophysical chemistry is the development of a computationally simple, physically intuitive, and generally applicable method for accurately predicting and physically explaining protein-protein binding affinities from protein-protein interaction (PPI) complex coordinates. Here, we propose that the simplification of a previously described six-term PPI scoring function to a four term function results in a simple expression of all physically and statistically meaningful terms that can be used to accurately predict and explain binding affinities for a well-defined subset of PPIs that are characterized by (1) crystallographic coordinates, (2) rigid-body association, (3) normal interface size, and hydrophobicity and hydrophilicity, and (4) high quality experimental binding affinity measurements. We further propose that the four-term scoring function could be regarded as a core expression for future development into a more general PPI scoring function. Our work has clear implications for PPI modeling and structure-based drug design.
Web-based Simulation for Contrast Transfer Function and Envelope Functions.
Jiang, Wen; Chiu, Wah
2001-07-01
We have implemented a Web-based simulation program for the contrast transfer function and envelope functions in Java and JavaScript. The simulation provides interactive controls of all the parameters in those functions. In addition to the predefined functions, users can easily define new functions that use any of the parameters in the preset functions. The most useful feature of this new simulation program is the convenient, universal accessibility through Web browsers on any computer platform that supports Java, such as Netscape and Internet Explorer.
Hydrophone's sensitivity calibration based on its complex transfer function
NASA Astrophysics Data System (ADS)
Oliveira, E. G.; Machado, J. C.; Costa-Felix, R. P. B.
2015-01-01
A novel approach to calibrate ultrasonic hydrofone's sensitivity magnitude has been developed. The primary calibration method known as self-reciprocity with an auxiliary transducer was improved with a measurement technique based on the assessment of complex transfer function of the system. The protocol was experimented from 1.0 MHz to 7.0 MHz, and thereafter compared with a previous calibration realized at the National Physical Laboratory (NPL, Teddington, UK). Within the frequency range of interest, the novel calibration results were statistically identical to the previous calibration data. The 95% confidence level uncertainty varied from 6.6% to 7.5%.
Analysis of diagnostic calorimeter data by the transfer function technique
Delogu, R. S. Pimazzoni, A.; Serianni, G.; Poggi, C.; Rossi, G.
2016-02-15
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.
Transfer function modeling of damping mechanisms in viscoelastic plates
NASA Technical Reports Server (NTRS)
Slater, J. C.; Inman, D. J.
1991-01-01
This work formulates a method for the modeling of material damping characteristics in plates. The Sophie German equation of classical plate theory is modified to incorporate hysteresis effects represented by complex stiffness using the transfer function approach proposed by Golla and Hughes, (1985). However, this procedure is not limited to this representation. The governing characteristic equation is decoupled through separation of variables, yielding a solution similar to that of undamped classical plate theory, allowing solution of the steady state as well as the transient response problem.
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.
Modulation transfer function of a trapezoidal pixel array detector
NASA Astrophysics Data System (ADS)
Wang, Fan; Guo, Rongli; Ni, Jinping; Dong, Tao
2016-01-01
The modulation transfer function (MTF) is the tool most commonly used for quantifying the performance of an electro-optical imaging system. Recently, trapezoid-shaped pixels were designed and used in a retina-like sensor in place of rectangular-shaped pixels. The MTF of a detector with a trapezoidal pixel array is determined according to its definition. Additionally, the MTFs of detectors with differently shaped pixels, but the same pixel areas, are compared. The results show that the MTF values of the trapezoidal pixel array detector are obviously larger than those of rectangular and triangular pixel array detectors at the same frequencies.
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.
Transfer function of long spliced graded-index fibers with mode scramblers.
Ikeda, M; Kitayama, K
1978-01-01
Transfer functions of long spliced graded-index fibers are described. The transfer function of a spliced graded-index fiber is determined with the steady state mode exciter and the mode scramblers loaded just after each splicing. Under these conditions, the total transfer function calculated by the linear combination of each fiber's transfer function is in good agreement with the measurement results. It has been found that the transmission bandwidth can be widened by using mode scramblers.
Wehner, Jens; Baumeier, Björn
2017-03-08
A general approach to determine orientation and distance-dependent effective intermolecular exciton transfer integrals from many-body Green's functions theory is presented. On the basis of the GW approximation and the Bethe-Salpeter equation (BSE), a projection technique is employed to obtain the excitonic coupling by forming the expectation value of a supramolecular BSE Hamiltonian with electron-hole wave functions for excitations localized on two separated chromophores. Within this approach, accounting for the effects of coupling mediated by intermolecular charge transfer (CT) excitations is possible via perturbation theory or a reduction technique. Application to model configurations of pyrene dimers shows an accurate description of short-range exchange and long-range Coulomb interactions for the coupling of singlet and triplet excitons. Computational parameters, such as the choice of the exchange-correlation functional in the density-functional theory (DFT) calculations that underly the GW-BSE steps and the convergence with the number of included CT excitations, are scrutinized. Finally, an optimal strategy is derived for simulations of full large-scale morphologies by benchmarking various approximations using pairs of dicyanovinyl end-capped oligothiophenes (DCV5T), which are used as donor material in state-of-the-art organic solar cells.
NASA Astrophysics Data System (ADS)
Vargas, Asticio; Donoso, Ramiro; Ramírez, Manuel; Carrión, José; del Mar Sánchez-López, María; Moreno, Ignacio
2013-09-01
We present a methodology for the spectral characterization of the optical modulation properties of a liquid crystal retarder (LCR). The method includes its complete description with a single Cauchy dispersion relation and a single voltage transfer function. As a result, an accurate description of the LCR retardance is achieved, both versus applied voltage and versus wavelength, with very few parameters. Finally, an imaging polarimetric system has also been developed to characterize the spatial variations in the device.
Platysma Motor Nerve Transfer for Restoring Marginal Mandibular Nerve Function
Jensson, David; Weninger, Wolfgang J.; Schmid, Melanie; Meng, Stefan; Tzou, Chieh-Han John
2016-01-01
Background: Injuries of the marginal mandibular nerve (MMN) of the facial nerve result in paralysis of the lower lip muscle depressors and an asymmetrical smile. Nerve reconstruction, when possible, is the method of choice; however, in cases of long nerve gaps or delayed nerve reconstruction, conventional nerve repairs may be difficult to perform or may provide suboptimal outcomes. Herein, we investigate the anatomical technical feasibility of transfer of the platysma motor nerve (PMN) to the MMN for restoration of lower lip function, and we present a clinical case where this nerve transfer was successfully performed. Methods: Ten adult fresh cadavers were dissected. Measurements included the number of MMN and PMN branches, the maximal length of dissection of the PMN from the parotid, and the distance from the anterior border of the parotid to the facial artery. The PMN reach for direct coaptation to the MMN at the level of the crossing with the facial artery was assessed. We performed histomorphometric analysis of the MMN and PMN branches. Results: The anatomy of the MMN and PMN was consistent in all dissections, with an average number of subbranches of 1.5 for the MMN and 1.2 for the PMN. The average maximal length of dissection of the PMN was 46.5 mm, and in every case, tension-free coaptation with the MMN was possible. Histomorphometric analysis demonstrated that the MMN contained an average of 3,866 myelinated fiber counts per millimeter, and the PMN contained 5,025. After a 3-year follow-up of the clinical case, complete recovery of MMN function was observed, without the need of central relearning and without functional or aesthetic impairment resulting from denervation of the platysma muscle. Conclusions: PMN to MMN transfer is an anatomically feasible procedure for reconstruction of isolated MMN injuries. In our patient, by direct nerve coaptation, a faster and full recovery of lower lip muscle depressors was achieved without the need of central
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.
Biochemical and biological functions of class I phosphatidylinositol transfer proteins.
Cockcroft, Shamshad; Carvou, Nicolas
2007-06-01
Phosphoinositides function in a diverse array of cellular activities. They include a role as substrate for lipid kinases and phospholipases to generate second messengers, regulators of the cytoskeleton, of enzymes and of ion channels, and docking sites for reversible recruitment of proteins to membranes. Mammalian phosphatidylinositol transfer proteins, PITPalpha and PITPbeta are paralogs that share 77% sequence identity and contain a hydrophobic cavity that can sequester either phosphatidylinositol or phosphatidylcholine. A string of 11 amino acid residues at the C-terminal acts as a "lid" which shields the lipid from the aqueous environment. PITPs in vitro can facilitate inter-membrane lipid transfer and this requires the movement of the "lid" to allow the lipid cargo to be released. Thus PITPs are structurally designed for delivering lipid cargo and could thus participate in cellular events that are dependent on phosphatidylinositol or derivatives of phosphatidylinositol. Phosphatidylinositol, the precursor for all phosphoinositides is synthesised at the endoplasmic reticulum and its distribution to other organelles could be facilitated by PITPs. Here we highlight recent studies that report on the three-dimensional structures of the different PITP forms and suggest how PITPs are likely to dock at the membrane surface for lipid delivery and extraction. Additionally we discuss whether PITPs are important regulators of sphingomyelin metabolism, and finally describe recent studies that link the association of PITPs with diverse functions including membrane traffic at the Golgi, neurite outgrowth, cytokinesis and stem cell growth.
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.
Luy; Schedletzky; Glaser
1999-05-01
Analytical polarization transfer functions are presented for spin systems consisting of four spins 12 with arbitrary coupling constants under isotropic mixing conditions. In addition, simplified transfer functions were derived for symmetric coupling topologies. Based on these transfer functions optimal durations for the mixing period can be determined for correlations of interest. Copyright 1999 Academic Press.
5 CFR 351.303 - Identification of positions with a transferring function.
Code of Federal Regulations, 2010 CFR
2010-01-01
... function. Competing employees listed on the retention register are identified for transfer in the inverse... transferring function. 351.303 Section 351.303 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS REDUCTION IN FORCE Transfer of Function § 351.303 Identification of positions with...
NASA Astrophysics Data System (ADS)
Saito, A.; Kuroishi, M.; Nakai, H.
2016-09-01
This paper concerns the noise and structural vibration caused by rotating electric machines. Special attention is given to the magnetic-force induced vibration response of interior-permanent magnet machines. In general, to accurately predict and control the vibration response caused by the electric machines, it is inevitable to model not only the magnetic force induced by the fluctuation of magnetic fields, but also the structural dynamic characteristics of the electric machines and surrounding structural components. However, due to complicated boundary conditions and material properties of the components, such as laminated magnetic cores and varnished windings, it has been a challenge to compute accurate vibration response caused by the electric machines even after their physical models are available. In this paper, we propose a highly-accurate vibration prediction method that couples experimentally-obtained discrete structural transfer functions and numerically-obtained distributed magnetic-forces. The proposed vibration synthesis methodology has been applied to predict vibration responses of an interior permanent magnet machine. The results show that the predicted vibration response of the electric machine agrees very well with the measured vibration response for several load conditions, for wide frequency ranges.
Karwath, Andreas; Clare, Amanda; Dehaspe, Luc
2000-01-01
The analysis of genomics data needs to become as automated as its generation. Here we present a novel data-mining approach to predicting protein functional class from sequence. This method is based on a combination of inductive logic programming clustering and rule learning. We demonstrate the effectiveness of this approach on the M. tuberculosis and E. coli genomes, and identify biologically interpretable rules which predict protein functional class from information only available from the sequence. These rules predict 65% of the ORFs with no assigned function in M. tuberculosis and 24% of those in E. coli, with an estimated accuracy of 60–80% (depending on the level of functional assignment). The rules are founded on a combination of detection of remote homology, convergent evolution and horizontal gene transfer. We identify rules that predict protein functional class even in the absence of detectable sequence or structural homology. These rules give insight into the evolutionary history of M. tuberculosis and E. coli. PMID:11119305
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.
Analytic improvements to the atmospheric turbulence optical transfer function
NASA Astrophysics Data System (ADS)
Tofsted, David H.
2003-09-01
The standard method used for modeling optical turbulence effects on imaging uses an optical transfer function (OTF). To model this function the short- and long-exposure limiting cases exist. The short-exposure case is handled by modifying the long-exposure case to remove wavefront tilt assessed at the sensor entrance pupil. Then, depending on whether one is in the "near-field" or the "far-field," one of two subcases is used. These evaluations require a model of the refractive index spectrum. Typically this model is assumed to be the Kolmogorov spectrum where an inner scale is set to zero and outer scale is infinite. However, for real atmospheres the inner and outer scales affect turbulence predictions through a modified spectrum. The difficulty using non-limiting values for these parameters is that double integrals must then be assessed. However, in this paper analytic forms are developed to describe the spectrum, permitting analytic solutions to these integrals. The result is that we can express quantities such as the Fried coherence diameter in closed form accounting for both inner and outer scale effects. Also, expressions for the inner and outer scales of turbulence can be written as functions of the atmospheric surface layer stability. Lastly, it is shown that the near/far-field effect does not easily subdivide into two cases. In fact, the distance dependence of the tilt effect is shown to span a range of 107 in the governing dimensionless parameter. To model this continuum a unified treatment is considered.
Evolution of the transfer function characterization of surface scatter phenomena
NASA Astrophysics Data System (ADS)
Harvey, James E.; Pfisterer, Richard N.
2016-09-01
Based upon the empirical observation that BRDF measurements of smooth optical surfaces exhibited shift-invariant behavior when plotted versus o , the original Harvey-Shack (OHS) surface scatter theory was developed as a scalar linear systems formulation in which scattered light behavior was characterized by a surface transfer function (STF) reminiscent of the optical transfer function (OTF) of modern image formation theory (1976). This shift-invariant behavior combined with the inverse power law behavior when plotting log BRDF versus log o was quickly incorporated into several optical analysis software packages. Although there was no explicit smooth-surface approximation in the OHS theory, there was a limitation on both the incident and scattering angles. In 1988 the modified Harvey-Shack (MHS) theory removed the limitation on the angle of incidence; however, a moderate-angle scattering limitation remained. Clearly for large incident angles the BRDF was no longer shift-invariant as a different STF was now required for each incident angle. In 2011 the generalized Harvey-Shack (GHS) surface scatter theory, characterized by a two-parameter family of STFs, evolved into a practical modeling tool to calculate BRDFs from optical surface metrology data for situations that violate the smooth surface approximation inherent in the Rayleigh-Rice theory and/or the moderate-angle limitation of the Beckmann-Kirchhoff theory. And finally, the STF can be multiplied by the classical OTF to provide a complete linear systems formulation of image quality as degraded by diffraction, geometrical aberrations and surface scatter effects from residual optical fabrication errors.
NASA Astrophysics Data System (ADS)
Ghosh, Swarnava; Suryanarayana, Phanish
2017-03-01
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated clusters. Specifically, utilizing a local reformulation of the electrostatics, the Chebyshev polynomial filtered self-consistent field iteration, and a reformulation of the non-local component of the force, we develop a framework using the finite-difference representation that enables the efficient evaluation of energies and atomic forces to within the desired accuracies in DFT. Through selected examples consisting of a variety of elements, we demonstrate that SPARC obtains exponential convergence in energy and forces with domain size; systematic convergence in the energy and forces with mesh-size to reference plane-wave result at comparably high rates; forces that are consistent with the energy, both free from any noticeable 'egg-box' effect; and accurate ground-state properties including equilibrium geometries and vibrational spectra. In addition, for systems consisting up to thousands of electrons, SPARC displays weak and strong parallel scaling behavior that is similar to well-established and optimized plane-wave implementations, but with a significantly reduced prefactor. Overall, SPARC represents an attractive alternative to plane-wave codes for practical DFT simulations of isolated clusters.
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
Presas, Alexandre; Valentin, David; Egusquiza, Eduard; Valero, Carme; Egusquiza, Mònica; Bossio, Matias
2017-03-22
To accurately determine the dynamic response of a structure is of relevant interest in many engineering applications. Particularly, it is of paramount importance to determine the Frequency Response Function (FRF) for structures subjected to dynamic loads in order to avoid resonance and fatigue problems that can drastically reduce their useful life. One challenging case is the experimental determination of the FRF of submerged and confined structures, such as hydraulic turbines, which are greatly affected by dynamic problems as reported in many cases in the past. The utilization of classical and calibrated exciters such as instrumented hammers or shakers to determine the FRF in such structures can be very complex due to the confinement of the structure and because their use can disturb the boundary conditions affecting the experimental results. For such cases, Piezoelectric Patches (PZTs), which are very light, thin and small, could be a very good option. Nevertheless, the main drawback of these exciters is that the calibration as dynamic force transducers (relationship voltage/force) has not been successfully obtained in the past. Therefore, in this paper, a method to accurately determine the FRF of submerged and confined structures by using PZTs is developed and validated. The method consists of experimentally determining some characteristic parameters that define the FRF, with an uncalibrated PZT exciting the structure. These parameters, which have been experimentally determined, are then introduced in a validated numerical model of the tested structure. In this way, the FRF of the structure can be estimated with good accuracy. With respect to previous studies, where only the natural frequencies and mode shapes were considered, this paper discuss and experimentally proves the best excitation characteristic to obtain also the damping ratios and proposes a procedure to fully determine the FRF. The method proposed here has been validated for the structure vibrating
Presas, Alexandre; Valentin, David; Egusquiza, Eduard; Valero, Carme; Egusquiza, Mònica; Bossio, Matias
2017-01-01
To accurately determine the dynamic response of a structure is of relevant interest in many engineering applications. Particularly, it is of paramount importance to determine the Frequency Response Function (FRF) for structures subjected to dynamic loads in order to avoid resonance and fatigue problems that can drastically reduce their useful life. One challenging case is the experimental determination of the FRF of submerged and confined structures, such as hydraulic turbines, which are greatly affected by dynamic problems as reported in many cases in the past. The utilization of classical and calibrated exciters such as instrumented hammers or shakers to determine the FRF in such structures can be very complex due to the confinement of the structure and because their use can disturb the boundary conditions affecting the experimental results. For such cases, Piezoelectric Patches (PZTs), which are very light, thin and small, could be a very good option. Nevertheless, the main drawback of these exciters is that the calibration as dynamic force transducers (relationship voltage/force) has not been successfully obtained in the past. Therefore, in this paper, a method to accurately determine the FRF of submerged and confined structures by using PZTs is developed and validated. The method consists of experimentally determining some characteristic parameters that define the FRF, with an uncalibrated PZT exciting the structure. These parameters, which have been experimentally determined, are then introduced in a validated numerical model of the tested structure. In this way, the FRF of the structure can be estimated with good accuracy. With respect to previous studies, where only the natural frequencies and mode shapes were considered, this paper discuss and experimentally proves the best excitation characteristic to obtain also the damping ratios and proposes a procedure to fully determine the FRF. The method proposed here has been validated for the structure vibrating
NASA Astrophysics Data System (ADS)
Chen, Yuheng; Chen, Xinhua; Shen, Weimin
2008-03-01
The remote camera that is developed by us is the exclusive functional load of a micro-satellite. Modulation transfer function (MTF) is a direct and accurate parameter to evaluate the system performance of a remote camera, and the MTF of a camera is jointly decided by the MTF of camera lens and its CCD device. The MTF of the camera lens can be tested directly with commercial optical system testing instrument, but it is indispensable to measure the MTF of the CCD device accurately before setting up the whole camera to evaluate the performance of the whole camera in advance. Compared with other existed MTF measuring methods, this method using grating pattern requires less equipment and simpler arithmetic. Only one complete scan of the grating pattern and later data processing and interpolation are needed to get the continuous MTF curves of the whole camera and its CCD device. High-precision optical system testing instrument guarantees the precision of this indirect measuring method. This indirect method to measure MTF is of reference use for the method of testing MTF of electronic device and for gaining MTF indirectly from corresponding CTF.
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.
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
Frequency domain transfer function identification using the computer program SYSFIT
Trudnowski, D.J.
1992-12-01
Because the primary application of SYSFIT for BPA involves studying power system dynamics, this investigation was geared toward simulating the effects that might be encountered in studying electromechanical oscillations in power systems. Although the intended focus of this work is power system oscillations, the studies are sufficiently genetic that the results can be applied to many types of oscillatory systems with closely-spaced modes. In general, there are two possible ways of solving the optimization problem. One is to use a least-squares optimization function and to write the system in such a form that the problem becomes one of linear least-squares. The solution can then be obtained using a standard least-squares technique. The other method involves using a search method to obtain the optimal model. This method allows considerably more freedom in forming the optimization function and model, but it requires an initial guess of the system parameters. SYSFIT employs this second approach. Detailed investigations were conducted into three main areas: (1) fitting to exact frequency response data of a linear system; (2) fitting to the discrete Fourier transformation of noisy data; and (3) fitting to multi-path systems. The first area consisted of investigating the effects of alternative optimization cost function options; using different optimization search methods; incorrect model order, missing response data; closely-spaced poles; and closely-spaced pole-zero pairs. Within the second area, different noise colorations and levels were studied. In the third area, methods were investigated for improving fitting results by incorporating more than one system path. The following is a list of guidelines and properties developed from the study for fitting a transfer function to the frequency response of a system using optimization search methods.
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.
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.
Lipid transfer proteins: classification, nomenclature, structure, and function.
