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At least 19 records

Towards the Structure Determination of a Modulated Protein Crystal: The Semicrystalline State of Profilin:Actin

One of the remaining challenges to structural biology is the solution of modulated structures. While small molecule crystallographers have championed this type of structure, to date, no modulated macromolecular structures have been determined. Modulation of the molecular structures within the crystal can produce satellite reflections or a superlattice of reflections in reciprocal space. We have developed the data collection methods and strategies that are needed to collect and analyze these data. If the macromolecule's crystal lattice is composed of physiologically relevant packing contacts, structural changes induced under physiological conditions can cause distortion relevant to the function and biophysical processes of the molecule making up the crystal. By careful measurement of the distortion, and the corresponding three-dimensional structure of the distorted molecule, we will visualize the motion and mechanism of the biological macromolecule(s). We have measured the modulated diffraction pattern produced by the semicrystalline state of profilin:actin crystals using highly parallel and highly monochromatic synchrotron radiation coupled with fine phi slicing (0.001-0.010 degrees) for structure determination. These crystals present these crystals present a unique opportunity to address an important question in structural biology. The modulation is believed to be due to the formation of actin helical filaments from the actin beta ribbon upon the pH-induced dissociation of profilin. To date, the filamentous state of actin has resisted crystallization and no detailed structures are available. The semicrystalline state profilin:actin crystals provides a unique opportunity to understand the many conformational states of actin. This knowledge is essential for understanding the dynamics underlying shape changes and motility of eukaryotic cells. Many essential processes, such as cytokinesis, phagocytosis, and cellular migration depend upon the capacity of the actin microfilament system to be restructured in a controlled manner via polymerization, depolymerization, severing, cross-linking, and anchorage. The structure the semicrystalline state of profilin:actin will challenge and validate current models of muscle contraction and cell motility. The methodology and theory under development will be easily extendable to other systems.

Borgstahl, G.↗

Method of fan sound mode structure determination

A method for the determination of fan sound mode structure in the Inlet of turbofan engines using in-duct acoustic pressure measurements is presented. The method is based on the simultaneous solution of a set of equations whose unknowns are modal amplitude and phase. A computer program for the solution of the equation set was developed. An additional computer program was developed which calculates microphone locations the use of which results in an equation set that does not give rise to numerical instabilities. In addition to the development of a method for determination of coherent modal structure, experimental and analytical approaches are developed for the determination of the amplitude frequency spectrum of randomly generated sound models for use in narrow annulus ducts. Two approaches are defined: one based on the use of cross-spectral techniques and the other based on the use of an array of microphones.

Pickett, G. F.↗

SCI model structure determination program (OSR) user's guide

The computer program, OSR (Optimal Subset Regression) which estimates models for rotorcraft body and rotor force and moment coefficients is described. The technique used is based on the subset regression algorithm. Given time histories of aerodynamic coefficients, aerodynamic variables, and control inputs, the program computes correlation between various time histories. The model structure determination is based on these correlations. Inputs and outputs of the program are given.

Source record↗

Applications of model structure determination to flight test data

Several statistical and information criteria need to be considered when selecting an adequate model. Incorrect stability and control derivates result from inadequate aerodynamic model structure. Stepwise regression is used to determine the structure for an adequate model. Flight data which covers a nonlinear aerodynamic model range may be analyzed as a single data set or partitioned into several distinct sets. Stepwise regression for model structure detemination and parameter estimation was successfully applied to three aircraft types (single engine general aviation, unaugmented modern jet fighter, jet transport).

Batterson, J. G.↗

STEP and STEPSPL: Computer programs for aerodynamic model structure determination and parameter estimation

The successful parametric modeling of the aerodynamics for an airplane operating at high angles of attack or sideslip is performed in two phases. First the aerodynamic model structure must be determined and second the associated aerodynamic parameters (stability and control derivatives) must be estimated for that model. The purpose of this paper is to document two versions of a stepwise regression computer program which were developed for the determination of airplane aerodynamic model structure and to provide two examples of their use on computer generated data. References are provided for the application of the programs to real flight data. The two computer programs that are the subject of this report, STEP and STEPSPL, are written in FORTRAN IV (ANSI l966) compatible with a CDC FTN4 compiler. Both programs are adaptations of a standard forward stepwise regression algorithm. The purpose of the adaptation is to facilitate the selection of a adequate mathematical model of the aerodynamic force and moment coefficients of an airplane from flight test data. The major difference between STEP and STEPSPL is in the basis for the model. The basis for the model in STEP is the standard polynomial Taylor's series expansion of the aerodynamic function about some steady-state trim condition. Program STEPSPL utilizes a set of spline basis functions.

