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At least 433 records · Page 24Linked to original sources

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme.

The stochastic boundary molecular dynamics methodology is applied to the active site of the enzyme lysozyme. A comparison is made of in vacuo dynamics results from the stochastic boundary method and a full conventional molecular dynamics simulation of lysozyme. Excellent agreement between the two approaches is obtained. The influence of solvent on the residues in the active site region is explored and it is shown that both the structure and dynamics are affected. Of particular importance for the structure of the protein is the solvation of polar residues and the stabilization of like-charged ion pairs. The magnitude of the fluctuations is only slightly altered by the solvent; the overall increase in the root-mean-square fluctuations, relative to the vacuum run, is 11%. The solvent effect on dynamical properties is found not to be simply related to the solvent viscosity. Both the solvent exposure and dynamic aspects of protein-solvent interactions, including the relative time scales of the motions, are shown to play a role. The effects of the protein on solvent dynamics and structure are also observed to be significant. The solvent molecules around atoms in charged, polar and apolar side-chains show markedly different diffusion coefficients as well as exhibiting different solvation structures. One key example is the water around apolar groups, which is much less mobile than bulk water, or water solvating polar groups.

Animals↗

Kinematics of helical motion of microorganisms capable of motion with four degrees of freedom.

The kinematics of helical motion are described for an organism with four degrees of freedom, relative to the organism's frame of reference. It can rotate about any of three orthogonal axes, but can translate only in the direction of one axis. In particular, equations are developed for calculating the pitch, radius, and angular frequency of the helical path from the translational and rotational velocities of the microorganism, correcting, and expanding the analysis of Gray J. (1955. J. Exp. Biol. 32:775-801).

Cell Movement↗

Bending motions and internal motions in myosin rod.

Depolarized light scattering and high-resolution 1H NMR measurements were made on solutions of light meromyosin (LMM) and myosin rod in 0.6 M KCl-0.010 M pyrophosphate, pH 9.5, at 20 degrees C. The light scattering data indicated LMM is a rigid molecule. Myosin rod is best described as a once-broken rod with domains that can freely diffuse in conical volumes. The maximum angle that the cone surface makes with the myosin rod axis is 128 degrees, indicating the bending motion of the domains is largely unrestrained. NMR data indicated the fraction of the structure that could be in a random-coil configuration was equal and less than 0.04 for both hydrodynamically rigid LMM and bending myosin rod. Thus, the flexible bending of myosin rod appears to not be due to a random-coil structure.

Animals↗

Pictorial and motion-based depth information during active control of self-motion: size-arrival effects on collision avoidance.

With computer simulations of self-motion, Ss controlled their altitude as they approached a floating object and, after getting as close as possible to the object, tried to "jump" over it without collision. Ss jumped significantly later for small objects, compared with larger objects that were approached from equal distances at equal speeds and were positioned at equal clearance heights. This occurred even when accretion-deletion information was present and when object width and length were varied independently. Results were consistent with studies in which Ss judged a large far approaching object to hit the viewpoint before a small near object that would have arrived sooner (P.R. DeLucia, 1991a, 1991b). Results suggest that pictorial information such as relative size contributes to active collision-avoidance tasks and must be considered in models of perceived distance and time-to-arrival.

Computer Simulation↗

TIRF imaging of docking and fusion of single insulin granule motion in primary rat pancreatic beta-cells: different behaviour of granule motion between normal and Goto-Kakizaki diabetic rat beta-cells.

We imaged and analysed the motion of single insulin secretory granules near the plasma membrane in live pancreatic beta-cells, from normal and diabetic Goto-Kakizaki (GK) rats, using total internal reflection fluorescence microscopy (TIRFM). In normal rat primary beta-cells, the granules that were fusing during the first phase originate from previously docked granules, and those during the second phase originate from 'newcomers'. In diabetic GK rat beta-cells, the number of fusion events from previously docked granules were markedly reduced, and, in contrast, the fusion from newcomers was still preserved. The dynamic change in the number of docked insulin granules showed that, in GK rat beta-cells, the total number of docked insulin granules was markedly decreased to 35% of the initial number after glucose stimulation. Immunohistochemistry with anti-insulin antibody observed by TIRFM showed that GK rat beta-cells had a marked decline of endogenous insulin granules docked to the plasma membrane. Thus our results indicate that the decreased number of docked insulin granules accounts for the impaired insulin release during the first phase of insulin release in diabetic GK rat beta-cells.

Animals↗

[The femoropatellar gliding motion during active knee stretching. Imaging using motion-triggered MR tomography].