Salminen, Tiina A; Blomqvist, Kristina; Edqvist, Johan
2016-11-01
The non-specific lipid transfer proteins (LTPs) constitute a large protein family found in all land plants. They are small proteins characterized by a tunnel-like hydrophobic cavity, which makes them suitable for binding and transporting various lipids. The LTPs are abundantly expressed in most tissues. In general, they are synthesized with an N-terminal signal peptide that localizes the protein to spaces exterior to the plasma membrane. The in vivo functions of LTPs are still disputed, although evidence has accumulated for a role in the synthesis of lipid barrier polymers, such as cuticular waxes, suberin, and sporopollenin. There are also reports suggesting that LTPs are involved in signaling during pathogen attacks. LTPs are considered as key proteins for the plant's survival and colonization of land. In this review, we aim to present an overview of the current status of LTP research and also to discuss potential future applications of these proteins. We update the knowledge on 3D structures and lipid binding and review the most recent data from functional investigations, such as from knockout or overexpressing experiments. We also propose and argument for a novel system for the classification and naming of the LTPs.
A new method for determining the transfer function of an acousto optical tunable filter.
Mahieux, A; Wilquet, V; Drummond, R; Belyaev, D; Federova, A; Vandaele, A C
2009-02-02
The current study describes the determination of the transfer function of an Acousto Optical Tunable Filter from the in-flight solar observations of the SOIR instrument on board Venus Express. An approach is proposed in order to reconstruct the transfer function profile from the analysis of various solar lines. Moreover this technique allows the determination of the evolution of the transfer function as a function of the AOTF radio frequency.
Point spread function and optical transfer function of a misaligned hypertelescope
NASA Astrophysics Data System (ADS)
Tcherniavski, Iouri
2011-03-01
Analytical expressions for an instantaneous spectral point spread function (PSF) and an instantaneous spectral optical transfer function of a misaligned hypertelescope without delay lines, and containing circular and/or annular collecting mirrors, are presented. The formulas are deduced on the basis of the Fresnel approach to the Kirchhoff diffraction theory. Numerical results obtained for the system containing 60 identical annular mirrors, illustrate the pupil densification properties of the hypertelescope and the influence of random spatial and angular positioning errors of the optical elements on the average PSF (APSF), and on the average modulation transfer function (AMTF) calculated for the errors obeying specified probability distributions. The APSF and the AMTF give the opportunity to estimate the influence of the alignment errors on the resulting image quality in the hypertelescope image plane. This estimation can be used to produce the necessary requirements to the accuracy of the mirror control system and to the accuracy of the optical element alignment in dependence on the values of the exit pupil densification and the desirable resolution capability of the hypertelescope. The notion of the PSF and the modulation transfer function for off-axis beams can be useful for evaluation of a hypertelescope field of view.
Karton, Amir; Tarnopolsky, Alex; Lamère, Jean-François; Schatz, George C; Martin, Jan M L
2008-12-18
We present a number of near-exact, nonrelativistic, Born-Oppenheimer reference data sets for the parametrization of more approximate methods (such as DFT functionals). The data were obtained by means of the W4 ab initio computational thermochemistry protocol, which has a 95% confidence interval well below 1 kJ/mol. Our data sets include W4-08, which are total atomization energies of over 100 small molecules that cover varying degrees of nondynamical correlations, and DBH24-W4, which are W4 theory values for Truhlar's set of 24 representative barrier heights. The usual procedure of comparing calculated DFT values with experimental atomization energies is hampered by comparatively large experimental uncertainties in many experimental values and compounds errors due to deficiencies in the DFT functional with those resulting from neglect of relativity and finite nuclear mass. Comparison with accurate, explicitly nonrelativistic, ab initio data avoids these issues. We then proceed to explore the performance of B2x-PLYP-type double hybrid functionals for atomization energies and barrier heights. We find that the optimum hybrids for hydrogen-transfer reactions, heavy-atoms transfers, nucleophilic substitutions, and unimolecular and recombination reactions are quite different from one another: out of these subsets, the heavy-atom transfer reactions are by far the most sensitive to the percentages of Hartree-Fock-type exchange y and MP2-type correlation x in an (x, y) double hybrid. The (42,72) hybrid B2K-PLYP, as reported in a preliminary communication, represents the best compromise between thermochemistry and hydrogen-transfer barriers, while also yielding excellent performance for nucleophilic substitutions. By optimizing for best overall performance on both thermochemistry and the DBH24-W4 data set, however, we find a new (36,65) hybrid which we term B2GP-PLYP. At a slight expense in performance for hydrogen-transfer barrier heights and nucleophilic substitutions, we
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
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.
2007-11-02
BAROREFLEX SENSITIVITY ESTIMATION BY THE TRANSFER FUNCTION METHOD REVISED: EFFECT OF CHANGING THE COHERENCE CRITERION G.D. Pinna1, R. Maestri1, G...In this study we appraised three new criteria for the computation of baroreflex sensitivity (BRS) using the transfer function magnitude (TFM) method... Baroreflex sensitivity , spectral analysis, transfer function I. INTRODUCTION Among the different spectral methods proposed so far for the estimation of
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.
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.
A priori mesh grading for the numerical calculation of the head-related transfer functions
Ziegelwanger, Harald; Kreuzer, Wolfgang; Majdak, Piotr
2017-01-01
Head-related transfer functions (HRTFs) describe the directional filtering of the incoming sound caused by the morphology of a listener’s head and pinnae. When an accurate model of a listener’s morphology exists, HRTFs can be calculated numerically with the boundary element method (BEM). However, the general recommendation to model the head and pinnae with at least six elements per wavelength renders the BEM as a time-consuming procedure when calculating HRTFs for the full audible frequency range. In this study, a mesh preprocessing algorithm is proposed, viz., a priori mesh grading, which reduces the computational costs in the HRTF calculation process significantly. The mesh grading algorithm deliberately violates the recommendation of at least six elements per wavelength in certain regions of the head and pinnae and varies the size of elements gradually according to an a priori defined grading function. The evaluation of the algorithm involved HRTFs calculated for various geometric objects including meshes of three human listeners and various grading functions. The numerical accuracy and the predicted sound-localization performance of calculated HRTFs were analyzed. A-priori mesh grading appeared to be suitable for the numerical calculation of HRTFs in the full audible frequency range and outperformed uniform meshes in terms of numerical errors, perception based predictions of sound-localization performance, and computational costs. PMID:28239186
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.
NASA Astrophysics Data System (ADS)
Beasley, Howard H.; Martin, John S.; Klymenko, Victor; Harding, Thomas H.; Verona, Robert W.; Rash, Clarence E.
1995-07-01
A counterphase modulation technique is used to measure the static and dynamic modulation transfer functions for three phosphorus of current interest to U.S. Army aviation helmet-mounted displays (P-1, P-43, and P-53). A family of modulation transfer curves, one for each temporal frequency, is presented for each phosphorus. The measured MFT curves generally support the supposition that phosphorus persistence is a critical parameter in the ability of a CRT display to accurately reproduce contrast modulation transfer in dynamic environments.
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
2010-01-01
Background There is an overwhelming burden of cardiovascular disease, type 2 diabetes and chronic kidney disease among Indigenous Australians. In this high risk population, it is vital that we are able to measure accurately kidney function. Glomerular filtration rate is the best overall marker of kidney function. However, differences in body build and body composition between Indigenous and non-Indigenous Australians suggest that creatinine-based estimates of glomerular filtration rate derived for European populations may not be appropriate for Indigenous Australians. The burden of kidney disease is borne disproportionately by Indigenous Australians in central and northern Australia, and there is significant heterogeneity in body build and composition within and amongst these groups. This heterogeneity might differentially affect the accuracy of estimation of glomerular filtration rate between different Indigenous groups. By assessing kidney function in Indigenous Australians from Northern Queensland, Northern Territory and Western Australia, we aim to determine a validated and practical measure of glomerular filtration rate suitable for use in all Indigenous Australians. Methods/Design A cross-sectional study of Indigenous Australian adults (target n = 600, 50% male) across 4 sites: Top End, Northern Territory; Central Australia; Far North Queensland and Western Australia. The reference measure of glomerular filtration rate was the plasma disappearance rate of iohexol over 4 hours. We will compare the accuracy of the following glomerular filtration rate measures with the reference measure: Modification of Diet in Renal Disease 4-variable formula, Chronic Kidney Disease Epidemiology Collaboration equation, Cockcroft-Gault formula and cystatin C- derived estimates. Detailed assessment of body build and composition was performed using anthropometric measurements, skinfold thicknesses, bioelectrical impedance and a sub-study used dual-energy X-ray absorptiometry. A
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.
Analytical polarization and coherence transfer functions for three dipolar coupled spins 12.
Luy, B; Glaser, S J
2000-02-01
Analytical polarization and coherence transfer functions are presented for a spin system consisting of three dipolar coupled homonuclear spins 12 under energy matched conditions. Based on these transfer functions, optimal durations of Hartmann-Hahn mixing periods can be determined for arbitrary dipolar coupling constants D(12), D(13), and D(23). In addition, the dependence of the transfer efficiency on the relative size of the dipolar coupling constants is illustrated.
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
Spencer, J.E.
1982-05-01
The exact, ion-optical transfer functions for the dipoles, quadrupoles and sextupoles of the PEP standard PODC cell are calculated for any single particle with initial coordinates (r, p, s). Modifications resulting from radiative energy loss are also calculated and discussed. These functions allow one to characterize individual magnets or classes of magnets by their aberrations and thereby simplify their study and correction. In contrast to high-energy spectrometers where aberrations are often analyzed away, those in storage rings drive series of high order resonances, even for perfect magnets (2), that can produce stop bands and other effects which can seriously limit performance. Thus, one would like to eliminate them altogether or failing this to develop local and global correction schemes. Even then, one should expect higher order effects to influence injection, extraction or single-pass systems either because of orbit distortions or overly large phase spece distortions such as may occur in low-beta insertions or any final-focus optics. The term exact means that the results here are based on solving the relativistic Lorentz force equation with accurate representations of measured magnetostatic fields. Such fields satisfy Maxwell's equations and are the actual fields seen by a particle as it propagates around a real storage ring. This is discussed in detail and illustrated with examples that show that this is possible, practical and may even be useful.
NASA Astrophysics Data System (ADS)
Buhr, Egbert; Guenther-Kohfahl, Susanne; Neitzel, Ulrich
2003-06-01
A simple variant of the edge method to determine the presampled modulation transfer function (MTF) of digital imaging detectors has been developed that produces sufficiently accurate MTF values for frequencies up to the Nyquist frequency limit of the detector with only a small amount of effort for alignment and computing. An oversampled edge spread function (ESF) is generated from the image of a slanted edge by rearranging the pixel data of N consecutive lines that correspond to a lateral shift of the edge of one pixel. The original data are used for the computational analysis without further data preprocessing. Since the number of lines leading to an edge shift of one pixel is generally a fractional number rather than an integer, a systematic error may be introduced in the MTF obtained. Simulations and theoretical investigations show that for all frequencies up to the Nyquist limit the relative error ΔMTF/MTF is below 1/(2N) and can thus be kept below a given threshold by a suitable choice of N. The method is especially useful for applications where the MTF is needed for frequencies up to the Nyquist frequency limit, like the determination of the detective quantum efficiency (DQE).
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.
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.
Determination of continuous system transfer functions from sampled pulse response data
NASA Astrophysics Data System (ADS)
Jordan, Jay B.
1993-09-01
A method for determining the transfer function of a continuous system from sampled responses to single and multiple pulse excitation is presented. The method is an extension of the sampled edge response method pioneered by the theoretical work of A. Papoulis in 1962 and the application of the theory to optical systems by B. Tatian in 1965. Occasions arise when pulse rather than step function stimuli are available for system excitations. In such cases, the method presented is practical for determining the system transfer function. The use of anti- aliasing filters and estimation of non-bandwidth limited transfer functions are also discussed.
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…
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…
Gao, Mingwu; Rose, William C; Fetics, Barry; Kass, David A; Chen, Chen-Huan; Mukkamala, Ramakrishna
2016-09-14
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.
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
Xu, Haojie; Lu, Yunfeng; Zhu, Shanan; He, Bin
2014-07-01
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 nonzero 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 this study, we first 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 time
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
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.
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.
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.
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
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.
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.
Snapp-Childs, Winona; Wilson, Andrew D; Bingham, Geoffrey P
2015-07-01
Under certain conditions, learning can transfer from a trained task to an untrained version of that same task. However, it is as yet unclear what those certain conditions are or why learning transfers when it does. Coordinated rhythmic movement is a valuable model system for investigating transfer because we have a model of the underlying task dynamic that includes perceptual coupling between the limbs being coordinated. The model predicts that (1) coordinated rhythmic movements, both bimanual and unimanual, are organised with respect to relative motion information for relative phase in the coupling function, (2) unimanual is less stable than bimanual coordination because the coupling is unidirectional rather than bidirectional, and (3) learning a new coordination is primarily about learning to perceive and use the relevant information which, with equal perceptual improvement due to training, yields equal transfer of learning from bimanual to unimanual coordination and vice versa [but, given prediction (2), the resulting performance is also conditioned by the intrinsic stability of each task]. In the present study, two groups were trained to produce 90° either unimanually or bimanually, respectively, and tested in respect to learning (namely improved performance in the trained 90° coordination task and improved visual discrimination of 90°) and transfer of learning (to the other, untrained 90° coordination task). Both groups improved in the task condition in which they were trained and in their ability to visually discriminate 90°, and this learning transferred to the untrained condition. When scaled by the relative intrinsic stability of each task, transfer levels were found to be equal. The results are discussed in the context of the perception-action approach to learning and performance.
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.
Theoretical model of the modulation transfer function for fiber optic taper
NASA Astrophysics Data System (ADS)
Wang, Yaoxiang; Tian, Weijian; Bin, XiangLi
2005-02-01
Fiber optic taper has been used more and more widely as a relay optical component in the integrated taper assembly image intensified sensors for military and medical imaging application. In this paper, the transmission characteristic of energy in the taper is analyzed, and following the generalized definition of the modulation transfer function for sampled imaging system, a spatial averaged impulse response and a corresponding MTF component that are inherent in the sampling process of taper are deduced, and the mathematical model for evaluating the modulation transfer function of fiber optic taper is built. Finally, the dynamic and static modulation transfer function curves simulated by computer have been exhibited.
Determination of continuous system transfer functions from sampled pulse response data
NASA Astrophysics Data System (ADS)
Jordan, Jay B.; Watkins, Wendell R.; Palacios, Fernando R.; Billingsley, Daniel R.
1994-12-01
A method for determining the transfer function of a continuous system from sampled responses to single- and multiple-pulse excitation is presented. The method is an extension of the sampled-edge-response method pioneered by the theoretical work of A. Papoulis in 1962 and the application of the theory to optical systems by B. Tatian in 1965. Occasions arise when pulse rather than step-function stimuli are available for system excitations. In such cases, the method presented is useful for determining the system transfer function. The use of antialiasing filters and estimation of non-bandwidth-limited transfer functions are discussed. Practical application of the method to characterizing the system transfer function of a commercial 8- to 12-micrometers infrared imager is also presented.
NASA Astrophysics Data System (ADS)
Ali, Abebe Mohammed; Skidmore, Andrew K.; Darvishzadeh, Roshanak; van Duren, Iris; Holzwarth, Stefanie; Mueller, Joerg
2016-12-01
Quantification of vegetation properties plays an important role in the assessment of ecosystem functions with leaf dry mater content (LDMC) and specific leaf area (SLA) being two key functional traits. For the first time, these two leaf traits have been estimated from the airborne images (HySpex) using the INFORM radiative transfer model and Continuous Wavelet Analysis (CWA). Ground truth data, were collected for 33 sample plots during a field campaign in July 2013 in the Bavarian Forest National Park, Germany, concurrent with the hyperspectral overflight. The INFORM model was used to simulate the canopy reflectance of the test site and the simulated spectra were transformed to wavelet features by applying CWA. Next, the top 1% strongly correlated wavelet features with the LDMC and SLA were used to develop predictive (regression) models. The two leaf traits were then retrieved using the CWA transformed HySpex imagery and the predictive models. The results were validated using R2 and the RMSE of the estimated and measured variables. Our results revealed strong correlations between six wavelet features and LDMC, as well as between four wavelet features and SLA. The wavelet features at 1741 nm (scale 5) and 2281 nm (scale 4) were the two most strongly correlated with LDMC and SLA respectively. The combination of all the identified wavelet features for LDMC yielded the most accurate prediction (R2 = 0.59 and RMSE = 4.39%). However, for SLA the most accurate prediction was obtained from the single most correlated feature: 2281 nm, scale 4 (R2 = 0.85 and RMSE = 4.90). Our results demonstrate the applicability of Continuous Wavelet Analysis (CWA) when inverting radiative transfer models, for accurate mapping of forest leaf functional traits.
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.
An accurate registration technique for distorted images
NASA Technical Reports Server (NTRS)
Delapena, Michele; Shaw, Richard A.; Linde, Peter; Dravins, Dainis
1990-01-01
Accurate registration of International Ultraviolet Explorer (IUE) images is crucial because the variability of the geometrical distortions that are introduced by the SEC-Vidicon cameras ensures that raw science images are never perfectly aligned with the Intensity Transfer Functions (ITFs) (i.e., graded floodlamp exposures that are used to linearize and normalize the camera response). A technique for precisely registering IUE images which uses a cross correlation of the fixed pattern that exists in all raw IUE images is described.
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…
Interactive Boundary Detection for Automatic Definition of 2D Opacity Transfer Function
NASA Astrophysics Data System (ADS)
Rauberger, Martin; Overhoff, Heinrich Martin
In computer assisted diagnostics nowadays, high-value 3-D visualization intake a supporting role to the traditional 2-D slice wise visualization. 3-D visualization may create intuitive visual appearances of the spatial relations of anatomical structures, based upon transfer functions mapping data values to visual parameters, e.g. color or opacity. Manual definition of these transfer functions however requires expert knowledge and can be tedious. In this paper an approach to automatizing 2-D opacity transfer function definition is presented. Upon few parameters characterizing the image volume and an user-depicted area of interest, the procedure detects organ surfaces automatically, upon which transfer functions may automatically be defined. Parameter setting still requires experience about the imaging properties of modalities, and improper setting can cause falsely detected organ surfaces. Procedure tests with CT and MRI image volumes show, that real time structure detection is even possible for noisy image volumes.
A MATRIX METHOD FOR THE DERIVATION OF TRANSFER FUNCTIONS IN TERMS OF PARTIAL FRACTIONS.
Matrix methods are used to obtain transfer functions of linear control systems directly in terms of partial fractions. Two examples are given, one containing simple roots and the other containing multiple roots. (Author)
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.
Vectorial point spread function and optical transfer function in oblique plane imaging.
Kim, Jeongmin; Li, Tongcang; Wang, Yuan; Zhang, Xiang
2014-05-05
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.
Environmental Acoustic Transfer Functions and the Filtering of Acoustic Signals
2005-03-21
function by the Sturm - Liouville Theorem (7). Then the left-hand side of the inner product equation is*X l;m;n Kl;m;nFl (z;H)Fm (y;L)Fn (x;W )l;m;nc...results of this thesis enable us to determine under which conditions a �ltering operation can successfully be performed on a set of received signals...signal being propagated at a location ~x0, and so the use of the Dirac delta function is appropriate in the use of a forcing function. A time-dependent
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.
Dimensionality Reduction on Multi-Dimensional Transfer Functions for Multi-Channel Volume Data Sets.
Kim, Han Suk; Schulze, Jürgen P; Cone, Angela C; Sosinsky, Gina E; Martone, Maryann E
2010-09-21
The design of transfer functions for volume rendering is a non-trivial task. This is particularly true for multi-channel data sets, where multiple data values exist for each voxel, which requires multi-dimensional transfer functions. In this paper, we propose a new method for multi-dimensional transfer function design. Our new method provides a framework to combine multiple computational approaches and pushes the boundary of gradient-based multi-dimensional transfer functions to multiple channels, while keeping the dimensionality of transfer functions at 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. Applying recently developed nonlinear dimensionality reduction algorithms reduces the high-dimensional data of the domain. In this paper, we use Isomap and Locally Linear Embedding as well as a traditional algorithm, Principle Component Analysis. Our results show that these dimensionality reduction algorithms significantly improve the transfer function design process without compromising visualization accuracy. We demonstrate the effectiveness of our new dimensionality reduction algorithms with two volumetric confocal microscopy data sets.
NASA Astrophysics Data System (ADS)
Fujii, Hiroyuki; Okawa, Shinpei; Yamada, Yukio; Hoshi, Yoko; Watanabe, Masao
2016-12-01
Numerical calculation of photon migration in biological tissue using the radiative transfer equation (RTE) has attracted great interests in biomedical optics and imaging. Because biological tissue is a highly forward-peaked scattering medium, a normalization of scattering phase function in the RTE is crucial. This paper proposes a simple way of normalizing the phase function by the double exponential formula, which is heuristically modified from the original one. The proposed method is validated by the agreement between the numerical solution of the RTE with the proposed method and analytical solution of the RTE for the case of a highly forward-peaked scattering medium, while the numerical solutions with conventional normalization methods disagree with the analytical solution. This result suggests the proposed method is accurate in numerical calculation of the RTE.
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
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.
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.
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.