Batterson, J. G.↗

Leveraging the Gravity Field Spectrum for Icy Satellite Interior Structure Determination: The case of Europa with the Europa Clipper Mission

Understanding the interior structures of icy moons is pivotal for addressing their origins and habitability. We introduce an approach employing the gravity field spectrum as an additional constraint for the inversion of differentiated icy bodies' interior structures. After developing the general methodology, we apply it to Europa, utilizing the predicted measurement capability of NASA's Europa Clipper mission, and we prove its effectiveness in resolving key geophysical parameters. Notably, we show that using the gravity field spectrum in combination with the mass and moment of inertia of the body allows us to estimate, depending on the considered end-member interior structure, the hydrosphere thickness with 4–20 km uncertainty and reliably determine the seafloor maximum topographic range and elastic thickness to within 100–600 m and 5–15 km, respectively, together with the power–degree relationship of the seafloor topography. We also show that the proposed method allows us to determine the density of the silicate mantle and the radius of the core to within 0.25 g cc −1 and 50 km, respectively.

G. Cascioli↗

Shallow lunar structure determined from the passive seismic experiment

Data relevant to the shallow structure of the moon obtained at the Apollo seismic stations are compared with previously published results of the active seismic experiments. It is concluded that the lunar surface is covered by a layer of low seismic velocity which appears to be equivalent to the lunar regolith defined previously by geological observations. This layer is underlain by a zone of distinctly higher seismic velocity at all of the Apollo landing sites. The regolith thicknesses at the Apollo 11, 12, and 15 sites are estimated from the shear-wave resonance to be 4.4, 3.7, and 4.4 m, respectively. These thicknesses and those determined at the other Apollo sites by the active seismic experiments appear to be correlated with the age determinations and the abundances of extralunar components at the sites.

Nakamura, Y.↗

DNA in a Tunnel: A Comfy Spot for Recognition - or -The Structure of BsoBI Complexed with DNA. What can we Learn about Function via Structure Determination and how can this be Applied to Bone or Muscle Biology?

The structure and function of a biologically active molecule are related. To understand its function, it is necessary (but not always sufficient) to know the structure of the molecule. There are many ways of relating the molecular function with the structure. Mutation analysis can identify pertinent amino acids of an enzyme, or alternatively structure comparison of the of two similar molecules with different function may lead to understanding which parts are responsible for a functional aspect, or a series of "structural cartoons" - enzyme structure, enzyme plus substrate, enzyme with transition state analog, and enzyme with product - may give insight in the function of a molecule. As an example we will discuss the structure and function of the restriction enzyme BsoBI from Bacillus stearothemzophilus in complex with its cognate DNA. The enzyme forms a unique complex with DNA in that it completely encircles the DNA. The structure reveals the enzyme-DNA contacts, how the DNA is distorted compared with the canonical forms, and elegantly shows how two distinct DNA sequences can be recognized with the same efficiency. Based on the structure we may also propose a hypothesis how the enzymatic mechanism works. The knowledge gained thru studies such as this one can be used to alter the function by changing the molecular structure. Usually this is done by design of inhibitors specifically active against and fitting into an active site of the enzyme of choice. In the case of BsoBI one of the objectives of the study was to alter the enzyme specificity. In bone biology there are many candidates available for molecular study in order to explain, alter, or (temporarily) suspend activity. For example, the understanding of a pathway that negatively regulates bone formation may be a good target for drug design to stimulate bone formation and have good potential as the basis for new countermeasures against bone loss. In principle the same approach may aid muscle atrophy, radiation damage, immune response changes and other risks identified for long-duration Space travel.

vanderWoerd, Mark↗

Solar-wind structure determined by corotating coronal inhomogeneities. II - Arbitrary perturbations.

The problem of the solar-wind structure resulting from long-lived inhomogeneities in the solar corona has been extended within the framework of a linearized hydrodynamic approach to allow for arbitrary perturbations in the plasma parameters, namely, velocity, density, and temperature. By using a Parker model for the zero-order flow speed, solutions are given for perturbations imposed at the zero-order critical point. Using the restriction that the solutions must be regular at the critical point, it is possible to express all situations as a linear sum of the solutions for pure velocity, density, and temperature perturbations at the critical point. The results of the integrations for three inner-boundary conditions can be used as the elements of matrices that map arbitrary perturbations at one heliocentric distance to any other distance. One interesting feature of the solutions is that the amplitudes at earth for the pure initial temperature situation are larger than for the other two situations.

Siscoe, G. L.↗

Method of fan sound mode structure determination computer program user's manual: Microphone location program

A computer user's manual describing the operation and the essential features of the microphone location program is presented. The Microphone Location Program determines microphone locations that ensure accurate and stable results from the equation system used to calculate modal structures. As part of the computational procedure for the Microphone Location Program, a first-order measure of the stability of the equation system was indicated by a matrix 'conditioning' number.