By means of motion-triggered MRT it has been possible for the first time to demonstrate movements in the patello-femoral joint by means of MRT. Patello-femoral movement was studied during active extension of the knee between 30 degrees flexion and complete extension. The knees of 5 normal females and 7 normal males were studied together with 2 women with recurrent lateral patellar luxation. In normal women there was an average 16 degrees (10 to 18 degrees), in men an average of 12 degrees (10 to 14 degrees) of lateralisation of the patella during complete extension of the knee. In 1 patient there was 10 degrees medial displacement of the patella before extension. In 2 knees with recurrent lateral subluxation there was a 20 and 24 degrees displacement of the patella.

Adolescent↗

Rectified Brownian motion and kinesin motion along microtubules.

The mechanism of rectified Brownian movement is used to analyze measured data for kinesin motion along microtubules. A key component of the mechanism is the diffusive movement of the microtubule binding heads of kinesin during the adenosine triphosphate (ATP) cycle. The first-passage time distribution for this step is analyzed in detail and is shown to be responsible for observed load-velocity profiles. The ATPase activity of the kinesin heads is that of a nucleotide switch and not that of a direct chemomechanical energy converter. Experimental data acquisition, rate constants, and alternative explanations are discussed. The mechanism described in this paper is fundamental to the nanobiology of intracellular processes.

Adenosine Triphosphatases↗

LV shape and motion: B-spline-based deformable model and sequential motion decomposition.

In this paper, we extend a previous work by J. Park and propose a uniform framework to reconstruct left ventricle (LV) geometry/motion from tagged MR images. In our work, the LV is modeled as a generalized prolate spheroid, and its motion is decomposed into four components-global translation, polar radial/z-axis compression, twisting, and bending. By formulating model parameters as tensor products of B-splines, we develop efficient algorithms to quickly reconstruct LV geometry/motion from extracted boundary contours and tracked planar tags. Experiments on both synthesized and in vivo data are also reported.

Algorithms↗

The Effect of Removing Superior Temporal Cortical Motion Areas in the Macaque Monkey: I. Motion Discrimination Using Simple Dots.

We compared the pre- and postoperative performance of macaque monkeys on visual discrimination tasks entailing the perception of differences in the motion of two luminous spots. Animals in which area MT and adjacent regions had been surgically removed were not significantly impaired as long as there were differences in the temporal frequency of the two stimuli. When the latter were eliminated the postoperative performance of the MT animals was significantly impaired compared to their preoperative performance and compared to the animals in the control groups. The same animals were also impaired at perceiving which of two moving dots, presented in the dark, changed its direction.

Journal Article↗

Mobility in thin polymer films ranging from local segmental motion, Rouse modes to whole chain motion: a coupling model consideration.

Large increases of mobility of local segmental relaxation observed in polymer films as the film thickness is decreased, as evidenced by decreases of the glass temperature, are not found for relaxation mechanisms that have longer length scales including the Rouse relaxation modes and the diffusion of entire polymer chains. We show that the coupling model predictions, when extended to consider polymer thin films, are consistent with a large increase of the mobility of the local segmental motions and the lack of such a change for the Rouse modes and the diffusion of entire polymer chains. There are two effects that can reduce the coupling parameter of the local segmental relaxation in thin films. One is the chain orientation that is induced parallel to the surface when the film thickness h becomes smaller than the end-to-end distance of the chains and the other is a finite-size effect when h is no longer large compared to the cooperative length scale. Extremely thin ( approximately 1.5 nm) films obtained by intercalating a polymer into layered silicates have thickness significantly less than the cooperative length scale near the bulk polymer glass transition temperature. As a result, the coupling parameter of the local segmental relaxation in such thin films is reduced almost to zero. With this plausible assumption, we show the coupling model can explain quantitatively the large decrease of the local segmental relaxation time found experimentally.

Journal Article↗

A motion capture library for the study of identity, gender, and emotion perception from biological motion.

We present the methods that were used in capturing a library of human movements for use in computer-animated displays of human movement. The library is an attempt to systematically tap into and represent the wide range of personal properties, such as identity, gender, and emotion, that are available in a person's movements. The movements from a total of 30 nonprofessional actors (15 of them female) were captured while they performed walking, knocking, lifting, and throwing actions, as well as their combination in angry, happy, neutral, and sad affective styles. From the raw motion capture data, a library of 4,080 movements was obtained, using techniques based on Character Studio (plug-ins for 3D Studio MAX, AutoDesk, Inc.), MATLAB The MathWorks, Inc.), or a combination of these two. For the knocking, lifting, and throwing actions, 10 repetitions of the simple action unit were obtained for each affect, and for the other actions, two longer movement recordings were obtained for each affect. We discuss the potential use of the library for computational and behavioral analyses of movement variability, of human character animation, and of how gender, emotion, and identity are encoded and decoded from human movement.

Adolescent↗