NASA Astrophysics Data System (ADS)
Reinhardt, Colin N.; Tsintikidis, Dimitris; Hammel, Stephen; Kuga, Yasuo; Ritcey, James A.; Ishimaru, Akira
2012-03-01
Using an 850-nanometer-wavelength free-space optical (FSO)communications system of our own design, we acquired field data for the transmitted and received signals in fog at Point Loma, CA for a range of optical depths within the multiple-scattering regime. Statistical estimators for the atmospheric channel transfer function and the related coherency function were computed directly from the experimental data. We interpret the resulting channel transfer function estimates in terms of the physics of the atmospheric propagation channel and fog aerosol particle distributions. We investigate the behavior of the estimators using both real field-test data and simulated propagation data. We compare the field-data channel transfer function estimates against the outputs from a computationally-intensive radiative-transfer theory model-based approach, which we also developed previously for the FSO multiple-scattering atmospheric channel. Our results show that the data-driven channel transfer function estimates are in close agreement with the radiative transfer modeling, and provide comparable receiver signal detection performance improvements while being significantly less time and computationally-intensive.
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.
Venner, Eric; Lisewski, Andreas Martin; Erdin, Serkan; Ward, R Matthew; Amin, Shivas R; Lichtarge, Olivier
2010-12-13
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 Astrophysics Data System (ADS)
Ihrig, Arvid Conrad; Wieferink, Jürgen; Zhang, Igor Ying; Ropo, Matti; Ren, Xinguo; Rinke, Patrick; Scheffler, Matthias; Blum, Volker
2015-09-01
A key component in calculations of exchange and correlation energies is the Coulomb operator, which requires the evaluation of two-electron integrals. For localized basis sets, these four-center integrals are most efficiently evaluated with the resolution of identity (RI) technique, which expands basis-function products in an auxiliary basis. In this work we show the practical applicability of a localized RI-variant (‘RI-LVL’), which expands products of basis functions only in the subset of those auxiliary basis functions which are located at the same atoms as the basis functions. We demonstrate the accuracy of RI-LVL for Hartree-Fock calculations, for the PBE0 hybrid density functional, as well as for RPA and MP2 perturbation theory. Molecular test sets used include the S22 set of weakly interacting molecules, the G3 test set, as well as the G2-1 and BH76 test sets, and heavy elements including titanium dioxide, copper and gold clusters. Our RI-LVL implementation paves the way for linear-scaling RI-based hybrid functional calculations for large systems and for all-electron many-body perturbation theory with significantly reduced computational and memory cost.
NASA Astrophysics Data System (ADS)
Calvo, F.; Falvo, Cyril; Parneix, Pascal
2013-01-01
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.
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.
A Non-parametric Approach to Constrain the Transfer Function in Reverberation Mapping
NASA Astrophysics Data System (ADS)
Li, Yan-Rong; Wang, Jian-Min; Bai, Jin-Ming
2016-11-01
Broad emission lines of active galactic nuclei stem from a spatially extended region (broad-line region, BLR) that is composed of discrete clouds and photoionized by the central ionizing continuum. The temporal behaviors of these emission lines are blurred echoes of continuum variations (i.e., reverberation mapping, RM) and directly reflect the structures and kinematic information of BLRs through the so-called transfer function (also known as the velocity-delay map). Based on the previous works of Rybicki and Press and Zu et al., we develop an extended, non-parametric approach to determine the transfer function for RM data, in which the transfer function is expressed as a sum of a family of relatively displaced Gaussian response functions. Therefore, arbitrary shapes of transfer functions associated with complicated BLR geometry can be seamlessly included, enabling us to relax the presumption of a specified transfer function frequently adopted in previous studies and to let it be determined by observation data. We formulate our approach in a previously well-established framework that incorporates the statistical modeling of continuum variations as a damped random walk process and takes into account long-term secular variations which are irrelevant to RM signals. The application to RM data shows the fidelity of our approach.
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
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
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.
Raychaudhuri, Soumya; Korn, Joshua M; McCarroll, Steven A; Altshuler, David; Sklar, Pamela; Purcell, Shaun; Daly, Mark J
2010-09-09
Investigators have linked rare copy number variation (CNVs) to neuropsychiatric diseases, such as schizophrenia. One hypothesis is that CNV events cause disease by affecting genes with specific brain functions. Under these circumstances, we expect that CNV events in cases should impact brain-function genes more frequently than those events in controls. Previous publications have applied "pathway" analyses to genes within neuropsychiatric case CNVs to show enrichment for brain-functions. While such analyses have been suggestive, they often have not rigorously compared the rates of CNVs impacting genes with brain function in cases to controls, and therefore do not address important confounders such as the large size of brain genes and overall differences in rates and sizes of CNVs. To demonstrate the potential impact of confounders, we genotyped rare CNV events in 2,415 unaffected controls with Affymetrix 6.0; we then applied standard pathway analyses using four sets of brain-function genes and observed an apparently highly significant enrichment for each set. The enrichment is simply driven by the large size of brain-function genes. Instead, we propose a case-control statistical test, cnv-enrichment-test, to compare the rate of CNVs impacting specific gene sets in cases versus controls. With simulations, we demonstrate that cnv-enrichment-test is robust to case-control differences in CNV size, CNV rate, and systematic differences in gene size. Finally, we apply cnv-enrichment-test to rare CNV events published by the International Schizophrenia Consortium (ISC). This approach reveals nominal evidence of case-association in neuronal-activity and the learning gene sets, but not the other two examined gene sets. The neuronal-activity genes have been associated in a separate set of schizophrenia cases and controls; however, testing in independent samples is necessary to definitively confirm this association. Our method is implemented in the PLINK software package.
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.
Henyey-Greenstein and Mie phase functions in Monte Carlo radiative transfer computations.
Toublanc, D
1996-06-20
Monte Carlo radiative transfer simulation of light scattering in planetary atmospheres is not a simple problem, especially the study of angular distribution of light intensity. Approximate phase functions such as Henyey-Greenstein, modified Henyey-Greenstein, or Legendre polynomial decomposition are often used to simulate the Mie phase function. An alternative solution using an exact calculation alleviates these approximations.
Henyey-Greenstein and Mie phase functions in Monte Carlo radiative transfer computations
NASA Astrophysics Data System (ADS)
Toublanc, Dominique
1996-06-01
Monte Carlo radiative transfer simulation of light scattering in planetary atmospheres is not a simple problem, especially the study of angular distribution of light intensity. Approximate phase functions such as Henyey-Greenstein, modified Henyey-Greenstein, or Legendre polynomial decomposition are often used to simulate the Mie phase function. An alternative solution using an exact calculation alleviates these approximations.
Infinite space Green’s function of the time-dependent radiative transfer equation
Liemert, André; Kienle, Alwin
2012-01-01
This study contains the derivation of an infinite space Green’s function of the time-dependent radiative transfer equation in an anisotropically scattering medium based on analytical approaches. The final solutions are analytical regarding the time variable and given by a superposition of real and complex exponential functions. The obtained expressions were successfully validated with Monte Carlo simulations. PMID:22435101
Liu, Shubin; Ess, Daniel H.; Schauer, Cynthia
2011-04-20
Proton-coupled electron transfer (PCET) reactions occur in many biological and artificial solar energy conversion processes. In these reactions the electron is often transferred to a site distant to the proton acceptor site. In this work, we employ the dual descriptor and the electrophilic Fukui function from density functional reactivity theory (DFRT) to characterize the propensity for an electron to be transferred to a site other than the proton acceptor site. The electrophilic regions of hydrogen bond or van der Waal reactant complexes were examined using these DFRT descriptors to determine the region of space to which the electron is most likely to be transferred. This analysis shows that in PCET reactions the electrophilic region of the reactant complex does not include the proton acceptor site.
2016-09-06
Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations Zs. Rak...North Carolina State University, Raleigh, North Carolina 27695-7907, USA 2Department of Mechanical Engineering and Materials Science and Center for...random structures. For J14, Bader charges are transferable between the binary, ternary, and random structures. For J14þSc and J14þLi, average Bader
Gao, Ting; Sun, Shi-Ling; Shi, Li-Li; Li, Hui; Li, Hong-Zhi; Su, Zhong-Min; Lu, Ying-Hua
2009-05-14
Support vector machines (SVMs), as a novel type of learning machine, has been very successful in pattern recognition and function estimation problems. In this paper we introduce least-squares (LS) SVMs to improve the calculation accuracy of density functional theory. As a demonstration, this combined quantum mechanical calculation with LS-SVM correction approach has been applied to evaluate the electronic excitation energies of 160 organic molecules. The newly introduced LS-SVM approach reduces the root-mean-square deviation of the calculated electronic excitation energies of 160 organic molecules from 0.32 to 0.11 eV for the B3LYP/6-31G(d) calculation. Thus, the LS-SVM correction on top of B3LYP/6-31G(d) is a better method to correct electronic excitation energies and can be used as the approximation of experimental results which are impossible to obtain experimentally.
Uehara, Shota; Tanaka, Shigenori
2016-11-23
Water plays a significant role in the binding process between protein and ligand. However, the thermodynamics of water molecules are often underestimated, or even ignored, in protein-ligand docking. Usually, the free energies of active-site water molecules are substantially different from those of waters in the bulk region. The binding of a ligand to a protein causes a displacement of these waters from an active site to bulk, and this displacement process substantially contributes to the free energy change of protein-ligand binding. The free energy of active-site water molecules can be calculated by grid inhomogeneous solvation theory (GIST), using molecular dynamics (MD) and the trajectory of a target protein and water molecules. Here, we show a case study of the combination of GIST and a docking program and discuss the effectiveness of the displacing gain of unfavorable water in protein-ligand docking. We combined the GIST-based desolvation function with the scoring function of AutoDock4, which is called AutoDock-GIST. The proposed scoring function was assessed employing 51 ligands of coagulation factor Xa (FXa), and results showed that both scoring accuracy and docking success rate were improved. We also evaluated virtual screening performance of AutoDock-GIST using FXa ligands in the directory of useful decoys-enhanced (DUD-E), thus finding that the displacing gain of unfavorable water is effective for a successful docking campaign.
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.
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 WK; Gandellini, Paolo; Freeman, Michael R; Demichelis, Francesca; Di Vizio, Dolores
2013-01-01
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. PMID:24091630
NASA Astrophysics Data System (ADS)
Greynolds, Alan W.
2016-09-01
Previous research on optical surface scatter either assumed for the ACV (Auto-Covariance function) a simple analytical but unrealistic Gaussian form or depended on intensive numerical integrations. Measurements of polished optical surfaces indicate they accurately follow a simple inverse power law for the BSDF (Bi-directional Scatter Distribution Function) and the related PSD (Power Spectral Density) of their random height variations, i.e. they are fractal-like. By applying the appropriate limits to the scale-invariant (no intrinsic correlation length) PSD, a general analytic form for the corresponding ACV and STF (Surface or Scatter Transfer Function) can be derived. Combined with other Fourier-Bessel transform pairs, it's possible to accurately simulate the effect of not only diffraction and aberrations such as defocus (via the system OTF or Optical Transfer Function) but also surface and particulate scatter on the incoherent imaging of highcontrast fine-detail scenes. Simple examples of Gaussian and point objects are first presented followed by application to digital cameras that require integrating the aerial image over each pixel's active area. The needed subsampling for a camera with over ten million pixels (each only few microns in size) requires two-dimensional FFTs (Fast Fourier Transforms) of many gigabytes to accurately perform the detailed imaging calculations.
Barone, Veronica; Hod, Oded; Peralta, Juan E; Scuseria, Gustavo E
2011-04-19
Over the last several years, low-dimensional graphene derivatives, such as carbon nanotubes and graphene nanoribbons, have played a central role in the pursuit of a plausible carbon-based nanotechnology. Their electronic properties can be either metallic or semiconducting depending purely on morphology, but predicting their electronic behavior has proven challenging. The combination of experimental efforts with modeling of these nanometer-scale structures has been instrumental in gaining insight into their physical and chemical properties and the processes involved at these scales. Particularly, approximations based on density functional theory have emerged as a successful computational tool for predicting the electronic structure of these materials. In this Account, we review our efforts in modeling graphitic nanostructures from first principles with hybrid density functionals, namely the Heyd-Scuseria-Ernzerhof (HSE) screened exchange hybrid and the hybrid meta-generalized functional of Tao, Perdew, Staroverov, and Scuseria (TPSSh). These functionals provide a powerful tool for quantitatively studying structure-property relations and the effects of external perturbations such as chemical substitutions, electric and magnetic fields, and mechanical deformations on the electronic and magnetic properties of these low-dimensional carbon materials. We show how HSE and TPSSh successfully predict the electronic properties of these materials, providing a good description of their band structure and density of states, their work function, and their magnetic ordering in the cases in which magnetism arises. Moreover, these approximations are capable of successfully predicting optical transitions (first and higher order) in both metallic and semiconducting single-walled carbon nanotubes of various chiralities and diameters with impressive accuracy. This versatility includes the correct prediction of the trigonal warping splitting in metallic nanotubes. The results predicted
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.
Hallen, Mark A; Jou, Jonathan D; Donald, Bruce R
2016-09-28
Most protein design algorithms search over discrete conformations and an energy function that is residue-pairwise, that is, a sum of terms that depend on the sequence and conformation of at most two residues. Although modeling of continuous flexibility and of non-residue-pairwise energies significantly increases the accuracy of protein design, previous methods to model these phenomena add a significant asymptotic cost to design calculations. We now remove this cost by modeling continuous flexibility and non-residue-pairwise energies in a form suitable for direct input to highly efficient, discrete combinatorial optimization algorithms such as DEE/A* or branch-width minimization. Our novel algorithm performs a local unpruned tuple expansion (LUTE), which can efficiently represent both continuous flexibility and general, possibly nonpairwise energy functions to an arbitrary level of accuracy using a discrete energy matrix. We show using 47 design calculation test cases that LUTE provides a dramatic speedup in both single-state and multistate continuously flexible designs.
Empirical evaluation of the anisoplanatic bispectrum transfer function for extended objects
NASA Astrophysics Data System (ADS)
Bos, Jeremy P.
2016-09-01
In contrast to theory, speckle imaging has proven an effective tool for scene recovery over long horizontal paths where imaging distortions are highly anisoplanatic. One possible explanation for this efficacy is that the atmospheric bispectrum transfer function is less attenuated at higher spatial frequencies when the object is extended and not a pair of point sources, as examined by theory. In this work, I empirically evaluate the speckle, cross-spectrum, and bispectrum transfer functions by comparing these quantities as derived from both field and simulation data to a simulated diffraction-limited reference image. The empirical transfer function relationships are found by comparing turbulence quantities to those of their diffraction-limited counterparts.
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.
Evaluation of free-field transfer functions in anomalous reverberant fields
NASA Astrophysics Data System (ADS)
Cheng, Guo; He, Lin; Xu, Rongwu
2017-01-01
The structural-acoustic transfer functions of complex structures are often measured in anomalous reverberant environments. Aiming to eliminating the influences of these reverberant fields on structural-acoustic transfer functions, an impulse-based synchronization average evaluation method is proposed. Structures are actuated according to an impulse signal, and the response signals are synchronized in time and averaged in space. This method does not require complex data processing, and the free-field transfer functions can be obtained based on the measurements in reverberant fields and the transfer characteristics of the structures are preserved. Moreover, in combination with the principle of reciprocity, the proposed method does not require the installation of impulse actuators in structures. The proposed method is verified numerically and validated in a deep lake experiment using a cylindrical model. The results show that the structural-acoustic transfer functions in the profundal zone can be effectively evaluated using the data collected in the shallow zone, and the error is less than 3 dB at most frequencies.
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.
Pavelcík, Frantisek; Václavík, Jirí
2010-09-01
The automatic building of protein structures with tripeptidic and tetrapeptidic fragments was investigated. The oligopeptidic conformers were positioned in the electron-density map by a phased rotation, conformation and translation function and refined by a real-space refinement. The number of successfully located fragments lay within the interval 75-95% depending on the resolution and phase quality. The overlaps of partially located fragments were analyzed. The correctly positioned fragments were connected into chains. Chains formed in this way were extended directly into the electron density and a sequence was assigned. In the initial stage of the model building the number of located fragments was between 60% and 95%, but this number could be increased by several cycles of reciprocal-space refinement and automatic model rebuilding. A nearly complete structure can be obtained on the condition that the resolution is reasonable. Computer graphics will only be needed for a final check and small corrections.
Accurate Ground-State Energies of Solids and Molecules from Time-Dependent Density-Functional Theory
NASA Astrophysics Data System (ADS)
Olsen, Thomas; Thygesen, Kristian S.
2014-05-01
We demonstrate that ground-state energies approaching chemical accuracy can be obtained by combining the adiabatic-connection fluctuation-dissipation theorem with time-dependent density-functional theory. The key ingredient is a renormalization scheme, which eliminates the divergence of the correlation hole characteristic of any local kernel. This new class of renormalized kernels gives a significantly better description of the short-range correlations in covalent bonds compared to the random phase approximation (RPA) and yields a fourfold improvement of RPA binding energies in both molecules and solids. We also consider examples of barrier heights in chemical reactions, molecular adsorption, and graphene interacting with metal surfaces, which are three examples where the RPA has been successful. In these cases, the renormalized kernel provides results that are of equal quality or even slightly better than the RPA, with a similar computational cost.
NASA Technical Reports Server (NTRS)
Chen, M. H.; Berger, R. D.; Saul, J. P.; Stevenson, K.; Cohen, R. J.
1987-01-01
We report a new method for the noninvasive characterization of the frequency response of the autonomic nervous system (ANS) in mediating fluctuations in heart rate (HR). The approach entails computation of the transfer function magnitude and phase between instantaneous lung volume and HR. Broad band fluctuations in lung volume were initiated when subjects breathed on cue to a sequence of beeps spaced randomly in time. We studied 10 subjects in both supine and standing positions. The transfer function, averaged among all the subjects, showed systematic differences between the two postures, reflecting the differing frequency responses of the sympathetic and parasympathetic divisions of the ANS.
Structuring feature space: a non-parametric method for volumetric transfer function generation.
Maciejewski, Ross; Woo, Insoo; Chen, Wei; Ebert, David S
2009-01-01
The use of multi-dimensional transfer functions for direct volume rendering has been shown to be an effective means of extracting materials and their boundaries for both scalar and multivariate data. The most common multi-dimensional transfer function consists of a two-dimensional (2D) histogram with axes representing a subset of the feature space (e.g., value vs. value gradient magnitude), with each entry in the 2D histogram being the number of voxels at a given feature space pair. Users then assign color and opacity to the voxel distributions within the given feature space through the use of interactive widgets (e.g., box, circular, triangular selection). Unfortunately, such tools lead users through a trial-and-error approach as they assess which data values within the feature space map to a given area of interest within the volumetric space. In this work, we propose the addition of non-parametric clustering within the transfer function feature space in order to extract patterns and guide transfer function generation. We apply a non-parametric kernel density estimation to group voxels of similar features within the 2D histogram. These groups are then binned and colored based on their estimated density, and the user may interactively grow and shrink the binned regions to explore feature boundaries and extract regions of interest. We also extend this scheme to temporal volumetric data in which time steps of 2D histograms are composited into a histogram volume. A three-dimensional (3D) density estimation is then applied, and users can explore regions within the feature space across time without adjusting the transfer function at each time step. Our work enables users to effectively explore the structures found within a feature space of the volume and provide a context in which the user can understand how these structures relate to their volumetric data. We provide tools for enhanced exploration and manipulation of the transfer function, and we show that the initial
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.
General Transfer-Function Approach to Noise Filtering in Open-Loop Quantum Control
NASA Astrophysics Data System (ADS)
Paz-Silva, Gerardo A.; Viola, Lorenza
2014-12-01
We present a general transfer-function approach to noise filtering in open-loop Hamiltonian engineering protocols for open quantum systems. We show how to identify a computationally tractable set of fundamental filter functions, out of which arbitrary transfer filter functions may be assembled up to arbitrary high order in principle. Besides avoiding the infinite recursive hierarchy of filter functions that arises in general control scenarios, this fundamental filter-function set suffices to characterize the error suppression capabilities of the control protocol in both the time and the frequency domain. We prove that the resulting notion of filtering order reveals conceptually distinct, albeit complementary, features of the controlled dynamics as compared to the order of error cancellation, traditionally defined in the Magnus sense. Examples and implications are discussed.
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, Jie; Herbert, John M
2015-07-21
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.
Johnson, Erin R; Salamone, Michela; Bietti, Massimo; DiLabio, Gino A
2013-02-07
Conventional density-functional theory (DFT) has the potential to overbind radical-molecule complexes because of erroneous charge transfer. We examined this behavior by exploring the ability of various DFT approximations to predict fractional charge transfer and by quantifying the overbinding in a series of complexes. It is demonstrated that too much charge is transferred from molecules to radicals when the radical singly unoccupied molecular orbitals are predicted to be erroneously too low in energy relative to the molecule highest occupied molecular orbitals, leading to excessive Coulombic attraction. In this respect, DFT methods formulated with little or no Hartree-Fock exchange perform most poorly. The present results illustrate that the charge-transfer problem is much broader than may have been previously expected and is not limited to conventional (i.e., molecule-molecule) donor-acceptor complexes.
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.