Pickett, G. F.↗

Atmospheric moisture and cloud structure determined from SSM/I and global gridpoint analyses

Data from the Special Sensor Microwave Imager/I on the DMSP satellite are used to study atmospheric moisture and cloud structure. Column-integrated water vapor and total liquid water retrievals are obtained using an algorithm based on a radiative model for brightness temperature (Wentz, 1983). The results from analyzing microwave and IR measurements are combined with independent global gridpoint analyses to study the distribution and structure of atmospheric moisture over oceanic regions.

Robertson, Franklin R.↗

Atmospheric structure determined from satellite data

The capabilities of the Nimbus 6 satellite sounding data for use in synoptic analysis were considered and interpreted. An evaluation of the ability of the satellite sounding data to detect and depict structural features of the atmosphere was made on the basis of vertical profiles of average difference and standard deviation of differences between satellite and rawinsonde data at nine pressure levels from 850 to 100 mb; and constant pressure charts and cross sections of satellite, rawinsonde and difference values. Results indicate that satellite measurements of temperature as well as the vertical lapse rate and horizontal gradient of temperature are accurate enough to show large scale patterns but not to precisely define fronts or tropopauses; satellite measurements of dew point temperature are smoothed enough to severely reduce contrasts between air masses across fronts; the magnitude of the standard deviation of differences between rawinsonde and satellite data for most variables increases with the synoptic activity in the region; and the most reliable variables to examine from satellite data for depiction of synoptic features are the temperature equivalent potential temperature and mixing ratio.

Knight, K. S.↗

Determining structure in molecular clouds

We descibe an automatic, objective routine for analyzing the clumpy structure in a spectral line position-position-velocity data cube. The algorithm works by first contouring the data at a multiple of the rms noise of the observations, then searches for peaks of emission which locate the clumps, and then follows them down to lower intensities. No a proiri clump profile is assumed. By creating simulated data, we test the performance of the algorithm and show that a contour map most accurately depicts internal structure at a contouring interval equal to twice the rms noise of the map. Blending of clump emission leads to small errors in mass and size determinations and in severe cases can result in a number of clumps being misidentified as a single unit, flattening the measured clump mass spectrum. The algorithm is applied to two real data sets as an example of its use. The Rosette molecular cloud is a 'typical' star-forming cloud, but in the Maddalena molecular cloud high-mass star formation is completely absent. Comparison of the two clump lists generated by the algorithm show that on a one-to-one basis the clumps in the star-forming cloud have higher peak temperatures, higher average densities, and are more gravitationally bound than in the non-star-forming cloud. Collective properties of the clumps, such as temperature-size-line-width-mass relations appear very similar, however. Contrary to the initial results reported in a previous paper (Williams & Blitz 1993), we find that the current, more thoroughly tes ted analysis finds no significant difference in the clump mass spectrum of the two clouds.

Williams, Jonathan P.↗

A method for determining structural properties of RCC thermal protection material

A method was developed for evaluation and prediction of effects of oxidation of the graphitic substrate on structural properties of Reinforced Carbon-Carbon (RCC) thermal protection material. Test specimens of RCC material were exposed to successive periods of convective heating in a plasma-jet facility to simulate the chemical reactions of Shuttle atmospheric entry. After each period of testing, the test specimen mass loss and performance in a nondestructive flexure test were determined. A computational model of the RCC specimen was developed for the NASA Structural Analysis (NASTRAN) program and validated by comparison of calculated and experimental results of flexure tests. The elastic moduli and ultimate loads in tension and compression were then computed for various levels of substrate oxidation.

Wakefield, R. M.↗

Method of fan sound mode structure determination computer program user's manual: Modal calculation program

A computer user's manual describing the operation and the essential features of the Modal Calculation Program is presented. The modal Calculation Program calculates the amplitude and phase of modal structures by means of acoustic pressure measurements obtained from microphones placed at selected locations within the fan inlet duct. In addition, the Modal Calculation Program also calculates the first-order errors in the modal coefficients that are due to tolerances in microphone location coordinates and inaccuracies in the acoustic pressure measurements.

Pickett, G. F.↗

Table of interplanar spacings for crystal-structure determinations by X-ray diffraction with molybdenum, copper, cobalt, iron, and chromium radiations

For a simple diffraction pattern, the time required to calculate interplanar distances from measurements of the pattern is not excessive. If more than a few lines are present, however, or if several patterns are to be studied, it is very advantageous to have available a table giving interplanar spacings directly in terms of the linear measurements made on the film of the lines appearing on the diffraction pattern. The preparation of the table given here was undertaken when the expansion of research activities involving X-ray diffraction techniques indicated that such a table would greatly decrease the time required to analyze diffraction patterns. The table was prepared for use with K alpha(sub 1) radiation from the following target materials: molybdenum, copper, cobalt, iron, and chromium.

METALS - STRUCTURES↗