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PubMedDate not supplied

Human interactions in space: results from Shuttle/Mir.

BACKGROUND: Anecdotal reports from space and results from simulation studies on Earth have suggested that space crewmembers may experience decrements in their interpersonal environment over time and may displace tension and dysphoria to mission control personnel. METHODS: To evaluate these issues, we studied 5 American astronauts, 8 Russian cosmonauts, and 42 American and 16 Russian mission control personnel who participated in the Shuttle/Mir space program. Subjects completed questions from subscales of the Profile of Mood States, the Group Environment Scale, and the Work Environment Scale on a weekly basis before, during, and after the missions. RESULTS: Among the crewmembers, there was little evidence for significant time effects based on triphasic (U-shaped) or linear models for the 21 subscales tested, although the presence of an initial novelty effect that declined over time was found in three subscales for the astronauts. Compared with work groups on Earth, the crewmembers reported less dysphoria and perceived their crew environment as more constraining, cohesive, and guided by leadership. There was no change in ratings of mood and interpersonal environment before, during, and after the missions. CONCLUSIONS: There was little support for the presence of a moderate to strong time effect that influenced the space crews. Crewmembers perceived their work environment differently from people on Earth, and they demonstrated equanimity in mood and group perceptions, both in space and on the ground. Grant numbers: NAS9-19411.

Adaptation, Psychological↗
PubMed2004

Monte Carlo simulations in generalized isobaric-isothermal ensembles.

We present three generalized isobaric-isothermal ensemble Monte Carlo algorithms, which we refer to as the multibaric-multithermal, multibaric-isothermal, and isobaric-multithermal algorithms. These Monte Carlo simulations perform random walks widely in volume space and/or in potential energy space. From only one simulation run, one can calculate isobaric-isothermal-ensemble averages in wide ranges of pressure and temperature. We demonstrate the effectiveness of these algorithms by applying them to the Lennard-Jones 12-6 potential system with 500 particles.

Journal Article↗
PubMed2001

Crewmember and ground personnel interactions over time during Shuttle/Mir space missions.

BACKGROUND: Anecdotal reports from space and results from simulation studies on Earth have suggested that space crewmembers may experience decrements in their mood and interpersonal environment during the 2nd half of the mission and that negative emotions may be displaced to outside monitoring personnel. METHODS: To evaluate these issues, we studied 5 American astronauts, 8 Russian cosmonauts, and 42 American and 16 Russian mission control personnel who participated in the Shuttle/Mir space program. Subjects completed questions from the Profile of Mood States, the Group Environment Scale (GES), and the Work Environment Scale (WES) on a weekly basis during the missions. Subscale scores from these measures were analyzed using a piecewise linear regression approach that analyzed normally distributed subscales using a mixed model and non-normally distributed subscales by dichotomizing the variables and using a generalized estimating equation. RESULTS: After protecting against possible Type I errors due to multiple significance tests, only weak support was found for the biphasic model: the only significant findings in favor of the hypothesized 2nd half decrements in the interpersonal environment were in crewmember GES Leader Support and astronaut WES Work Pressure. Strongly consistent confirmation was found on all six tested measures for the hypothesized displacement of tension and dysphoria from crewmembers to mission control personnel. The hypothesized displacement of tension and dysphoria from mission control personnel to management was found on five of the six tested measures. CONCLUSIONS: The absence of moderate to strong support for the biphasic model suggests that crewmember interpersonal functioning does not depend appreciably on 1st half/2nd half time effects. The consistent support found for the displacement of tension and dysphoria suggests that countermeasures need to be developed to deal with this phenomenon in both crewmembers and mission control personnel.

Astronauts↗
PubMed2006

Charge structure and counterion distribution in hexagonal DNA liquid crystal.

A hexagonal liquid crystal of DNA fragments (double-stranded, 150 basepairs) with tetramethylammonium (TMA) counterions was investigated with small angle neutron scattering (SANS). We obtained the structure factors pertaining to the DNA and counterion density correlations with contrast matching in the water. Molecular dynamics (MD) computer simulation of a hexagonal assembly of nine DNA molecules showed that the inter-DNA distance fluctuates with a correlation time around 2 ns and a standard deviation of 8.5% of the interaxial spacing. The MD simulation also showed a minimal effect of the fluctuations in inter-DNA distance on the radial counterion density profile and significant penetration of the grooves by TMA. The radial density profile of the counterions was also obtained from a Monte Carlo (MC) computer simulation of a hexagonal array of charged rods with fixed interaxial spacing. Strong ordering of the counterions between the DNA molecules and the absence of charge fluctuations at longer wavelengths was shown by the SANS number and charge structure factors. The DNA-counterion and counterion structure factors are interpreted with the correlation functions derived from the Poisson-Boltzmann equation, MD, and MC simulation. Best agreement is observed between the experimental structure factors and the prediction based on the Poisson-Boltzmann equation and/or MC simulation. The SANS results show that TMA is too large to penetrate the grooves to a significant extent, in contrast to what is shown by MD simulation.

Computer Simulation↗
PubMed1994

Optimal sequence selection in proteins of known structure by simulated evolution.