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 Energy Function and Spectroscopic Study for G1Πg State of Dimer 7Li2
NASA Astrophysics Data System (ADS)
Shi, De-Heng; Ma, Heng; Sun, Jin-Feng; Zhu, Zun-Lue
2007-06-01
The reasonable dissociation limit for the G1Πg state of dimer 7Li2 is determined. The equilibrium internuclear distance, dissociation energy, harmonic frequency, vibrational zero energy, and adiabatic excitation energy are calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space in Gaussian03 program package at such numerous basis sets as 6-311++G, 6-311++G(2df,2pd), 6-311++G(2df,p), cc-PVTZ, 6-311++G(3df,3pd), CEP-121G, 6-311++G(2df,pd), 6-311++G(d,p),6-311G(3df,3pd), D95(3df,3pd), 6-311++G(3df,2p), 6-311++G(2df), 6-311++G(df,pd) D95V++, and DGDZVP. The complete potential energy curves are obtained at these sets over a wide internuclear distance range and have least squares fitted to Murrell-Sorbie function. The conclusion shows that the basis set 6-311++G(2df,p) is a most suitable one for the G1Πg state. At this basis set, the calculated spectroscopic constants Te, De, E0, Re, ωe, ωeχe, αe, and Be are of 3.9523 eV, 0.813 06 eV, 113.56 cm-1, 0.320 15 nm, 227.96 cm-1, 1.6928 cm-1, 0.004 436 cm-1, and 0.4689 cm-1, respectively, which are in good agreement with measurements whenever available. The total 50 vibrational levels and corresponding inertial rotation constants are for the first time calculated and compared with available RKR data. And good agreement with measurements is obtained.
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.
A method for quantifying the acoustic transfer function of a ducted rotor
NASA Astrophysics Data System (ADS)
Stephens, D. B.; Morris, S. C.
2008-06-01
This paper describes a method for analyzing the sound radiated by a low-speed axial flow ducted fan. The radiated sound depends on both the sound generated by the rotor and the geometry of the surfaces surrounding the source region. These surfaces act to modify the spectral content of the sound as perceived by an observer outside of the duct. The fan was considered as a compact region of axial dipole sources, so that the radiated sound could be described as the product of a frequency-dependent unsteady force and an effective transfer function. The primary goal of this study was to develop a method for quantifying the acoustic transfer function for this general class of system using radiated sound measurements. Microphone measurements were acquired of the radiated sound generated by a ten-bladed fan operating inside a finite length rigid duct. Two fundamental frequencies were found to be inherent in the system, one based on the parameters of the sound source, and the other based on the geometry of the duct. As previous studies have found, these two frequency scales allow for the separation of the radiated sound into source and transfer function spectra. A unique method for determining these separate functions is presented, with the primary assumption that the aeroacoustic sources follow a power law relationship with rotor tip relative speed. The resulting algorithm was shown to effectively quantify the acoustic transfer function. A set of mathematically defined input functions was used to evaluate the efficacy of the separation method. Additionally, the ducted rotor system was operated over a range of flow rates to produce different sound sources, and the transfer function calculated by the algorithm was found to be independent of this source mechanism.
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.
Roettger, Mayo; Martin, William; Dagan, Tal
2009-09-01
Among the methods currently used in phylogenomic practice to detect the presence of lateral gene transfer (LGT), one of the most frequently employed is the comparison of gene tree topologies for different genes. In cases where the phylogenies for different genes are incompatible, or discordant, for well-supported branches there are three simple interpretations for the result: 1) gene duplications (paralogy) followed by many independent gene losses have occurred, 2) LGT has occurred, or 3) the phylogeny is well supported but for reasons unknown is nonetheless incorrect. Here, we focus on the third possibility by examining the properties of 22,437 published multiple sequence alignments, the Bayesian maximum likelihood trees for which either do or do not suggest the occurrence of LGT by the criterion of discordant branches. The alignments that produce discordant phylogenies differ significantly in several salient alignment properties from those that do not. Using a support vector machine, we were able to predict the inference of discordant tree topologies with up to 80% accuracy from alignment properties alone.
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.
NASA Astrophysics Data System (ADS)
Zeng, Dong; Gong, Changfei; Bian, Zhaoying; Huang, Jing; Zhang, Xinyu; Zhang, Hua; Lu, Lijun; Niu, Shanzhou; Zhang, Zhang; Liang, Zhengrong; Feng, Qianjin; Chen, Wufan; Ma, Jianhua
2016-11-01
Dynamic myocardial perfusion computed tomography (MPCT) is a promising technique for quick diagnosis and risk stratification of coronary artery disease. However, one major drawback of dynamic MPCT imaging is the heavy radiation dose to patients due to its dynamic image acquisition protocol. In this work, to address this issue, we present a robust dynamic MPCT deconvolution algorithm via adaptive-weighted tensor total variation (AwTTV) regularization for accurate residue function estimation with low-mA s data acquisitions. For simplicity, the presented method is termed ‘MPD-AwTTV’. More specifically, the gains of the AwTTV regularization over the original tensor total variation regularization are from the anisotropic edge property of the sequential MPCT images. To minimize the associative objective function we propose an efficient iterative optimization strategy with fast convergence rate in the framework of an iterative shrinkage/thresholding algorithm. We validate and evaluate the presented algorithm using both digital XCAT phantom and preclinical porcine data. The preliminary experimental results have demonstrated that the presented MPD-AwTTV deconvolution algorithm can achieve remarkable gains in noise-induced artifact suppression, edge detail preservation, and accurate flow-scaled residue function and MPHM estimation as compared with the other existing deconvolution algorithms in digital phantom studies, and similar gains can be obtained in the porcine data experiment.
Vargas, Alfredo; Krivokapic, Itana; Hauser, Andreas; Lawson Daku, Latévi Max
2013-03-21
We report a detailed DFT study of the energetic and structural properties of the spin-crossover Co(ii) complex [Co(tpy)(2)](2+) (tpy = 2,2':6',2''-terpyridine) in the low-spin (LS) and the high-spin (HS) states, using several generalized gradient approximation and hybrid functionals. In either spin-state, the results obtained with the functionals are consistent with one another and in good agreement with available experimental data. Although the different functionals correctly predict the LS state as the electronic ground state of [Co(tpy)(2)](2+), they give estimates of the HS-LS zero-point energy difference which strongly depend on the functional used. This dependency on the functional was also reported for the DFT estimates of the zero-point energy difference in the HS complex [Co(bpy)(3)](2+) (bpy = 2,2'-bipyridine) [A. Vargas, A. Hauser and L. M. Lawson Daku, J. Chem. Theory Comput., 2009, 5, 97]. The comparison of the and estimates showed that all functionals correctly predict an increase of the zero-point energy difference upon the bpy → tpy ligand substitution, which furthermore weakly depends on the functionals, amounting to . From these results and basic thermodynamic considerations, we establish that, despite their limitations, current DFT methods can be applied to the accurate determination of the spin-state energetics of complexes of a transition metal ion, or of these complexes in different environments, provided that the spin-state energetics is accurately known in one case. Thus, making use of the availability of a highly accurate ab initio estimate of the HS-LS energy difference in the complex [Co(NCH)(6)](2+) [L. M. Lawson Daku, F. Aquilante, T. W. Robinson and A. Hauser, J. Chem. Theory Comput., 2012, 8, 4216], we obtain for [Co(tpy)(2)](2+) and [Co(bpy)(3)](2+) best estimates of and , in good agreement with the known magnetic behaviour of the two complexes.
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).
Li, Ji-Lai; Mata, Ricardo A; Ryde, Ulf
2013-03-12
The oxygen-atom transfer reaction catalyzed by the mononuclear molybdenum enzyme dimethyl sulfoxide reductase (DMSOR) has attracted considerable attention through both experimental and theoretical studies. We show here that this reaction is more sensitive to details of quantum mechanical calculations than what has previously been appreciated. Basis sets of at least triple-ζ quality are needed to obtain qualitatively correct results. Dispersion has an appreciable effect on the reaction, in particular the binding of the substrate or the dissociation of the product (up to 34 kJ/mol). Polar and nonpolar solvation effects are also significant, especially if the enzyme can avoid cavitation effects by using a preformed active-site cavity. Relativistic effects are considerable (up to 22 kJ/mol), but they are reasonably well treated by a relativistic effective core potential. Various density-functional methods give widely different results for the activation and reaction energy (differences of over 100 kJ/mol), mainly reflecting the amount of exact exchange in the functional, owing to the oxidation of Mo from +IV to +VI. By calibration toward local CCSD(T0) calculations, we show that none of eight tested functionals (TPSS, BP86, BLYP, B97-D, TPSSH, B3LYP, PBE0, and BHLYP) give accurate energies for all states in the reaction. Instead, B3LYP gives the best activation barrier, whereas pure functionals give more accurate energies for the other states. Our best results indicate that the enzyme follows a two-step associative reaction mechanism with an overall activation enthalpy of 63 kJ/mol, which is in excellent agreement with the experimental results.
NASA Astrophysics Data System (ADS)
Reinhardt, Colin N.; Kuga, Yasuo; Ritcey, James A.; Ishimaru, Akira; Hammel, Stephen; Tsintikidis, Dimitris
2011-09-01
The performance of terrestrial free-space optical communications systems is severely impaired by atmospheric aerosol particle distributions where the particle size is on the order of the operating wavelength. For optical and near-infrared wavelengths, fog droplets cause multiple-scattering and absorption effects which rapidly degrade received symbol detection performance as the optical depth parameter increases (visibility decreases). Using a custom free-space optical communications system we measured field data in fog within the optical multiple-scattering regime. We investigate the behavior of the estimated channel transfer function using both real field-test data and simulated propagation data based on field-test conditions. We then compare the channel transfer function estimates against the predictions computed using a radiative-transfer theory model-based approach which we also developed previously for the free-space optical atmospheric channel.
NASA Astrophysics Data System (ADS)
Elgohary, Tarek A.; Turner, James D.; Junkins, John L.
2015-06-01
A symmetric flexible rotating spacecraft can be modeled as a distributed parameter system of a rigid hub attached to two flexible appendages with tip masses. First, Hamilton's extended principle is utilized to establish a general treatment for deriving the dynamics of multi-body dynamical systems to establish a hybrid system of integro-partial differential equations that model the evolution of the system in space and time. A Generalized State Space (GSS) system of equations is constructed in the frequency domain to obtain analytic transfer functions for the rotating spacecraft. This model does not include spatial discretization. The frequency response of the generally modeled spacecraft and a special case with no tip masses are presented. Numerical results for the system frequency response obtained from the analytic transfer functions are presented and compared against the classical assumed modes numerical method with two choices of admissible functions. The truncation-error-free analytic results are used to validate the numerical approximations and to agree well with the classical widely used finite dimensional numerical solutions. Fundamentally, we show that the rigorous transfer function, without introduction of spatial discretization, can be directly used in control law design with a guarantee of Lyapunov stable closed loop dynamics. The frequency response of the system is used in a classical control problem where the Lyapunov stable controller is derived and tested for gain selection. The correlation between the controller design in the frequency domain utilizing the analytic transfer functions and the system response is analyzed and verified. The derived analytic transfer functions provide a powerful tool to test various control schemes in the frequency domain and a validation platform for existing numerical methods for distributed parameters models. The same platform has been used to obtain the frequency response of more complex beam models following
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
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.
Vidal, Sébastien; Luce, Jacques; Penninckx, Denis
2011-01-01
We report on what we believe is the first experimental demonstration of the linear precompensation of a nonlinear transfer function due to frequency conversion. As a proof of principle, we show the effective precompensation with an interferometric filter of FM-to-AM conversion due to second-harmonic generation in a potassium titanyl phosphate crystal.
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.
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…
Back-illuminated CCD imager adapted for contrast transfer function measurements thereon
NASA Technical Reports Server (NTRS)
Levine, Peter A. (Inventor)
1987-01-01
Stripe patterns of varying spatial frequency, formed in the top-metalization of a back-illuminated solid-state imager, facilitate on-line measurement of contrast transfer function during wafer-probe testing. The imager may be packaged to allow front-illumination during in-the-field testing after its manufacture.
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…
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.
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.
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.
Otón, Joaquín; Sorzano, Carlos Oscar S; Marabini, Roberto; Pereiro, Eva; Carazo, Jose M
2015-04-20
Soft X-ray tomography (SXT) is becoming a powerful imaging technique to analyze eukaryotic whole cells close to their native state. Central to the analysis of the quality of SXT 3D reconstruction is the estimation of the spatial resolution and Depth of Field of the X-ray microscope. In turn, the characterization of the Modulation Transfer Function (MTF) of the optical system is key to calculate both parameters. Consequently, in this work we introduce a fully automated technique to accurately estimate the transfer function of such an optical system. Our proposal is based on the preprocessing of the experimental images to obtain an estimate of the input pattern, followed by the analysis in Fourier space of multiple orders of a Siemens Star test sample, extending in this way its measured frequency range.
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.
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
Mechanism of transfer of functional microRNAs between mouse dendritic cells via exosomes.
Montecalvo, Angela; Larregina, Adriana T; Shufesky, William J; Stolz, Donna Beer; 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; Morelli, Adrian E
2012-01-19
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.
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
A new method to determine the electrical transfer function of the human thorax.
Goldberger, Jeffrey J; Subacius, Haris; Sen-Gupta, Indranil; Johnson, David; Kadish, Alan H; Ng, Jason
2007-12-01
Traditional analyses have assumed that cardiac electrical activity is reflected on the surface ECG without distortion as the signal passes through the body tissues. This study aims to explore the frequency dependence of thoracic attenuation of surface-recorded intracardiac electrical activity. Twenty patients (14 men, 55 +/- 15 yr of age) undergoing electrophysiological study were enrolled. Rectangular unipolar stimuli were applied from a catheter positioned in the right ventricular apical area and another in the posteroseptal area without contact with the myocardium. An orthogonal Frank-lead surface ECG and a unipolar intracardiac electrogram near the pacing site were recorded. Frequency domain characteristics of the signal-averaged pacing impulses were analyzed. Linear regression analysis showed significant frequency-dependent attenuation in the magnitude transfer functions (R(2) = 0.84-0.89, P < 0.0001) and good linear fit for the phase transfer characteristics (R(2) = 0.98-1.0, P < 0.0001). Age, physical dimension, and respiratory characteristics had significant effects on the magnitude and phase characteristics of the transfer functions. Application of models of the low- and high-slope transfer functions to signal-averaged ECGs from 33 subjects showed differences in the attenuation of P and T waves relative to the QRS.
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.
NASA Astrophysics Data System (ADS)
Huang, Yu; Zhang, Zheng; Jin, Chen; Xie, Yijun; Wang, Wenai; Sun, Ping
2016-10-01
The water vapor noise will affect the accuracy of the extracted optical parameters based on terahertz time domain spectroscopy technology. Because vapor noise has the characteristics of wide distribution and high intensity, the existing denoising methods cannot be effectively applied to the THz signal with vapor noise. In this paper, a numerical denoising method is presented. First, based on Van Vleck-Weisskopf lineshape function and the linear absorption spectrum of water molecules in the HITRAN database, we have simulated the water vapor absorption spectrum with line width, and the continuum effect of water vapor molecules are considered in the simulation. Then, the transfer function of different humidity is constructed by the calculation of the water vapor absorption coefficient and the real refractive index; Finally, based on the propagation factor formula of the mutual effects of THz wave and water vapor, the THz signal of the Lacidipine sample containing vapor noise in the continuous frequency domain of 0.3-1.8THz is denoised by using the constructed transfer function of the water vapor; the optical parameters of the sample signal before and after denoising can be extracted. It can be seen that the optical parameters extracted from the denoised signal are close to the optical parameters in the nitrogen environment, which proves the effectiveness of denoising. Under low humidity, this method can still accurately extract the optical parameters of samples without nitrogen filling, which saves the cost, enhances the convenience of the application of terahertz time domain spectroscopy in pharmaceutical production, safety inspection, imaging etc.
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.
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.
Charge Transfer Directed Radical Substitution Enables para-Selective C–H Functionalization
Boursalian, Gregory B.; Ham, Won Seok; Mazzotti, Anthony R.; Ritter, Tobias
2016-01-01
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 which enables nearly complete para selectivity. We propose that radicals with high electron affinity elicit areneto-radical charge transfer in the transition state of radical addition, which is the factor primarily responsible for high positional selectivity. We demonstrate that the selectivity is predictable by a simple theoretical tool 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 charge transfer directed radical substitution could serve as the basis for the development of new, highly selective C–H functionalization reactions. PMID:27442288
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.
Lee, Jihye; Lee, Jun-Young; Yeo, Jong-Souk
2017-02-01
This paper demonstrates a facile method to achieve high yield and uniform fabrication for the transfer printing of nanoplasmonic structures on a flexible substrate by providing novel understanding on adhesion layers. The mercapto alkyl carboxylic acids and the alkyl dithiols are used as functionalized adhesion layers and further optimized by controlling the terminal group as well as the length and composition of the functionalization on flat and nanostructured gold surfaces. Our approach of optimized adhesion has been successfully implemented to the transfer printing of functionalized gold nanostructure arrays, thus producing much higher yield of 97.6% and uniform fabrication of nanostructures on a flexible substrate and enabling applications such as flexible nanoplasmonic devices and biosensing platforms.
Amin, Smruti B; Marks, Tobin J
2008-01-01
Chain-transfer processes represent highly effective chemical means to achieve selective, in situ d- and f-block-metal catalyzed functionalization of polyolefins. A diverse variety of electron-poor and electron-rich chain-transfer agents, including silanes, boranes, alanes, phosphines, and amines, effect efficient chain termination with concomitant carbon-heteroelement bond formation during single-site olefin-polymerization processes. High polymerization activities, control of polyolefin molecular weight and microstructure, and selective chain functionalization are all possible, with distinctly different mechanisms operative for the electron-poor and electron-rich reagents. A variety of metal centers (early transition metals, lanthanides, late transition metals) and single-site ancillary ligand arrays (metallocene, half-metallocene, non-metallocene) are able to mediate these selective chain-termination/functionalization processes.
Borgis, Daniel; Gendre, Lionel; Ramirez, Rosa
2012-03-01
A molecular density functional theory of solvation is presented. The solvation properties of an arbitrary solute in a given solvent, both described by a molecular force field, can be obtained by minimization of a position- and orientation-dependent free-energy density functional. In the homogeneous reference fluid approximation, the unknown excess term of the functional can be approximated by the angular-dependent direct correlation function of the pure solvent. This function can be extracted from a preliminary MD simulation of the pure solvent by computing the angular-dependent pair distribution function and solving subsequently the molecular Ornstein-Zernike equation. The corresponding functional can then be minimized on a three-dimensional cubic grid for positions and a Gauss-Legendre angular grid for orientations to provide the solvation free energy of embedded molecules at the same time as the solvent three-dimensional microscopic structure. This functional minimization procedure is much more efficient than direct molecular dynamics simulations combined with thermodynamic integration schemes. The approach is shown to be also pertinent to the molecular-level determination of electron-transfer properties such as reaction free energy and reorganization energy. It is illustrated for molecular solvation and photochemical electron-transfer reactions in acetonitrile, a prototypical polar aprotic solvent.
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).
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
Krenning, Boudewijn J; Voormolen, Marco M; van Geuns, Robert-Jan; Vletter, W B; Lancée, Charles T; de Jong, Nico; Ten Cate, Folkert J; van der Steen, Anton F W; Roelandt, Jos R T C
2006-07-01
Measurement of left ventricular (LV) volume and function are the most common clinical referral questions to the echocardiography laboratory. A fast, practical, and accurate method would offer important advantages to obtain this important information. To validate a new practical method for rapid measurement of LV volume and function. We developed a continuous fast-rotating transducer, with second-harmonic capabilities, for three-dimensional echocardiography (3DE). Fifteen cardiac patients underwent both 3DE and magnetic resonance imaging (reference method) on the same day. 3DE image acquisition was performed during a 10-second breath-hold with a frame rate of 100 frames/sec and a rotational speed of 6 rotations/sec. The individual images were postprocessed with Matlab software using multibeat data fusion. Subsequently, with these images, 12 datasets per cardiac cycle were reconstructed, each comprising seven equidistant cross-sectional images for analysis in the new TomTec 4DLV analysis software, which uses a semi-automated border detection (ABD) algorithm. The ABD requires an average analysis time of 15 minutes per patient. A strong correlation was found between LV end-diastolic volume (r = 0.99; y = 0.95x - 1.14 ml; SEE = 6.5 ml), LV end-systolic volume (r = 0.96; y = 0.89x + 7.91 ml; SEE = 7.0 ml), and LV ejection fraction (r = 0.93; y = 0.69x + 13.36; SEE = 2.4%). Inter- and intraobserver agreement for all measurements was good. The fast-rotating transducer with new ABD software is a dedicated tool for rapid and accurate analysis of LV volume and function.
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.
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
Transfer Function Analysis of the Longitudinal Motion of the Common Carotid Artery Wall
Yli-Ollila, Heikki; Tarvainen, Mika P.; Laitinen, Tomi P.; Laitinen, Tiina M.
2016-01-01
The longitudinal motion of the carotid wall is a potential new measure of arterial stiffness. Despite the over decade long research on the subject, the driving force and the specific longitudinal kinetics of the carotid wall has remained unclear. In this study, a transfer function analysis with 20 healthy subjects is presented to derive how the energy from the blood pressure moves the innermost arterial wall longitudinally and how the kinetic energy is then transferred to the outermost arterial layer. The power spectrums display that the main kinetic energy of the longitudinal motion is on band 0–3 Hz with a peak on the 1.1 Hz frequency. There is a large variation among the individuals, how the energy from the blood pressure transfers into the longitudinal motion of the arterial wall since the main direction of the longitudinal motion varies individually and because early arterial stiffening potentially has an effect on the time characteristics of the energy transfer. The energy transfer from the innermost to the outermost wall layer is more straightforward: on average, a 17% of the longitudinal amplitude is lost and an 18.9 ms delay is visible on the 1.0 Hz frequency. PMID:28082917
Innate Functions of Immunoglobulin M Lessen Liver Gene Transfer with Helper-Dependent Adenovirus
Unzu, Carmen; Morales-Kastresana, Aizea; Sampedro, Ana; Serrano-Mendioroz, Irantzu; Azpilikueta, Arantza; Ochoa, María Carmen; Dubrot, Juan; Martínez-Ansó, Eduardo
2014-01-01
The immune system poses obstacles to viral vectors, even in the first administration to preimmunized hosts. We have observed that the livers of B cell-deficient mice were more effectively transduced by a helper-dependent adenovirus serotype-5 (HDA) vector than those of WT mice. This effect was T-cell independent as shown in athymic mice. Passive transfer of the serum from adenovirus-naïve WT to Rag1KO mice resulted in a reduction in gene transfer that was traced to IgM purified from serum of adenovirus-naïve mice. To ascribe the gene transfer inhibition activity to either adenoviral antigen-specific or antigen-unspecific functions of IgM, we used a monoclonal IgM antibody of unrelated specificity. Both the polyclonal and the irrelevant monoclonal IgM inhibited gene transfer by the HDA vector to either cultured hepatocellular carcinoma cells or to the liver of mice in vivo. Adsorption of polyclonal or monoclonal IgMs to viral capsids was revealed by ELISAs on adenovirus-coated plates. These observations indicate the existence of an inborn IgM mechanism deployed against a prevalent virus to reduce early post-infection viremia. In conclusion, innate IgM binding to adenovirus serotype-5 capsids restrains gene-transfer and offers a mechanism to be targeted for optimization of vector dosage in gene therapy with HDA vectors. PMID:24465560
Innate functions of immunoglobulin M lessen liver gene transfer with helper-dependent adenovirus.
Unzu, Carmen; Melero, Ignacio; Morales-Kastresana, Aizea; Sampedro, Ana; Serrano-Mendioroz, Irantzu; Azpilikueta, Arantza; Ochoa, María Carmen; Dubrot, Juan; Martínez-Ansó, Eduardo; Fontanellas, Antonio
2014-01-01
The immune system poses obstacles to viral vectors, even in the first administration to preimmunized hosts. We have observed that the livers of B cell-deficient mice were more effectively transduced by a helper-dependent adenovirus serotype-5 (HDA) vector than those of WT mice. This effect was T-cell independent as shown in athymic mice. Passive transfer of the serum from adenovirus-naïve WT to Rag1KO mice resulted in a reduction in gene transfer that was traced to IgM purified from serum of adenovirus-naïve mice. To ascribe the gene transfer inhibition activity to either adenoviral antigen-specific or antigen-unspecific functions of IgM, we used a monoclonal IgM antibody of unrelated specificity. Both the polyclonal and the irrelevant monoclonal IgM inhibited gene transfer by the HDA vector to either cultured hepatocellular carcinoma cells or to the liver of mice in vivo. Adsorption of polyclonal or monoclonal IgMs to viral capsids was revealed by ELISAs on adenovirus-coated plates. These observations indicate the existence of an inborn IgM mechanism deployed against a prevalent virus to reduce early post-infection viremia. In conclusion, innate IgM binding to adenovirus serotype-5 capsids restrains gene-transfer and offers a mechanism to be targeted for optimization of vector dosage in gene therapy with HDA vectors.
Li, Liqi; Cui, Xiang; 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.
The function-transferring model construction for X-ray digital radiographic system
NASA Astrophysics Data System (ADS)
Xiao, Wang; Yan, Han; Guo, Wenming
2008-02-01
This paper is aimed at presenting a renovated model-building method of transfer function for industrial X-ray digital radiography based on the amorphous silicon X-ray flat-panel detector. The system, known as point-spreading function (PSF), is composed of three parts: the system geometrical dispersion with a non-spot power source, the scintillating screen dispersion and the aperture sampling of the pixel detector. For the innovation purpose, we have first of all established a mathematical simulation of the PSF and the modulation transfer function (MTF) on the basis of analyzing the intensity distribution of X-ray penetration area in each part and by taking Gaussian functions as a mathematical equation for depicting the transfer behavior of each part of the system. And, then, we have worked out the approximately effective bandwidth of the system from its half-wave width. And, finally, by taking the digital radiography based on the flat-panel detector for sampling, the paper has provided a theoretical foundation for the industrial X-ray radiographic testing and measurement operation. In addition, the author has also estimated the validation of the model through experiments and proved that the method helps to make high resolutions of the diacritical tiniest details in the work-pieces, which has shown and will show its technical rationality, technical appropriateness and practical working value.
Walsh, Meghan T; Di Leo, Enza; Okur, Ilyas; Tarugi, Patrizia; Hussain, M Mahmood
2016-11-01
We describe two new hypolipidemic patients with very low plasma triglyceride and apolipoprotein B (apoB) levels with plasma lipid profiles similar to abetalipoproteinemia (ABL) patients. In these patients, we identified two previously uncharacterized missense mutations in the microsomal triglyceride transfer protein (MTP) gene, R46G and D361Y, and studied their functional effects. We also characterized three missense mutations (H297Q, D384A, and G661A) reported earlier in a familial hypobetalipoproteinemia patient. R46G had no effect on MTP expression or function and supported apoB secretion. H297Q, D384A, and G661A mutants also supported apoB secretion similarly to WT MTP. Contrary to these four missense mutations, D361Y was unable to support apoB secretion. Functional analysis revealed that this mutant was unable to bind protein disulfide isomerase (PDI) or transfer lipids. The negative charge at residue 361 was critical for MTP function as D361E was able to support apoB secretion and transfer lipids. D361Y most likely disrupts the tightly packed middle α-helical region of MTP, mitigates PDI binding, abolishes lipid transfer activity, and causes ABL. On the other hand, the hypolipidemia in the other two patients was not due to MTP dysfunction. Thus, in this study of five missense mutations spread throughout MTP's three structural domains found in three hypolipidemic patients, we found that four of the mutations did not affect MTP function. Thus, novel mutations that cause severe hypolipidemia probably exist in other genes in these patients, and their recognition may identify novel proteins involved in the synthesis and/or catabolism of plasma lipoproteins.
Luy, B; Glaser, S J
2001-01-01
The superposition of scalar and residual dipolar couplings gives rise to so-called cylindrical mixing Hamiltonians in dipolar coupling spectroscopy. General analytical polarization and coherence transfer functions are presented for three cylindrically coupled spins 12 under energy-matched conditions. In addition, the transfer efficiency is analyzed as a function of the relative coupling constants for characteristic special cases.
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).
Teale, Andrew M; Lutnæs, Ola B; Helgaker, Trygve; Tozer, David J; Gauss, Jürgen
2013-01-14
Accurate sets of benchmark nuclear-magnetic-resonance shielding constants and spin-rotation constants are calculated using coupled-cluster singles-doubles (CCSD) theory and coupled-cluster singles-doubles-perturbative-triples [CCSD(T)] theory, in a variety of basis sets consisting of (rotational) London atomic orbitals. The accuracy of the calculated coupled-cluster constants is established by a careful comparison with experimental data, taking into account zero-point vibrational corrections. Coupled-cluster basis-set convergence is analyzed and extrapolation techniques are employed to estimate basis-set-limit quantities, thereby establishing an accurate benchmark data set. Together with the set provided for rotational g-tensors and magnetizabilities in our previous work [O. B. Lutnæs, A. M. Teale, T. Helgaker, D. J. Tozer, K. Ruud, and J. Gauss, J. Chem. Phys. 131, 144104 (2009)], it provides a substantial source of consistently calculated high-accuracy data on second-order magnetic response properties. The utility of this benchmark data set is demonstrated by examining a wide variety of Kohn-Sham exchange-correlation functionals for the calculation of these properties. None of the existing approximate functionals provide an accuracy competitive with that provided by CCSD or CCSD(T) theory. The need for a careful consideration of vibrational effects is clearly illustrated. Finally, the pure coupled-cluster results are compared with the results of Kohn-Sham calculations constrained to give the same electronic density. Routes to future improvements are discussed in light of this comparison.
NASA Technical Reports Server (NTRS)
Taylor, Lawrence W., Jr.; Day, Richard E.
1961-01-01
A simulator study and flight tests were performed to determine the levels of static stability and damping necessary to enable a pilot to control the longitudinal and lateral-directional dynamics of a vehicle for short periods of time. Although a basic set of aerodynamic characteristics was used, the study was conducted so that the results would be applicable to a wide range of flight conditions and configurations. Novel piloting techniques were found which enabled the pilot to control the vehicle at conditions that were otherwise uncontrollable. The influence of several critical factors in altering the controllability limits was also investigated. Several human transfer functions were used which gave fairly good representations of the controllability limits determined experimentally for the short-period longitudinal, directional, and lateral modes. A transfer function with approximately the same gain and phase angle as the pilot at the controlling frequencies along the controllability limits was also derived.
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.
Gregersen, Niels; Tromborg, Bjarne; Bozhevolnyi, Sergey I
2006-12-01
Using exact 3D vectorial simulations of radiation coupling into uncoated dielectric fiber probes, we calculate amplitude transfer functions for conical single-mode fiber tips at the light wavelength of 633 nm. The coupling efficiency of glass fiber tips is determined in a wide range of spatial frequencies of the incident radiation for opening angles varying from 30 degrees to 120 degrees . The resolution in near-field imaging with these tips is considered for field distributions limited in both direct and spatial-frequency space. The characteristics of the transfer functions describing the relation between probed optical fields and near-field images are analyzed in detail. The importance of utilizing a perfectly sharp tip is also examined.
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 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.
NASA Astrophysics Data System (ADS)
Xiang, Shang; Jiang, Weikang; Pan, Siwei
2015-12-01
A modified inverse patch transfer function (iPTF) method is used to reconstruct the normal velocities of the target source in a noisy environment. The iPTF method simplifies the Helmholtz integral equation to one term by constructing a Green's function satisfying Neumann boundary conditions for an enclosure, which is generally constructed by slowly convergent modal expansions. The main objective of the present work is to provide an evanescent Green's function to improve the convergence of calculations. A brief description of the iPTF method and two sets of Green's functions for a rectangular cavity are presented firstly. In simulations, both the Green's functions are used to calculate the condition numbers of impedance matrices describing the relation between source and measurement patches, and the time cost of calculation based on the two sets of Green's functions at 450 Hz is compared. Double pressure measurements are then employed as the input data instead of pressure and velocity measurements. The normal velocities of two baffled loudspeakers are reconstructed by the combination of a measurement method and a Green's function in the presence of a disturbing source in the frequency range of 50-1000 Hz. In addition, the double pressure measurements are examined by an experiment. The precise identification of the sources indicates that the double pressure measurements are capable of localizing sources in a noisy environment. It is also found that the reconstruction with the evanescent Green's functions is slightly better than that with the modal expansions.
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.
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
Coherent Transfer Function Of A Hololens/Parabolic Optical Fiber System
NASA Astrophysics Data System (ADS)
Guibelalde, E.; Calvo, M. L.
1987-06-01
A new integral equation is presented and solved by a matrix method based on iterative procedures to obtain information about the transmission and reflection of light (scalar field) in inhomogeneous media. The method, which may be applied to a wide category of arbitrary x,y,z-varying refractive index profiles, is used to study the holographic lens/ SELFOC optical fiber coupling system. The properties of the spatial transfer function for invariant linear systems are used.
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.
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
Stability Analysis of Absorption Chiller-Heaters by Applying Transfer Function
NASA Astrophysics Data System (ADS)
Fujii, Tatsuo; Miyake, Satoshi; Oka, Masahiro; Mori, Kiyoyuki
A transfer function approach is found to be a practical method for ensuring stable operation of absorption chiller-heaters. The transfer function model is based on a solution-circuit of the machine, which dominates the stability of the operation. This model includes a solution pump, a generator with an overflow weir, and a float valve. We found that the solution-circuit system is designed with the cascade control, which makes the system stable. In this construction, the float valve actuates a primary control loop, and the overflow weir actuates a secondary loop. The effects of the characteristic of the solution pump and the overflow weir are estimated by the degree of the stabilities, which are the gain margin and the phase margin. We found that the characteristic of the solution pump strongly effects the stability by enhancing the effect of the cascade control and improving the stability. So it is essential for a better stability analysis model. According to these results, the established model is useful for quantitatively predicting the stabilities of a chiller-heater in operation, and simultaneously reducing its size and improving the stability of operation. We conclude that the methodology based on transfer function can provide compact and reliable absorption chiller-heaters.
Cross spectral measurement of head related speech transfer functions using speaker's own voice
NASA Astrophysics Data System (ADS)
Nukina, Masumi; Kawahara, Hideki
2002-11-01
A cross spectrum method is applied to measure sound pressure variations around the head using the speaker's own speech sounds. The variations are represented as transfer functions from the mouth reference point to a set of measuring points. Preliminary tests indicated that there are systematic frequency response variations depending on vowel colors. This vowel color dependency was not replicated in the classical measurement of speech radiation characteristics by J. L. Flanagan. However, taking into account the large (sometimes exceeding 20 dB) amount of variations, it is not likely to be negligible. A set of calibration and normalization procedures were introduced to reduce artifacts due to background noise, room acoustics, zeros in the speech spectra. A series of M-sequence based transfer function measurements were also conducted using a head and torso simulator to evaluate intrinsic errors in the cross spectral measurements. It was found that the standard errors in the cross spectral measurements using recorded speech sounds are around 1 dB. Based on these reference data and confidence interval calculations based on coherence, it is safe to conclude that the vowel color dependency is significantly modifying the transfer functions. [Work supported by JSPS.
Hagège, J; Pernodet, J L; Sezonov, G; Gerbaud, C; Friedmann, A; Guérineau, M
1993-09-01
pSAM2 is an 11-kb integrating element from Streptomyces ambofaciens. During matings, pSAM2 can be transferred at high frequency, forming pocks, which are zones of growth inhibition of the recipient strain. The nucleotide sequences of the regions involved in pSAM2 transfer, pock formation, and maintenance have been determined. Seven putative open reading frames with the codon usage typical of Streptomyces genes have been identified: traSA (306 amino acids [aa]), orf84 (84 aa), spdA (224 aa), spdB (58 aa), spdC (51 aa), spdD (104 aa), and korSA (259 aa). traSA is essential for pSAM2 intermycelial transfer and pock formation. It could encode a protein with similarities to the major transfer protein, Tra, of pIJ101. TraSA protein contains a possible nucleotide-binding sequence and a transmembrane segment. spdA, spdB, spdC, and spdD influence pock size and transfer efficiency and may be required for intramycelial transfer. A kil-kor system similar to that of pIJ101 is associated with pSAM2 transfer: the korSA (kil-override) gene product could control the expression of the traSA gene, which has lethal effects when unregulated (Kil phenotype). The KorSA protein resembles KorA of pIJ101 and repressor proteins belonging to the GntR family. Thus, the integrating element pSAM2 possesses for transfer general features of nonintegrating Streptomyces plasmids: different genes are involved in the different steps of the intermycelial and intramycelial transfer, and a kil-kor system is associated with transfer. However, some differences in the functional properties, organization, and sizes of the transfer genes compared with those of other Streptomyces plasmids have been found.
Transference and countertransference to medication and its implications for ego function.
Marcus, Eric R
2007-01-01
Transference to medication can provide important information about specific ego dysfunction in sicker patients who often need medication. Whether positive or negative or both in content, the organization of the experience provides one example of the illness' effect on the patients' ego and can therefore be a specific diagnostic assessment strategy. Early resistances to medication may reveal the nature of resistances to the therapeutic alliance and to higher-level ego function. Understanding this can guide verbal and pharmacological interventions to strengthen ego function. Countertransference can similarly be helpful because it, too, can be a highly specific diagnostic indicator.
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.
NASA Astrophysics Data System (ADS)
Varela, Alberto J.; Calvo, Maria L.
1995-04-01
We present a comparative study between two experimental methods to determine the modulation transfer function (MTF) of a hololens system. The two hololenses were previously recorded and tested for filtering pseudocolor. In the first method we used the classical Foucault test. The second, alternative method is based on the digital image processing of a perfect edge under incoherent illumination. From the digitized intensity line profiles we obtain the MTF and cutoff frequency of the optical system according to the reciprocity between line spread function and MTF. Comments are made on the applicability and accuracy of these two methods.
On the evaluation of information flow in multivariate systems by the directed transfer function.
Eichler, Michael
2006-06-01
The directed transfer function (DTF) has been proposed as a measure of information flow between the components of multivariate time series. In this paper, we discuss the interpretation of the DTF and compare it with other measures for directed relationships. In particular, we show that the DTF does not indicate multivariate or bivariate Granger causality, but that it is closely related to the concept of impulse response function and can be viewed as a spectral measure for the total causal influence from one component to another. Furthermore, we investigate the statistical properties of the DTF and establish a simple significance level for testing for the null hypothesis of no information flow.
Gugliuzza, Annarosa; Pingitore, Valentino; Miriello, Domenico; Drioli, Enrico
2015-05-21
Functional single walled carbon nanotubes (SWCNTs) are assembled onto porous supports by using layer-by-layer (LBL) approaches. Directed nano-assembly of nanotubes is identified as a crucial factor for controlling the combined functions of hybrid-composite membranes, including charge and moisture transport. In both the cases, donor-acceptor interactions are indicated to be responsible for the rearrangement of nanotubes inside the LBL multilayer and their related properties. Aggregation and stratification of the carbon nanotubes along with the availability of selective-site interactions are complementarily investigated by using SEM, Raman and infrared spectroscopy, while high electrical charge and water vapor transfer are achievable, provided that a large number of connections and competitive interactions are allowed. Ohmic behavior is observed for all types of carbon nanotubes, even if better-quality charge transfer pathways are obtained with carboxylated conductive filaments. Likewise, assisted moisture regulation is succeeded when using functional filaments with the capability to establish competitive H-donor-acceptor interactions with water.
NASA Astrophysics Data System (ADS)
Audenaert, Jan; Leloup, Frédéric B.; Van Giel, Bart; Durinck, Guy; Deconinck, Geert; Hanselaer, Peter
2013-09-01
The reliability of ray tracing simulations is strongly dependent on the accuracy of the input data such as the bidirectional reflectance distribution function (BRDF). Software developers offer the possibility to implement BRDF data in different ways, ranging from simple predefined functions to detailed tabulated data. The impact of the accuracy of the implemented reflectance model on ray tracing simulations has been investigated. A light-emitting diode device including a frequently employed diffuse reflector [microcellular polyethylene terephthalate (MCPET)] was constructed. The luminous intensity distribution (LID) and luminance distribution from a specific viewpoint were measured with a near-field goniophotometer. Both distributions were also simulated by use of ray tracing software. Three different reflection models of MCPET were introduced, varying in complexity: a diffuse model, a diffuse/specular model, and a model containing tabulated BRDF data. A good agreement between the measured and simulated LID was found irrespective of the applied model. However, the luminance distributions only corresponded when the most accurate BRDF model was applied. This proves that even for diffuse reflective materials, a simple BRDF model may only be employed for simulations of the LID; for evaluation of luminance distributions, more complex models are needed.
Zapata-Rodríguez, Carlos J; Pastor, David; Miret, Juan J
2010-10-20
We derive a nonsingular, polarization-dependent, 3D impulse response that provides unambiguously the wave field scattered by a negative-refractive-index layered lens and distributed in its image volume. By means of a 3D Fourier transform, we introduce the generalized amplitude transfer function in order to gain a deep insight into the resolution power of the optical element. In the near-field regime, fine details containing some depth information may be transmitted through the lens. We show that metamaterials with moderate absorption are appropriate for subwavelength resolution keeping a limited degree of depth discrimination.
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
Performance of the dot product function in radiative transfer code SORD
NASA Astrophysics Data System (ADS)
Korkin, Sergey; Lyapustin, Alexei; Sinyuk, Aliaksandr; Holben, Brent
2016-10-01
The successive orders of scattering radiative transfer (RT) codes frequently call the scalar (dot) product function. In this paper, we study performance of some implementations of the dot product in the RT code SORD using 50 scenarios for light scattering in the atmosphere-surface system. In the dot product function, we use the unrolled loops technique with different unrolling factor. We also considered the intrinsic Fortran functions. We show results for two machines: ifort compiler under Windows, and pgf90 under Linux. Intrinsic DOT_PRODUCT function showed best performance for the ifort. For the pgf90, the dot product implemented with unrolling factor 4 was the fastest. The RT code SORD together with the interface that runs all the mentioned tests are publicly available from ftp://maiac.gsfc.nasa.gov/pub/skorkin/SORD_IP_16B (current release) or by email request from the corresponding (first) author.
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
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.
Measurement of modulation transfer function for space remote sensing TDDICCD camera
NASA Astrophysics Data System (ADS)
Lv, Shiliang; Wang, Xiaoqian; Liu, Jinguo
2016-11-01
Modulation Transfer Function(MTF) is an important imaging quality indicator of optical system, in order to evaluate the imaging quality for a space remote sensing TDICCD camera, the MTF testing system including hardware components and software components, was established based on refocusing system. Firstly, the design of Three Mirror Anastigmatic (TMA) optical system and the long interlace assemble TDICCD focal plane were introduced. Secondly, the construction and the schematic diagram of the refocusing system was presented in detail, as well as the relationship between refocusing range and position encoder for interlace assemble TDICCD focal plane. Thirdly, the schematic diagram of the MTF testing system was given, and the relationship between MTF and contrast transfer function(CTF) was discussed. Finally, on the basis of the schematic diagram of CTF, the transfer process of a square wave target was investigated. The testing results indicate that the MTF testing system can measure the CTF of every TDICCD on the focal plane in the focusing range, which meet the requirement of evaluation of imaging quality for a space TDICCD camera.
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.
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.
Baba, N; Terayama, K; Yoshimizu, T; Ichise, N; Tanaka, N
2001-01-01
An auto-tuning method for high-angle annular detector dark field scanning transmission electron microscopy (HAADF-STEM) is proposed which corrects the defocus to the optimum Scherzer focus and compensates the astigmatism. Because the method is based on the image contrast transfer function formulated for the HAADF-STEM, the defocus and the astigmatism are accurately measured from input of two different defocus images. The method is designed to work independent of object function in the linear imaging model by analysing the spectral ratio between two Fourier spectra of their images, which is useful for cases where the spectrum of object function is not uniformly spread out over the reciprocal space. The method was preliminarily tested in a Hitachi HD-2000 STEM, and successful results of the auto-tunings from the viewpoint of verification of the algorithm were obtained using general specimens of Au fine particles and a thin section of a semiconductor device.
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
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
Plessen, Kerstin J.; Lundervold, Arvid; Grüner, Renate; Hammar, Åsa; Lundervold, Astri; Peterson, Bradley S.; Hugdahl, Kenneth
2008-01-01
We tested the hypothesis that children with Tourette syndrome (TS) would exhibit aberrant brain lateralization compared to a healthy control (HC) group in an attention-modulation version of a verbal dichotic listening task using consonant-vowel syllables. The modulation of attention to focus on the right ear stimulus in the dichotic listening situation is thought to involve the same prefrontal attentional and executive functions that are involved in the suppression of tics, whereas, performance when focusing attention on the left ear stimulus additionally involves a callosal transfer of information. In light of presumed disturbances in transfer of information across the corpus callosum, we hypothesized that children with TS would, however, have difficulty modulating the functional lateralization that ensues through a shift of attention to the left side. This hypothesis was tested by exploring the correlations between CC size and left ear score in the forced-left condition. Twenty boys with TS were compared with 20 age- and handedness-matched healthy boys. Results indicated similar performance in the TS and HC groups for lateralization of hemispheric function. TS subjects were also able to shift attention normally when instructed to focus on the right ear stimulus. When instructed to focus attention on the left ear stimulus, however, performance deteriorated in the TS group. Correlations with CC area further supported the hypothesized presence of deviant callosal functioning in the TS group. PMID:17045315
Wolfe, C.R.; Downie, J.D.; Lawson, J.K.
1996-06-27
The power spectral density (PSD) function is being employed to specify the surface finish and transmitted wavefront in the mid- spatial frequency regime for laser beam optics of the National Ignition Facility (NIF). The instrument used to measure the PSD is a phase measuring Fizeau interferometer. The phase map produced by the interferometer is digitally processed to create the PSD. Before one can use the PSD information, it is necessary to evaluate the fidelity of the interferometer spatial frequency response. Specifically, one must measure the overall transfer function of the instrument. To accomplish this, we perform a two-step ``calibration`` process. We first measure a known precision phase object with the interferometer and then compare the measured PSD to an ideal numerical simulation which represents the theoretical PSD. The square root of the ratio of the measured function to the simulation is defined as the transfer function of the instrument. We present experimental results for both reflective and transmissive test objects, including effects such as the test object orientation and longitudinal location in the interferometer cavity. We also evaluate the accuracy levels obtained using different test objects. 11 refs., 5 figs.
Hagege, Juliette M.; Brasch, Michael A.; Cohen, Stanley N.
1999-01-01
SLP1int is a 17.2-kb genetic element that normally is integrated site specifically into the chromosome of Streptomyces coelicolor A3(2). The imp operon within SLP1int represses replication of both chromosomally integrated and extrachromosomal SLP1. During mating with S. lividans, SLP1int can excise, delete part of imp, and form a family of autonomously replicating conjugative plasmids. Earlier work has shown that impA and impC gene products act in concert to control plasmid maintenance and regulate their own transcription. Here we report that these imp genes act also on a second promoter, Popimp (promoter opposite imp), located adjacent to, and initiating transcription divergent from, imp to regulate loci involved in the intramycelial transfer of SLP1 plasmids. spdB1 and spdB2, two overlapping genes immediately 3′ to Popimp and directly regulated by imp, are shown by Tn5 mutagenesis to control transfer-associated growth inhibition (i.e., pocking). Additional genes resembling transfer genes of other Streptomyces spp. plasmids and required for SLP1 transfer and/or postconjugal intramycelial spread are located more distally to Popimp. Expression of impA and impC in an otherwise competent recipient strain prevented SLP1-mediated gene transfer of chromosomal and plasmid genes but not plasmid-independent chromosome-mobilizing activity, suggesting that information transduced to recipients after the formation of mating pairs affects imp activity. Taken together with earlier evidence that the imp operon regulates SLP1 DNA replication, the results reported here implicate imp in the overall regulation of functions related to the extrachromosomal state of SLP1. PMID:10498709
Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach
NASA Astrophysics Data System (ADS)
Gil, G.; Corni, S.; Delgado, A.; Bertoni, A.; Goldoni, G.
2016-02-01
We develop a novel approach to treat excitation energy transfer in hybrid nanosystems composed by an organic molecule attached to a semiconductor nanoparticle. Our approach extends the customary Förster theory by considering interaction between transition multipole moments of the nanoparticle at all orders and a point-like transition dipole moment representing the molecule. Optical excitations of the nanoparticle are described through an envelope-function configuration interaction method for a single electron-hole pair. We applied the method to the prototypical case of a core/shell CdSe/ZnS semiconductor quantum dot which shows a complete suppression of the energy transfer for specific transitions which could not be captured by Förster theory.
Charge Transfer Efficiency modeling/measurements as function of CCD pixel rate
Yates, G.J.; Gallegos, R.; Pena, C.; Zagarino, P.
1995-09-01
We have developed a charge transport model for predicting the effects on Charge Transfer Efficiency (CTE) of Charge Coupled Devices (CCDs) as functions of number of transfers, pixel charge flow rate, and magnitude in the CCD`s vertical and horizontal charge transport mediums. The model uses carrier lifetime an mobility criteria to establish pixel speed arguments and limitations for various CCD architectures. The model is compared with experimental measurements obtained using strobed single pixel illumination and a variant of the deferred charge tail technique while independently varying the CCD pixel rates for both the vertical and horizontal readout phases. The generic model is discussed and applied to specific real CCDs. Agreement between predicted performance and actual measured performance is presented.
Improvements in hip flexibility do not transfer to mobility in functional movement patterns.
Moreside, Janice M; McGill, Stuart M
2013-10-01
The purpose of this study was to analyze the transference of increased passive hip range of motion (ROM) and core endurance to functional movement. Twenty-four healthy young men with limited hip mobility were randomly assigned to 4 intervention groups: group 1, stretching; group 2, stretching plus hip/spine disassociation exercises; group 3, core endurance; and group 4, control. Previous work has documented the large increase in passive ROM and core endurance that was attained over the 6-week interventions, but whether these changes transferred to functional activities was unclear. Four dynamic activities were analyzed before and after the 6-week interventions: active standing hip extension, lunge, a standing twist/reach maneuver, and exercising on an elliptical trainer. A Vicon motion capture system collected body segment kinematics, with hip and lumbar spine angles subsequently calculated in Visual 3D. Repeated measures analyses of variance determined group effects on various hip and spine angles, with paired t-tests on specific pre/post pairs. Despite the large increases in passive hip ROM, there was no evidence of increased hip ROM used during functional movement testing. Similarly, the only significant change in lumbar motion was a reduction in lumbar rotation during the active hip extension maneuver (p < 0.05). These results indicate that changes in passive ROM or core endurance do not automatically transfer to changes in functional movement patterns. This implies that training and rehabilitation programs may benefit from an additional focus on 'grooving' new motor patterns if newfound movement range is to be 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
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.
Grimm, K.N.; Meneghetti, D. )
1989-11-01
Reactivity transfer functions are important in determining the reactivity history during a power transient. Overall nodal transfer functions have been calculated for different subassembly types in the Experimental Breeder Reactor II (EBR-II). Steady-state calculations for temperature changes and, hence, reactivities for power changes have been separated into power and power-to-flow-dependent terms. Axial nodal transfer functions separated into power and power-to-flow-dependent components are reported in this paper for a typical EBR-II fuel pin. This provides an improved understanding of the time dependence of these components in transient situations.
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.
Ziegelwanger, Harald; Majdak, Piotr; Kreuzer, Wolfgang
2015-07-01
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.
Eldeeb, Safaa M; Abdelmoula, Walid M; Shah, Syed M; Fahmy, Ahmed S
2012-01-01
Age-related macular degeneration (AMD) is a major cause of blindness and visual impairment in older adults. The wet form of the disease is characterized by abnormal blood vessels forming a choroidal neovascular membrane (CNV), that result in destruction of normal architecture of the retina. Current evaluation and follow up of wet AMD include subjective evaluation of Fluorescein Angiograms (FA) to determine the activity of the lesion and monitor the progression or regression of the disease. However, this subjective evaluation prevents accurate monitoring of the disease progression or regression in response to a pharmacologic agent. In this work, we present a method that allows objective assessment of the activity of a CNV lesion which can be statistically compared across different patient and time points. The method is based on a hypothesis that the discrepancy in the time-intensity signals among the diseased and normal retinal areas are due to an implicit transfer function whose parameters can be used to characterize the retina. The method begins with parametric modeling of the temporal variation of the lesion and background intensities. Then, the values of the model parameters are used to evaluate the change in the activity of the disease. Preliminary results on five datasets show that the calculated parameters are highly correlated with the Visual Acuity (VA) of the patients.
NASA Astrophysics Data System (ADS)
Gloor, Guy J.; Jackson, George; Blas, Felipe J.; del Río, Elvira Martín; de Miguel, Enrique
2004-12-01
A Helmholtz free energy density functional is developed to describe the vapor-liquid interface of associating chain molecules. The functional is based on the statistical associating fluid theory with attractive potentials of variable range (SAFT-VR) for the homogenous fluid [A. Gil-Villegas, A. Galindo, P. J. Whitehead, S. J. Mills, G. Jackson, and A. N. Burgess, J. Chem. Phys. 106, 4168 (1997)]. A standard perturbative density functional theory (DFT) is constructed by partitioning the free energy density into a reference term (which incorporates all of the short-range interactions, and is treated locally) and an attractive perturbation (which incorporates the long-range dispersion interactions). In our previous work [F. J. Blas, E. Martı´n del Rı´o, E. de Miguel, and G. Jackson, Mol. Phys. 99, 1851 (2001); G. J. Gloor, F. J. Blas, E. Martı´n del Rı´o, E. de Miguel, and G. Jackson, Fluid Phase Equil. 194, 521 (2002)] we used a mean-field version of the theory (SAFT-HS) in which the pair correlations were neglected in the attractive term. This provides only a qualitative description of the vapor-liquid interface, due to the inadequate mean-field treatment of the vapor-liquid equilibria. Two different approaches are used to include the correlations in the attractive term: in the first, the free energy of the homogeneous fluid is partitioned such that the effect of correlations are incorporated in the local reference term; in the second, a density averaged correlation function is incorporated into the perturbative term in a similar way to that proposed by Toxvaerd [S. Toxvaerd, J. Chem. Phys. 64, 2863 (1976)]. The latter is found to provide the most accurate description of the vapor-liquid surface tension on comparison with new simulation data for a square-well fluid of variable range. The SAFT-VR DFT is used to examine the effect of molecular chain length and association on the surface tension. Different association schemes (dimerization, straight and
Multi-Instance Metric Transfer Learning for Genome-Wide Protein Function Prediction.
Xu, Yonghui; Min, Huaqing; Wu, Qingyao; Song, Hengjie; Ye, Bicui
2017-02-06
Multi-Instance (MI) learning has been proven to be effective for the genome-wide protein function prediction problems where each training example is associated with multiple instances. Many studies in this literature attempted to find an appropriate Multi-Instance Learning (MIL) method for genome-wide protein function prediction under a usual assumption, the underlying distribution from testing data (target domain, i.e., TD) is the same as that from training data (source domain, i.e., SD). However, this assumption may be violated in real practice. To tackle this problem, in this paper, we propose a Multi-Instance Metric Transfer Learning (MIMTL) approach for genome-wide protein function prediction. In MIMTL, we first transfer the source domain distribution to the target domain distribution by utilizing the bag weights. Then, we construct a distance metric learning method with the reweighted bags. At last, we develop an alternative optimization scheme for MIMTL. Comprehensive experimental evidence on seven real-world organisms verifies the effectiveness and efficiency of the proposed MIMTL approach over several state-of-the-art methods.
NASA Astrophysics Data System (ADS)
Bordes, C.; Sénéchal, P.; Barrière, J.; Brito, D.; Normandin, E.; Jougnot, D.
2015-03-01
Seismic waves propagating in a porous medium, under favourable conditions, generate measurable electromagnetic fields due to electrokinetic effects. It has been proposed, following experimental and numerical studies, that these so-called `seismoelectromagnetic' couplings depend on pore fluid properties. The theoretical frame describing these phenomena are based on the original Biot's theory, assuming that pores are fluid-filled. We study here the impact of a partially saturated medium on amplitudes of those seismoelectric couplings by comparing experimental data to an effective fluid model. We have built a 1-m-length-scale experiment designed for imbibition and drainage of an homogeneous silica sand; the experimental set-up includes a seismic source, accelerometers, electric dipoles and capacitance probes in order to monitor seismic and seismoelectric fields during water saturation. Apparent velocities and frequency spectra (in the kiloHertz range) are derived from seismic and electrical measurements during experiments in varying saturation conditions. Amplitudes of seismic and seismoelectric waves and their ratios (i.e. transfer functions) are discussed using a spectral analysis performed by continuous wavelet transform. The experiments reveal that amplitude ratios of seismic to coseismic electric signals remain rather constant as a function of the water saturation in the Sw = [0.2-0.9] range, consistently with theoretically predicted transfer functions.
Multi-Instance Metric Transfer Learning for Genome-Wide Protein Function Prediction
Xu, Yonghui; Min, Huaqing; Wu, Qingyao; Song, Hengjie; Ye, Bicui
2017-01-01
Multi-Instance (MI) learning has been proven to be effective for the genome-wide protein function prediction problems where each training example is associated with multiple instances. Many studies in this literature attempted to find an appropriate Multi-Instance Learning (MIL) method for genome-wide protein function prediction under a usual assumption, the underlying distribution from testing data (target domain, i.e., TD) is the same as that from training data (source domain, i.e., SD). However, this assumption may be violated in real practice. To tackle this problem, in this paper, we propose a Multi-Instance Metric Transfer Learning (MIMTL) approach for genome-wide protein function prediction. In MIMTL, we first transfer the source domain distribution to the target domain distribution by utilizing the bag weights. Then, we construct a distance metric learning method with the reweighted bags. At last, we develop an alternative optimization scheme for MIMTL. Comprehensive experimental evidence on seven real-world organisms verifies the effectiveness and efficiency of the proposed MIMTL approach over several state-of-the-art methods. PMID:28165495
Cumulant generating function formula of heat transfer in ballistic systems with lead-lead coupling
NASA Astrophysics Data System (ADS)
Li, Huanan; Agarwalla, Bijay Kumar; Wang, Jian-Sheng
2012-10-01
Based on a two-time observation protocol, we consider heat transfer in a given time interval tM in a lead-junction-lead system taking coupling between the leads into account. In view of the two-time observation, consistency conditions are carefully verified in our specific family of quantum histories. Furthermore, its implication is briefly explored. Then using the nonequilibrium Green's function method, we obtain an exact formula for the cumulant generating function for heat transfer between the two leads, valid in both transient and steady-state regimes. Also, a compact formula for the cumulant generating function in the long-time limit is derived, for which the Gallavotti-Cohen fluctuation symmetry is explicitly verified. In addition, we briefly discuss Di Ventra's repartitioning trick regarding whether the repartitioning procedure of the total Hamiltonian affects the nonequilibrium steady-state current fluctuation. All kinds of properties of nonequilibrium current fluctuations, such as the fluctuation theorem in different time regimes, could be readily given according to these exact formulas.
Resist-based measurement of contrast transfer function in a 0.3-NAmicrofield optic
Cain, Jason P.; Naulleau, Patrick; Spanos, Costas J.
2005-01-11
Although extreme ultraviolet (EUV) lithography offers the possibility of very high-resolution patterning, the projection optics must be of extremely high quality in order to meet this potential. One key metric of the projection optic quality is the contrast transfer function (CTF), which is a measure of the aerial image contrast as a function of pitch. A static microfield exposure tool based on the 0.3-NA MET optic and operating at a wavelength of 13.5 nm has been installed at the Advanced Light Source, a synchrotron facility at the Lawrence Berkeley National Laboratory. This tool provides a platform for a wide variety of research into EUV lithography. In this work we present resist-based measurements of the contrast transfer function for the MET optic. These measurements are based upon line/space patterns printed in several different EUV photoresists. The experimental results are compared with the CTF in aerial-image simulations using the aberrations measured in the projection optic using interferometry. In addition, the CTF measurements are conducted for both bright-field and dark-field mask patterns. Finally, the orientation dependence of the CTF is measured in order to evaluate the effect of non-rotationally symmetric lens aberrations. These measurements provide valuable information in interpreting the results of other experiments performed using the MET and similar systems.
NASA Astrophysics Data System (ADS)
Amesbury, Matthew J.; Swindles, Graeme T.; Bobrov, Anatoly; Charman, Dan J.; Holden, Joseph; Lamentowicz, Mariusz; Mallon, Gunnar; Mazei, Yuri; Mitchell, Edward A. D.; Payne, Richard J.; Roland, Thomas P.; Turner, T. Edward; Warner, Barry G.
2016-11-01
In the decade since the first pan-European testate amoeba-based transfer function for peatland palaeohydrological reconstruction was published, a vast amount of additional data collection has been undertaken by the research community. Here, we expand the pan-European dataset from 128 to 1799 samples, spanning 35° of latitude and 55° of longitude. After the development of a new taxonomic scheme to permit compilation of data from a wide range of contributors and the removal of samples with high pH values, we developed ecological transfer functions using a range of model types and a dataset of ∼1300 samples. We rigorously tested the efficacy of these models using both statistical validation and independent test sets with associated instrumental data. Model performance measured by statistical indicators was comparable to other published models. Comparison to test sets showed that taxonomic resolution did not impair model performance and that the new pan-European model can therefore be used as an effective tool for palaeohydrological reconstruction. Our results question the efficacy of relying on statistical validation of transfer functions alone and support a multi-faceted approach to the assessment of new models. We substantiated recent advice that model outputs should be standardised and presented as residual values in order to focus interpretation on secure directional shifts, avoiding potentially inaccurate conclusions relating to specific water-table depths. The extent and diversity of the dataset highlighted that, at the taxonomic resolution applied, a majority of taxa had broad geographic distributions, though some morphotypes appeared to have restricted ranges.
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.
Belge, Bénédicte; Coche, Emmanuel; Pasquet, Agnès; Vanoverschelde, Jean-Louis J; Gerber, Bernhard L
2006-07-01
Retrospective reconstruction of ECG-gated images at different parts of the cardiac cycle allows the assessment of cardiac function by multi-detector row CT (MDCT) at the time of non-invasive coronary imaging. We compared the accuracy of such measurements by MDCT to cine magnetic resonance (MR). Forty patients underwent the assessment of global and regional cardiac function by 16-slice MDCT and cine MR. Left ventricular (LV) end-diastolic and end-systolic volumes estimated by MDCT (134+/-51 and 67+/-56 ml) were similar to those by MR (137+/-57 and 70+/-60 ml, respectively; both P=NS) and strongly correlated (r=0.92 and r=0.95, respectively; both P<0.001). Consequently, LV ejection fractions by MDCT and MR were also similar (55+/-21 vs. 56+/-21%; P=NS) and highly correlated (r=0.95; P<0.001). Regional end-diastolic and end-systolic wall thicknesses by MDCT were highly correlated (r=0.84 and r=0.92, respectively; both P<0.001), but significantly lower than by MR (8.3+/-1.8 vs. 8.8+/-1.9 mm and 12.7+/-3.4 vs. 13.3+/-3.5 mm, respectively; both P<0.001). Values of regional wall thickening by MDCT and MR were similar (54+/-30 vs. 51+/-31%; P=NS) and also correlated well (r=0.91; P<0.001). Retrospectively gated MDCT can accurately estimate LV volumes, EF and regional LV wall thickening compared to cine MR.
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.
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
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.
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.
Realistic 3D coherent transfer function inverse filtering of complex fields
Cotte, Yann; Toy, Fatih M.; Arfire, Cristian; Kou, Shan Shan; Boss, Daniel; Bergoënd, Isabelle; Depeursinge, Christian
2011-01-01
We present a novel technique for three-dimensional (3D) image processing of complex fields. It consists in inverting the coherent image formation by filtering the complex spectrum with a realistic 3D coherent transfer function (CTF) of a high-NA digital holographic microscope. By combining scattering theory and signal processing, the method is demonstrated to yield the reconstruction of a scattering object field. Experimental reconstructions in phase and amplitude are presented under non-design imaging conditions. The suggested technique is best suited for an implementation in high-resolution diffraction tomography based on sample or illumination rotation. PMID:21833359
DC trains and Pc3s: Source effects in mid-latitude geomagnetic transfer functions
Egbert, G.D.; Eisel, M.; Boyde, O.S.; Morrison, H.F.
1999-10-01
Magnetotelluric (MT) data from two sites 150 and 300 km southeast of San Francisco, California (geomagnetic dipole latitude: 43 degrees, L approximately 1.9) show that the usual MT assumption of spatially uniform external magnetic fields is violated to a significant degree in the period range 10-30 s. Inter-station transfer functions exhibit large systematic:temporal variations which are consistent with a combination of two distinct sources: electromagnetic noise due to the San Francisco Bay Area Rapid Transit (BART) DC electric railway, and Pc3 geomagnetic pulsations. There is a suggestion in the data that some of the Pc activity may actually be excited by BART.
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
Realistic 3D coherent transfer function inverse filtering of complex fields.
Cotte, Yann; Toy, Fatih M; Arfire, Cristian; Kou, Shan Shan; Boss, Daniel; Bergoënd, Isabelle; Depeursinge, Christian
2011-08-01
We present a novel technique for three-dimensional (3D) image processing of complex fields. It consists in inverting the coherent image formation by filtering the complex spectrum with a realistic 3D coherent transfer function (CTF) of a high-NA digital holographic microscope. By combining scattering theory and signal processing, the method is demonstrated to yield the reconstruction of a scattering object field. Experimental reconstructions in phase and amplitude are presented under non-design imaging conditions. The suggested technique is best suited for an implementation in high-resolution diffraction tomography based on sample or illumination rotation.
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.
1982-02-01
V AA113 677 RAND CORP SANTA MONICA CA F/0 11/1A DA EMONSTRATION OF THE SUBJECTIVE TRANSFER FUNCTION APPROACH APPL--ETC(U) FES l2S C T VEIT, M CALLERO ...S .J ROSE F�-62-CvOO18 UNLSIIDRAN/N1831-A NLEmhmhhhm MURN AAsAMYT dC4 Clairic. T. Volt. Nouti Callero , -. HBarbara J. Rose February 1982 N...FORCE-WIDE MISSION AREA ANALYSIS Clairice T. Veit, Monti Callero . Barbara J. Rose February 1982 N- 1831-AF Prepared For The United States Air Force SANTA
Accurate Scientific Visualization in Research and Physics Teaching
NASA Astrophysics Data System (ADS)
Wendler, Tim
2011-10-01
Accurate visualization is key in the expression and comprehension of physical principles. Many 3D animation software packages come with built-in numerical methods for a variety of fundamental classical systems. Scripting languages give access to low-level computational functionality, thereby revealing a virtual physics laboratory for teaching and research. Specific examples will be presented: Galilean relativistic hair, energy conservation in complex systems, scattering from a central force, and energy transfer in bi-molecular reactions.
Conceptual density functional theory for electron transfer and transport in mesoscopic systems.
Bueno, Paulo R; Miranda, David A
2017-02-22
Molecular and supramolecular systems are essentially mesoscopic in character. The electron self-exchange, in the case of energy fluctuations, or electron transfer/transport, in the case of the presence of an externally driven electrochemical potential, between mesoscopic sites is energetically driven in such a manner where the electrochemical capacitance (C[small mu, Greek, macron]) is fundamental. Thus, the electron transfer/transport through channels connecting two distinct energetic (ΔE[small mu, Greek, macron]) and spatially separated mesoscopic sites is capacitively modulated. Remarkably, the relationship between the quantum conductance (G) and the standard electrochemical rate constant (kr), which is indispensable to understanding the physical and chemical characteristics governing electron exchange in molecular scale systems, was revealed to be related to C[small mu, Greek, macron], that is, C[small mu, Greek, macron] = G/kr. Accordingly, C[small mu, Greek, macron] is the proportional missing term that controls the electron transfer/transport in mesoscopic systems in a wide-range, and equally it can be understood from first principles density functional quantum mechanical approaches. Indeed the differences in energy between states is calculated (or experimentally accessed) throughout the electrochemical capacitance as ΔE[small mu, Greek, macron] = β/C[small mu, Greek, macron], and thus constitutes the driving force for G and/or kr, where β is only a proportional constant that includes the square of the unit electron charge times the square of the number of electron particles interchanged.
Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy.
Garczarek, Florian; Gerwert, Klaus
2006-01-05
Much progress has been made in our understanding of water molecule reactions on surfaces, proton solvation in gas-phase water clusters and proton transfer through liquids. Compared with our advanced understanding of these physico-chemical systems, much less is known about individual water molecules and their cooperative behaviour in heterogeneous proteins during enzymatic reactions. Here we use time-resolved Fourier transform infrared spectroscopy (trFTIR) and in situ H2(18)O/H2(16)O exchange FTIR to determine how the membrane protein bacteriorhodopsin uses the interplay among strongly hydrogen-bonded water molecules, a water molecule with a dangling hydroxyl group and a protonated water cluster to transfer protons. The precise arrangement of water molecules in the protein matrix results in a controlled Grotthuss proton transfer, in contrast to the random proton migration that occurs in liquid water. Our findings support the emerging paradigm that intraprotein water molecules are as essential for biological functions as amino acids.
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
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.
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.
An adapted modulation transfer function for x-ray backscatter radiography by selective detection
NASA Astrophysics Data System (ADS)
Sabri, Nissia; Dugan, Edward T.; Jacobs, Alan M.; Shedlock, Daniel
2007-09-01
The Modulation Transfer Function (MTF) is a quantitative function based on frequency resolution that characterizes imaging system performance. In this study, a new MTF methodology is investigated for application to Radiography by Selective Detection (RSD), an enhanced single-side x-ray Compton backscatter imaging (CBI) technique which detects selected scatter components. The RSD imaging modality is a unique type of real-time radiography that uses a set of fin and sleeve collimators to preferentially select different components of the x-ray backscattered field. Radiography by selective detection has performed successfully in different non-destructive evaluation (NDE) applications. A customized RSD imaging system was built at the University of Florida for inspection of the space shuttle external tank spray-on foam insulation (SOFI). The x-ray backscatter RSD imaging system has been successfully used for crack and corrosion detection in a variety of materials. The conventional transmission x-ray image quality characterization tools do not apply for RSD because of the different physical process involved. Thus, the main objective of this project is to provide an adapted tool for dynamic evaluation of RSD system image quality. For this purpose, an analytical model of the RSD imaging system response is developed and supported. Two approaches are taken for the MTF calculations: one using the Fourier Transform of a line spread function and the other one using a sine function pattern. Calibration and test targets are then designed according to this proposed model. A customized Matlab code using image contrast and digital curve recognition is developed to support the experimental data and provide the Modulation Transfer Functions for RSD.
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
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.
Non-uniform sampling knife-edge method for camera modulation transfer function measurement
NASA Astrophysics Data System (ADS)
Duan, Yaxuan; Xue, Xun; Chen, Yongquan; Tian, Liude; Zhao, Jianke; Gao, Limin
2016-11-01
Traditional slanted knife-edge method experiences large errors in the camera modulation transfer function (MTF) due to tilt angle error in the knife-edge resulting in non-uniform sampling of the edge spread function. In order to resolve this problem, a non -uniform sampling knife-edge method for camera MTF measurement is proposed. By applying a simple direct calculation of the Fourier transform of the derivative for the non-uniform sampling data, the camera super-sampled MTF results are obtained. Theoretical simulations for images with and without noise under different tilt angle errors are run using the proposed method. It is demonstrated that the MTF results are insensitive to tilt angle errors. To verify the accuracy of the proposed method, an experimental setup for camera MTF measurement is established. Measurement results show that the proposed method is superior to traditional methods, and improves the universality of the slanted knife-edge method for camera MTF measurement.
Modulation transfer function as a predictor of visual acuity using a night vision device
NASA Astrophysics Data System (ADS)
Fullenkamp, S. C.; Trissell, T. L.; Aleva, D. L.; Dixon, S.; Task, H. L.
2005-05-01
Night Vision Goggles (NVGs) are being used increasingly by the military and law enforcement agencies for night operations. One critical issue in assessing the utility of an NVG is its resolving power or capability to make fine detail distinguishable. The resolution of Night Vision Goggles is typically assessed by measuring the visual acuity of an operator looking through the goggles. These methods can be time consuming. Further, inconsistencies associated with visual observations and judgement add to the variance associated with these measurements. NVG Modulation Transfer Function (MTF) was explored as a possible means of characterizing NVG image quality independent of a human observer. MTF maps the potential contrast output of the NVGs as a function of spatial frequency. The results of this MTF measurement were compared with a commonly used method of visual acuity assessment.
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.
Fisher, Wayne W.; Greer, Brian D.; Fuhrman, Ashley M.; Querim, Angie C.
2016-01-01
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 from one setting to the next and from one therapist to the next. With two children, we conducted FCT in the context of mixed (baseline) and multiple (treatment) schedules introduced across settings or therapists using a multiple baseline design. Results indicated that when the multiple schedules were introduced, the functional communication response came under rapid discriminative control, and problem behavior remained at near-zero rates. We extended these findings with another individual by using a more traditional baseline in which problem behavior produced reinforcement. Results replicated those of the previous participants and showed rapid reductions in problem behavior when multiple schedules were implemented across settings. PMID:26384141
NASA Astrophysics Data System (ADS)
Rinas, D.; Jia, J.; Zeichner, A.; Frei, S.
2013-07-01
Today EMC emissions of automotive components are often measured in anechoic chambers by an antenna at fixed position according to CISPR 25 (ALSE-method). The antenna voltage often cannot sufficiently describe the behaviour of the measured electronic components and systems. Furthermore space requirements and costs are very high for the ALSE-method. Field- and cable-scan methods combined with near-field to far-field transformation techniques might be a good alternative. Residual reflections from the walls, the metallic floor, the measuring table, interaction of the antenna with the environment, and other factors affect the measurements. Thus, models which only regard the current distribution for near- and far field calculation cannot produce results equal to a chamber measurement. In this paper methods for computing transfer functions for the substitution of EMC antenna measurements with field- and cable scans in a specified calibration area are introduced. To consider influences of the environment, the environment is characterized in a first step and included with transfer functions in the calculation process for the equivalent ALSE-field.
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.
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
Carbonell-Ballestero, Max; Duran-Nebreda, Salva; Montañez, Raúl; Solé, Ricard; Macía, Javier; Rodríguez-Caso, Carlos
2014-12-16
Within the field of synthetic biology, a rational design of genetic parts should include a causal understanding of their input-output responses-the so-called transfer function-and how to tune them. However, a commonly adopted strategy is to fit data to Hill-shaped curves without considering the underlying molecular mechanisms. Here we provide a novel mathematical formalization that allows prediction of the global behavior of a synthetic device by considering the actual information from the involved biological parts. This is achieved by adopting an enzymology-like framework, where transfer functions are described in terms of their input affinity constant and maximal response. As a proof of concept, we characterize a set of Lux homoserine-lactone-inducible genetic devices with different levels of Lux receptor and signal molecule. Our model fits the experimental results and predicts the impact of the receptor's ribosome-binding site strength, as a tunable parameter that affects gene expression. The evolutionary implications are outlined.
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.
Thuringer, Dominique; Boucher, Jonathan; Jego, Gaetan; Pernet, Nicolas; Cronier, Laurent; Hammann, Arlette; Solary, Eric; Garrido, Carmen
2016-01-01
Extensive invasion and angiogenesis are hallmark features of malignant glioblastomas. Here, we co-cultured U87 human glioblastoma cells and human microvascular endothelial cells (HMEC) to demonstrate the exchange of microRNAs that initially involve the formation of gap junction communications between the two cell types. The functional inhibition of gap junctions by carbenoxolone blocks the transfer of the anti-tumor miR-145-5p from HMEC to U87, and the transfer of the pro-invasive miR-5096 from U87 to HMEC. These two microRNAs exert opposite effects on angiogenesis in vitro. MiR-5096 was observed to promote HMEC tubulogenesis, initially by increasing Cx43 expression and the formation of heterocellular gap junctions, and secondarily through a gap-junction independent pathway. Our results highlight the importance of microRNA exchanges between tumor and endothelial cells that in part involves the formation of functional gap junctions between the two cell types. PMID:27661112
Electrical transfer function and poling mechanisms for nonlinear optical polymer modulators
NASA Astrophysics Data System (ADS)
Watson, Michael Dale
2005-07-01
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. Experiments 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.
Properties of low-frequency head-related transfer functions in the barn owl (Tyto alba).
Hausmann, Laura; von Campenhausen, Mark; Wagner, Hermann
2010-09-01
The barn owl (Tyto alba) possesses several specializations regarding auditory processing. The most conspicuous features are the directionally sensitive facial ruff and the asymmetrically arranged ears. The frequency-specific influence of these features on sound has consequences for sound localization that might differ between low and high frequencies. Whereas the high-frequency range (>3 kHz) is well investigated, less is known about the characteristics of head-related transfer functions for frequencies below 3 kHz. In the present study, we compared 1/3 octaveband-filtered transfer functions of barn owls with center frequencies ranging from 0.5 to 9 kHz. The range of interaural time differences was 600 micros at frequencies above 4 kHz, decreased to 505 micros at 3 kHz and increased again to about 615 micros at lower frequencies. The ranges for very low (0.5-1 kHz) and high frequencies (5-9 kHz) were not statistically different. Interaural level differences and monaural gains increased monotonically with increasing frequency. No systematic influence of the body temperature on the measured localization cues was observed. These data have implications for the mechanism underlying sound localization and we suggest that the barn owl's ears work as pressure receivers both in the high- and low-frequency ranges.
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.
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.
Thuringer, Dominique; Boucher, Jonathan; Jego, Gaetan; Pernet, Nicolas; Cronier, Laurent; Hammann, Arlette; Solary, Eric; Garrido, Carmen
2016-11-08
Extensive invasion and angiogenesis are hallmark features of malignant glioblastomas. Here, we co-cultured U87 human glioblastoma cells and human microvascular endothelial cells (HMEC) to demonstrate the exchange of microRNAs that initially involve the formation of gap junction communications between the two cell types. The functional inhibition of gap junctions by carbenoxolone blocks the transfer of the anti-tumor miR-145-5p from HMEC to U87, and the transfer of the pro-invasive miR-5096 from U87 to HMEC. These two microRNAs exert opposite effects on angiogenesis in vitro. MiR-5096 was observed to promote HMEC tubulogenesis, initially by increasing Cx43 expression and the formation of heterocellular gap junctions, and secondarily through a gap-junction independent pathway. Our results highlight the importance of microRNA exchanges between tumor and endothelial cells that in part involves the formation of functional gap junctions between the two cell types.
NASA Astrophysics Data System (ADS)
Lee, Y. C.; Thompson, H. M.; Gaskell, P. H.
2009-12-01
FILMPAR is a highly efficient and portable parallel multigrid algorithm for solving a discretised form of the lubrication approximation to three-dimensional, gravity-driven, continuous thin film free-surface flow over substrates containing micro-scale topography. While generally applicable to problems involving heterogeneous and distributed features, for illustrative purposes the algorithm is benchmarked on a distributed memory IBM BlueGene/P computing platform for the case of flow over a single trench topography, enabling direct comparison with complementary experimental data and existing serial multigrid solutions. Parallel performance is assessed as a function of the number of processors employed and shown to lead to super-linear behaviour for the production of mesh-independent solutions. In addition, the approach is used to solve for the case of flow over a complex inter-connected topographical feature and a description provided of how FILMPAR could be adapted relatively simply to solve for a wider class of related thin film flow problems. Program summaryProgram title: FILMPAR Catalogue identifier: AEEL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEL_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.: 530 421 No. of bytes in distributed program, including test data, etc.: 1 960 313 Distribution format: tar.gz Programming language: C++ and MPI Computer: Desktop, server Operating system: Unix/Linux Mac OS X Has the code been vectorised or parallelised?: Yes. Tested with up to 128 processors RAM: 512 MBytes Classification: 12 External routines: GNU C/C++, MPI Nature of problem: Thin film flows over functional substrates containing well-defined single and complex topographical features are of enormous significance, having a wide variety of engineering
Bio-inspired direct patterning functional nanothin microlines: controllable liquid transfer.
Wang, Qianbin; Meng, Qingan; Wang, Pengwei; Liu, Huan; Jiang, Lei
2015-04-28
Developing a general and low-cost strategy that enables direct patterning of microlines with nanometer thickness from versatile liquid-phase functional materials and precise positioning of them on various substrates remains a challenge. Herein, with inspiration from the oriental wisdom to control ink transfer by Chinese brushes, we developed a facile and general writing strategy to directly pattern various functional microlines with homogeneous distribution and nanometer-scale thickness. It is demonstrated that the width and thickness of the microlines could be well-controlled by tuning the writing method, providing guidance for the adaptation of this technique to various systems. It is also shown that various functional liquid-phase materials, such as quantum dots, small molecules, polymers, and suspensions of nanoparticles, could directly write on the substrates with intrinsic physicochemical properties well-preserved. Moreover, this technique enabled direct patterning of liquid-phase materials on certain microdomains, even in multiple layered style, thus a microdomain localized chemical reaction and the patterned surface chemical modification were enabled. This bio-inspired direct writing device will shed light on the template-free printing of various functional micropatterns, as well as the integrated functional microdevices.
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.
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
The Transfer Function Model as a Tool to Study and Describe Space Weather Phenomena
NASA Technical Reports Server (NTRS)
Porter, Hayden S.; Mayr, Hans G.; Bhartia, P. K. (Technical Monitor)
2001-01-01
The Transfer Function Model (TFM) is a semi-analytical, linear model that is designed especially to describe thermospheric perturbations associated with magnetic storms and substorm. activity. It is a multi-constituent model (N2, O, He H, Ar) that accounts for wind induced diffusion, which significantly affects not only the composition and mass density but also the temperature and wind fields. Because the TFM adopts a semianalytic approach in which the geometry and temporal dependencies of the driving sources are removed through the use of height-integrated Green's functions, it provides physical insight into the essential properties of processes being considered, which are uncluttered by the accidental complexities that arise from particular source geometrie and time dependences. Extending from the ground to 700 km, the TFM eliminates spurious effects due to arbitrarily chosen boundary conditions. A database of transfer functions, computed only once, can be used to synthesize a wide range of spatial and temporal sources dependencies. The response synthesis can be performed quickly in real-time using only limited computing capabilities. These features make the TFM unique among global dynamical models. Given these desirable properties, a version of the TFM has been developed for personal computers (PC) using advanced platform-independent 3D visualization capabilities. We demonstrate the model capabilities with simulations for different auroral sources, including the response of ducted gravity waves modes that propagate around the globe. The thermospheric response is found to depend strongly on the spatial and temporal frequency spectra of the storm. Such varied behavior is difficult to describe in statistical empirical models. To improve the capability of space weather prediction, the TFM thus could be grafted naturally onto existing statistical models using data assimilation.
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.
A general transfer-function approach to noise filtering in open-loop quantum control
NASA Astrophysics Data System (ADS)
Viola, Lorenza
2015-03-01
Hamiltonian engineering via unitary open-loop quantum control provides a versatile and experimentally validated framework for manipulating a broad class of non-Markovian open quantum systems of interest, with applications ranging from dynamical decoupling and dynamically corrected quantum gates, to noise spectroscopy and quantum simulation. In this context, transfer-function techniques directly motivated by control engineering have proved invaluable for obtaining a transparent picture of the controlled dynamics in the frequency domain and for quantitatively analyzing performance. In this talk, I will show how to identify a computationally tractable set of ``fundamental filter functions,'' out of which arbitrary filter functions may be assembled up to arbitrary high order in principle. Besides avoiding the infinite recursive hierarchy of filter functions that arises in general control scenarios, this fundamental set suffices to characterize the error suppression capabilities of the control protocol in both the time and frequency domain. I will show, in particular, how the resulting notion of ``filtering order'' reveals conceptually distinct, albeit complementary, features of the controlled dynamics as compared to the ``cancellation order,'' traditionally defined in the Magnus sense. Implications for current quantum control experiments will be discussed. Work supported by the U.S. Army Research Office under Contract No. W911NF-14-1-0682.
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 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
Greivenkamp, J E; Lowman, A E
1994-08-01
A simple method for the measurement of the pixel modulation transfer function (MTF) of sparse-array (extended MTF) sensors has been developed. We use a phase-shifting Twyman-Green interferometer to generate a series of single spatial-frequency fringe patterns incident on the sensor The resulting signal modulation is measured. We achieve self-calibration by restricting the measured spatial frequencies to multiples of the Nyquist frequency. The aliased patterns at these frequencies are unique and easily identifiable. Spatial frequencies of 480 cycles/mm are generated and measured. This frequency value is more than ten times that of the sensor sampling frequency. The expected MTF shape is obtained at multiples of the sampling frequency. At odd multiples of the Nyquist frequency, the MTF's are affected by the electronic bandwidth and cross talk in the charge-injection device sensor.
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.
The effect of mean flow swirl on the transfer function of an M-flame
NASA Astrophysics Data System (ADS)
Skene, Calum; Schmid, Peter
2016-11-01
Direct numerical simulations of the compressible, reactive Navier-Stokes equations are used to probe the influence of mean flow swirl on the frequency response of an axisymmetric M-flame. Using linearized governing equations, coupled with its adjoint analogue, the optimal gain with respect to harmonic forcing is computed using an iterative direct-adjoint looping technique. The discrete adjoint equations are determined by modular automatic differentiation of the linearized code. The direct and adjoint information are further used to provide sensitivity information with respect to the forcing frequency, as well as to changes in the governing parameters (swirl number, Reynolds number, etc.). Special emphasis will be put on the influence of mean flow swirl on amplification and frequency shifts in the flame transfer function (FTF).
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)
Zhang, Rongfu; Zhang, Min; Lu, Kang; Wang, Tao; Wang, Liangliang; Zhuang, Songlin
2012-03-01
The wavefront coding technology is an effectively method for extending the depth of field. However, the phase delayed by the phase mask changes with light wavelength, and the chromatic aberration is caused by chromatic dispersion of the optical elements. The modulation transfer function (MTF) of the cubic phase mask (CPM) system is derived with considering the axial chromatic aberration and optical path difference variation with wavelength, and the wavelength behavior of CPM system is analyzed in details. We yield that the MTF is approximately wavelength invariant within a certain frequency bandwidth, and the bandwidth is nearly inverse proportional to wavelength and varies with axial chromatic aberration. The effect induced by dispersion of the CPM material is very weak. If the CPM system is illuminated by wideband spectral light and the ACA exists, then the frequency bandwidth may become narrower than the monochromatic case, and the position of image sensor can be relocated to balance frequency bandwidth among all wavelengths.
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.
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.
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
Transfer functions for solid-solution partitioning of cadmium for Australian soils.
de Vries, W; McLaughlin, M J; Groenenberg, J E
2011-12-01
To assess transport and ecotoxicological risks of metals, such as cadmium (Cd) in soils, models are needed for partitioning and speciation. We derived regression-based "partition-relations" based on adsorption and desorption experiments for main Australian soil types. First, batch adsorption experiments were carried out over a realistic range of dissolved Cd concentrations in agricultural soils in Australia. Results showed linear sorption relationships, implying the adequacy of using Kd values to describe partitioning. Desorption measurements were then carried out to assess in-situ Kd values and relate these to soil properties The best transfer functions for solid-solution partitioning were found for Kd values relating total dissolved Cd concentration to total soil Cd concentrations, accounting for the variation in pH, SOM contents and DOC concentrations. Model predictions compared well with measurements of an independent data set, but there was a tendency to underestimate dissolved Cd concentrations of highly polluted soils.
Charge-Transfer Excited States in Aqueous DNA: Insights from Many-Body Green's Function Theory
NASA Astrophysics Data System (ADS)
Yin, Huabing; Ma, Yuchen; Mu, Jinglin; Liu, Chengbu; Rohlfing, Michael
2014-06-01
Charge-transfer (CT) excited states play an important role in the excited-state dynamics of DNA in aqueous solution. However, there is still much controversy on their energies. By ab initio many-body Green's function theory, together with classical molecular dynamics simulations, we confirm the existence of CT states at the lower energy side of the optical absorption maximum in aqueous DNA as observed in experiments. We find that the hydration shell can exert strong effects (˜1 eV) on both the electronic structure and CT states of DNA molecules through dipole electric fields. In this case, the solvent cannot be simply regarded as a macroscopic screening medium as usual. The influence of base stacking and base pairing on the CT states is also discussed.
NASA Astrophysics Data System (ADS)
Campanyà, Joan; Ogaya, Xènia; Jones, Alan G.; Rath, Volker; Vozar, Jan; Meqbel, Naser
2016-12-01
As a consequence of measuring time variations of the electric and the magnetic field, which are related to current flow and charge distribution, magnetotelluric (MT) data in 2-D and 3-D environments are not only sensitive to the geoelectrical structures below the measuring points but also to any lateral anomalies surrounding the acquisition site. This behaviour complicates the characterization of the electrical resistivity distribution of the subsurface, particularly in complex areas. In this manuscript we assess the main advantages of complementing the standard MT impedance tensor (Z) data with interstation horizontal magnetic tensor (H) and geomagnetic transfer function (T) data in constraining the subsurface in a 3-D environment beneath a MT profile. Our analysis was performed using synthetic responses with added normally distributed and scattered random noise. The sensitivity of each type of data to different resistivity anomalies was evaluated, showing that the degree to which each site and each period is affected by the same anomaly depends on the type of data. A dimensionality analysis, using Z, H and T data, identified the presence of the 3-D anomalies close to the profile, suggesting a 3-D approach for recovering the electrical resistivity values of the subsurface. Finally, the capacity for recovering the geoelectrical structures of the subsurface was evaluated by performing joint inversion using different data combinations, quantifying the differences between the true synthetic model and the models from inversion process. Four main improvements were observed when performing joint inversion of Z, H and T data: (1) superior precision and accuracy at characterizing the electrical resistivity values of the anomalies below and outside the profile; (2) the potential to recover high electrical resistivity anomalies that are poorly recovered using Z data alone; (3) improvement in the characterization of the bottom and lateral boundaries of the anomalies with low
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
Optical transfer function in corneal topography for clinical contrast sensitivity analysis
NASA Astrophysics Data System (ADS)
Bende, Thomas; Jean, Benedikt J.; Oltrup, Theo
2000-06-01
Customized ablation aiming to optimize visual acuity in refractive surgery requires objective data on corneal surface, like the contrast sensitivity. Fast ray tracing, using the high resolution 3-D elevation data in conjunction with Snell's law describe the diffraction of the incident rays and the resulting image on a 'virtual retina.' A retroprojection leads to a 'surface quality map.' For objective contrast sensitivity measurement a sinus (or cos) wave of different frequencies is used for a calculated projection in analogy to the clinical contrast sensitivity charts. The projection on the individual cornea surface is analyzed for the Modular Transfer Function (MTF) and the Phase Shift Function (PSF) as a function of frequencies. PSF, not yet clinically used, is a parameter to determine even minimal corneal tilt. The resulting corneal aberration map (CAM) as described here and applied to a 4.5 D PRK (OZD equals 6.5 mm) reveals that the area of minimal aberration measures only 4.2 mm. The CAM can likewise be used to describe the 'quality' of a laser system's ablation pattern based upon the area of minimal optical aberrations. The CAM only describes surface aberration with high resolution, an advantage over wave front sensing which measures all accumulated optical aberrations including the changing ones of the lens during accommodation and the transient ones due to lens aging and early cataract formation.
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
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.
Functionalization of nylon membranes via surface-initiated atom-transfer radical polymerization.
Xu, F J; Zhao, J P; Kang, E T; Neoh, K G; Li, J
2007-07-31
The ability to manipulate and control the surface properties of nylons is of crucial importance to their widespread applications. In this work, surface-initiated atom-transfer radical polymerization (ATRP) is employed to tailor the functionality of the nylon membrane and pore surfaces in a well-controlled manner. A simple two-step method, involving the activation of surface amide groups with formaldehyde and the reaction of the resulting N-methylol polyamide with 2-bromoisobutyryl bromide, was first developed for the covalent immobilization of ATRP initiators on the nylon membrane and its pore surfaces. Functional polymer brushes of 2-hydroxyethyl methacrylate (HEMA) and poly(ethylene glycol)monomethacrylate (PEGMA) were prepared via surface-initiated ATRP from the nylon membranes. A kinetics study revealed that the chain growth from the membranes was consistent with a "controlled" process. The dormant chain ends of the grafted HEMA polymer (P(HEMA)) and PEGMA polymer (P(PEGMA)) on the nylon membranes could be reactivated for the consecutive surface-initiated ATRP to produce the corresponding nylon membranes functionalized by P(HEMA)-b-P(PEGMA) and P(PEGMA)-b-P(HEMA) diblock copolymer brushes. In addition, membranes with grafted P(HEMA) and P(PEGMA) brushes exhibited good resistance to protein adsorption and fouling under continuous-flow conditions.
NASA Astrophysics Data System (ADS)
Betancourt-Benítez, Ricardo; Ning, Ruola; Liu, Shaohua
2009-11-01
Several factors during the scanning process, image reconstruction and geometry of an imaging system, influence the spatial resolution of a computed tomography imaging system. In this work, the spatial resolution of a state of the art flat panel detector-based cone beam computed tomography breast imaging system is evaluated. First, scattering, exposure level, voltage, voxel size, pixel size, back-projection filter, reconstruction algorithm, and number of projections are varied to evaluate their effect on spatial resolution. Second, its uniformity throughout the whole field of view is evaluated as a function of radius along the x-y plane and as a function of z at the center of rotation. The results of the study suggest that the modulation transfer function is mainly influenced by the pixel, back-projection filter, and number of projections used. The evaluation of spatial resolution throughout the field of view also suggests that this imaging system does have a 3-D quasi-isotropic spatial resolution in a cylindrical region of radius equal to 40 mm centered at the axis of rotation. Overall, this study provides a useful tool to determine the optimal parameters for the best possible use of this cone beam computed tomography breast imaging system.
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.
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.
Using Transfer Functions to Understand Dynamics of Climate Variability in ENSO and AMOC
NASA Astrophysics Data System (ADS)
MacMynowski, D. G.; Tziperman, E.
2011-12-01
Transfer function tools commonly used in engineering control analysis can be useful in evaluating and comparing how global climate models capture various dynamic processes that affect inter-annual variability; this can help identify compensating model errors. The transfer function describes the frequency-dependent input-output relationship between any pair of causally-related variables, and can be estimated from time series obtained either from data or from models. This can then be used to diagnose the underlying differential equations that relate the variables, and hence to describe the dynamics of individual subsystem processes. Estimating process parameters across multiple models, or between models and data, then allows the identification of compensating model errors that may lead to a seemingly realistic simulation for the wrong reason. We illustrate this tool for two sources of climate variability, ENSO and AMOC (Atlantic meridional overturning circulation). For ENSO, we consider the TAO array for ocean data, the GFDL CM2.1 general circulation model (GCM), and the Cane-Zebiak ENSO model. The delayed oscillator description of ENSO is used to motivate a few of the relevant processes involved in the dynamics, such as relationships between eastern Pacific thermocline depth and sea surface temperature, or from sea surface temperature to wind stress. We identify several differences in the processes between the models and data that may be useful in improving the models. For AMOC, this methodology is being applied to evaluate and compare multiple models in the CMIP5 database to understand what processes are robust across models. In particular, we consider the influence on the MOC index due to different factors which are expected to be important for determining the dynamics and variability mechanisms, such as high latitude sea surface salinity or low latitude SST. Future work will compare pre-industrial and climate-change scenarios, with the potential to better
Cd(ii)-MOF-IM: post-synthesis functionalization of a Cd(ii)-MOF as a triphase transfer catalyst.
Wang, Jian-Cheng; Ma, Jian-Ping; Liu, Qi-Kui; Hu, Yu-Hong; Dong, Yu-Bin
2016-05-19
A robust and porous Cd(ii)-MOF based on a bent imidazole-bridged ligand was synthesized and post-synthetically functionalized with linear alkyl chains to afford imidazolium salt (IM)-type triphase transfer catalysts for organic transformations. The imidazolium salt decorated Cd(ii)-MOF-IM exhibits typical solid phase transfer catalytic behavior for the azidation and thiolation of bromoalkane between aqueous/organic phases. Moreover, they can be easily recovered and reused under the PTC conditions. Cd(ii)-MOF-IM herein created a versatile family of solid phase transfer catalysts for promoting a broad scope of reactions carried out in a biphasic mixture of two immiscible solvents.
Ambudkar, Suresh V.; Sauna, Zuben E.; Gottesman, Michael M.; Szakacs, Gergely
2005-01-01
Intercellular transfer of proteins is a mode of communication between cells that is crucial for certain physiological processes. Chemotherapy is the treatment of choice for ~50% of all cancers. However, multidrug resistance mediated by drug-efflux pumps such as P-glycoprotein (Pgp) minimizes the effectiveness of such therapy in a large number of patients. A new study demonstrates the functional intercellular transfer of Pgp. Non-genetic transfer of the multidrug resistance phenotype raises fascinating questions about the mechanism and regulation of cell-surface membrane-protein-mediated spread of traits. PMID:15978680
Edwards, Robin J; Horton, B P
2006-04-15
This paper provides a brief overview of the transfer function approach to sea-level reconstruction. Using the example of two overlapping sediment cores from the North Norfolk coast, UK, the advantages and limitations of the transfer function methodology are examined. While the selected cores are taken from different sites, and display contrasting patterns of sedimentation, the foraminiferal transfer function distils comparable records of relative sea-level change from both sequences. These reconstructions are consistent with existing sea-level index points from the region but produce a more detailed record of relative sea-level change. Transfer functions can extract sea-level information from a wider range of sedimentary sub-environments. This increases the amount of data that can be collected from coastal deposits and improves record resolution. The replicability of the transfer function methodology, coupled with the sequential nature of the data it produces, assists in the compilation and analysis of sea-level records from different sites. This technique has the potential to bridge the gap between short-term (instrumental) and long-term (geological or geophysical) records of sea-level change.
Therattil, Paul J.; Russo, Gerardo; Lee, Edward S.
2017-01-01
Objective: The latissimus dorsi flap is a workhorse for plastic surgeons, being used for many years for soft-tissue coverage of the upper extremity as well as for functional reconstruction to restore motion to the elbow and shoulder. The authors present a case of functional latissimus dorsi transfer for restoration of elbow flexion and review the literature on technique and outcomes. Methods: A literature review was performed using MEDLINE and the Cochrane Collaboration Library for primary research articles on functional latissimus dorsi flap transfer. Data related to surgical techniques and outcomes were extracted. Results: The literature search yielded 13 relevant studies, with a total of 52 patients who received pedicled, functional latissimus dorsi flaps for upper-extremity reconstruction. The most common etiology requiring reconstruction was closed brachial plexus injury (n = 13). After flap transfer, 98% of patients were able to flex the elbow against gravity and 82.3% were able to flex against resistance. In the presented case, a 77-year-old man underwent resection of myxofibrosarcoma of the upper arm with elbow prosthesis placement and functional latissimus dorsi transfer. The patient was able to actively flex against gravity at 3-month follow-up. Conclusions: A review of the literature shows that nearly all patients undergoing functional latissimus dorsi transfer for upper-extremity reconstruction regain at least motion against gravity whereas a large proportion regain motion against resistance. Considerations when planning for functional latissimus dorsi transfer include patient positioning, appropriate tensioning of the muscle, safe inset, polarity, management of other affected upper-extremity joints, and educating patients on the expected outcomes. PMID:28293330
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)
Milker, Y.; Wilken, M.; Schumann, J.; Sakuna, D.; Feldens, P.; Schwarzer, K.; Schmiedl, G.
2013-05-01
We have investigated the benthic foraminiferal fauna from sediment event layers associated with the 2004 Indian Ocean tsunami and former storms, that have been retrieved in short sediment cores from offshore environments of the Andaman Sea, off Khao Lak, western Thailand. Species composition and test preservation of the benthic foraminiferal faunas exhibit pronounced changes across the studied sections and provide information on the depositional history of the tsunami layer, particularly on the source water depth of the displaced foraminiferal tests. In order to obtain accurate bathymetric information on sediment provenance, we have mapped the distribution of modern faunas in non-tsunamigenic surface sediments and created a calibration data set for the development of a transfer function. Our quantitative reconstructions revealed that the re-suspension of sediment particles by the tsunami wave was restricted to a maximum water depth of approximately 20 m. Similar values were obtained for former storm events, thus impeding an easy distinction of different high-energy events.
NASA Astrophysics Data System (ADS)
Milker, Y.; Wilken, M.; Schumann, J.; Sakuna, D.; Feldens, P.; Schwarzer, K.; Schmiedl, G.
2013-12-01
We have investigated the benthic foraminiferal fauna from sediment event layers associated with the 2004 Indian Ocean tsunami and former storms that have been retrieved in short sediment cores from offshore environments of the Andaman Sea, off Khao Lak, western Thailand. Species composition and test preservation of the benthic foraminiferal faunas exhibit pronounced changes across the studied sections and provide information on the depositional history of the tsunami layer, particularly on the source water depth of the displaced foraminiferal tests. In order to obtain accurate bathymetric information on sediment provenance, we have mapped the distribution of modern faunas in non-tsunamigenic surface sediments and created a calibration data set for the development of a transfer function. Our quantitative reconstructions revealed that the resuspension of sediment particles by the tsunami wave was restricted to a maximum water depth of approximately 20 m. Similar values were obtained for former storm events, thus impeding an easy distinction of different high-energy events.
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
NASA Astrophysics Data System (ADS)
Coppola, A.; Comegna, V.; de Simone, L.
2009-04-01
Non-point source (NPS) pollution in the vadose zone is a global environmental problem. The knowledge and information required to address the problem of NPS pollutants in the vadose zone cross several technological and sub disciplinary lines: spatial statistics, geographic information systems (GIS), hydrology, soil science, and remote sensing. The main issues encountered by NPS groundwater vulnerability assessment, as discussed by Stewart [2001], are the large spatial scales, the complex processes that govern fluid flow and solute transport in the unsaturated zone, the absence of unsaturated zone measurements of diffuse pesticide concentrations in 3-D regional-scale space as these are difficult, time consuming, and prohibitively costly, and the computational effort required for solving the nonlinear equations for physically-based modeling of regional scale, heterogeneous applications. As an alternative solution, here is presented an approach that is based on coupling of transfer function and GIS modeling that: a) is capable of solute concentration estimation at a depth of interest within a known error confidence class; b) uses available soil survey, climatic, and irrigation information, and requires minimal computational cost for application; c) can dynamically support decision making through thematic mapping and 3D scenarios This result was pursued through 1) the design and building of a spatial database containing environmental and physical information regarding the study area, 2) the development of the transfer function procedure for layered soils, 3) the final representation of results through digital mapping and 3D visualization. One side GIS modeled environmental data in order to characterize, at regional scale, soil profile texture and depth, land use, climatic data, water table depth, potential evapotranspiration; on the other side such information was implemented in the up-scaling procedure of the Jury's TFM resulting in a set of texture based travel time
NASA Astrophysics Data System (ADS)
Shanmugam, M.; Kumar, G.; Narasimhan, B.
2013-12-01
A study to examine the effect of rainfall variable on groundwater level fluctuation was analyzed using transfer function noise (TFN) models for five representative wells from the study area of Adyar basin located in the north-east coastal part of Tamil Nadu, India. Five representative wells out of 43 were chosen based on maximum coefficient of determination (R2) value by simple linear regression analysis where rainfall and water level rise time series were used as independent and dependent variables respectively. An alternative method of zone wise Thiessen rainfall (ZTR), where the zones were separated by Thiessen method and the wells contained in the zones were regressed upon that particular zone station rainfall values with 100% weightage, was giving maximum R2 value compared to other traditional ways of estimating areal average rainfall methods such as simple arithmetic average (SAA) and Thiessen polygon (TP) methods. Water level fluctuation was further modeled using TFN modeling approach in which missing rainfall was filled using normal ratio (NR) method as it was giving maximum R2 value compared to simple station average (SSA) and inverse distance (ID) methods. A deseasonalized transfer function noise modeling (DS-TFN) approach has been adopted in the study which minimizes the number of numerator and denominator polynomial parameters and assures an improved method of forecasting groundwater level fluctuation in terms of maximum R2 and minimum root mean square error (RMSE) values compared to other traditional TFN models such as ARIMAX and SARIMAX. Before identifying suitable TFN model structure for input-output data, the data was analyzed for seasonality. Since both rainfall series and selected water level data show the seasonality behavior, it was adjusted with deseasonalizing process. Deseasonalizing process was carried out after detrending the data with 13-term moving average process and estimating seasonal component from the detrended series using seasonal
NASA Astrophysics Data System (ADS)
Rana, Meenakshi; Singla, Nidhi; Chatterjee, Amrita; Shukla, Abhishek; Chowdhury, Papia
2016-12-01
Nonlinear Optical (NLO) properties of amine functionalized tetraphenylethylene (TPE-NH2) have been recorded and analyzed. The structural geometry, bonding features, harmonic vibrational frequencies (FTIR and Raman) of TPE-NH2 have been investigated by B3LYP density functional theory (DFT). Charge (Mulliken and natural) analysis, natural bond orbital (NBO) analysis, frontier molecular orbitals (FMOs), 13C and 1H nuclear magnetic resonance (NMR) and molecular electrostatic potential (MEP) indicate the delocalization of charges over the donor-acceptor region by the increase of C-N bond length. The vibrational analysis on the basis of potential energy distribution (PED) confirms the charge transfer interaction between donor and acceptor groups, and that in turn validates the presence of the larger dipole moment (μ), polarizability and hyperpolarizabilities (α, β and γ) in TPE-NH2. Higher value of ionization potential (IP), electronegativity (χ), hardness (η), chemical potential (CP) and smaller HOMO-LUMO energy gap (Δε) validate TPE-NH2's strong candidature to be used as an NLO active material.