Rational design of protein structure requires the identification of optimal sequences to carry out a particular function within a given backbone structure. A general solution to this problem requires that a potential function describing the energy of the system as a function of its atomic coordinates be minimized simultaneously over all available sequences and their three-dimensional atomic configurations. Here we present a method that explicitly minimizes a semiempirical potential function simultaneously in these two spaces, using a simulated annealing approach. The method takes the fixed three-dimensional coordinates of a protein backbone and stochastically generates possible sequences through the introduction of random mutations. The corresponding three-dimensional coordinates are constructed for each sequence by "redecorating" the backbone coordinates of the original structure with the corresponding side chains. These are then allowed to vary in their structure by random rotations around free torsional angles to generate a stochastic walk in configurational space. We have named this method protein simulated evolution, because, in loose analogy with natural selection, it randomly selects for allowed solutions in the sequence of a protein subject to the "selective pressure" of a potential function. Energies predicted by this method for sequences of a small group of residues in the hydrophobic core of the phage lambda cI repressor correlate well with experimentally determined biological activities. This "genetic selection by computer" approach has potential applications in protein engineering, rational protein design, and structure-based drug discovery.

Algorithms↗
PubMed2000

A study of orientation in a zero gravity environment by means of virtual reality simulation.

When the International Space Station (ISS) is completed and starts its operation, crew members will be stationed for three months or more in orbit aboard the ISS. As they stay longer in the space environment, "habitability" for them will become most important in the design of the interior space. One of the problems about habitability in a zero gravity (0 G) environment is disorientation. Crew members have difficulty in discriminating between "up" and "down" and more serious disorientations may cause space motion sickness. Crew members rely on visual perception to orient themselves because they can't use their sense of equilibrium in a 0 G environment. Although color and the direction of equipment of Space Shuttles or modules has been considered, no systematic study has been conducted on interior space. This study intended to clarify how people acquire visual information and recognize their orientation in a 0 G environment by an experiment in which a subject wears a head-mounted display (HMD) and enters a virtual weightless state represented by computer graphics (CG). Visual information of a room and the degree-of-freedom of motion were varied to examine the influence of the conditions on such a simple task as movement through several connected modules, and the performance and the behavior of each subject were investigated.

Humans↗
PubMed2005

Molecular dynamics simulation study of the role of evenly spaced poly(ethylene oxide) tethers on the aggregation of C60 fullerenes in water.

The aggregation behavior of C60 fullerenes and C60 fullerenes with six symmetrically tethered poly(ethylene oxide) oligomers [(PEO)-6-C60] in aqueous solutions has been studied using implicit solvent molecular dynamics simulations. Our simulations reveal that while the attraction between two (PEO)-6-C60 fullerenes in aqueous solution is stronger and longer range than that between two bare C60 fullerenes, the (PEO)-6-C60 fullerenes do not phase-separate in water but rather aggregate in chain-like clusters at concentrations where unmodified fullerenes completely phase-separate.

Letter↗
PubMed1999

Memory processes and motor control in extreme environments.

Cognitive-performance and motor-performance activities in multi-task, high-workload environments were assessed during astronaut performance in space flight and in isolation. Data was collected in microgravity on the International Micro-gravity Laboratory (IML) space shuttle mission (STS-42), and the Canadian Astronaut Program Space Unit Life Simulation (CAPSULS) mission offered an ideal opportunity to collect data for individuals in extreme isolation to complement the space flight data using similar hardware, software, and experimental protocols. The mental workload and performance experiment (MWPE) was performed during the IML-1 space flight mission, and the memory processes and motor control (MEMO) experiment was performed during the CAPSULS isolation mission. In both experiments, short-term exhaustive memory and fine motor control associated with human-computer interaction was studied. Memory processes were assessed using a Sternberg-like exhaustive memory search containing 1, 2, 4, or 7 letters. Fine motor control was assessed using velocity-controlled (joystick) and position-controlled (trackball) computer input devices to acquire targets as displayed on a computer screen. Subjects repeated the tasks under two conditions that tested perceptual motor adaptation strategies: 1) During adaptation to the microgravity environment; and 2) While wearing left-right reversing prism goggles during the CAPSULS mission. Both conditions significantly degraded motor performance but not cognitive performance. The data collected during both the MEMO experiment and the MWPE experiments enhance the knowledge base of human interface technology for human performance in extreme environments.

Adaptation, Psychological↗
PubMedDate not supplied

Psychophysiological monitoring under conditions of real and simulated microgravity.

Dynamics of indices characterizing the process of adaptation of operators to complicated conditions of vital activity was studied with psychophysiological monitoring. This technique is based on the complex analysis of subjective and objective estimations of the current psychoemotional state and physiological and biochemical indices. We analyzed the data obtained during the examination of three healthy volunteers, who participated in the HUBES experiment (135-day isolation in the ground-based model of the orbital station "Mir"), and during a biorhythmological study conducted by six Russian cosmonauts of the main expeditions on the station "Mir." It was shown that psychophysiological monitoring is an informative method for studying different parameters of the operator's state and regulatory processes, the dynamics of biological rhythms, and individual characteristics of adaptation. By means of the analysis of a population of the variation in the characteristics of the parameters under study the experimental period of isolation was divided into three stages. The first and third stages were characterized by a relatively high variability, which was minimized at the second stage. The phasic character of the adaptation processes with a phase duration of about 60 days was revealed and a correlation was shown between the dynamics of parameters obtained by means of psychophysiological monitoring and specific features of the system regulation in different phases of the space flight and its simulation. It is suggested that the phases of the minimal variability of the studied characteristics are related to the periods of the minimal reliability of an operator's work. [Translated from Fiziologiya Cheloveka, vol. 25, no. 5, 1999 Sep-Oct, p. 86-91]

Adaptation, Physiological↗
PubMed2001

Towards a dynamical approach for the simulation of large scale, cancer correlated chromatin structures.

To understand the influence of geometrical constraints in the spatial distribution of cancer correlated "Double Minute chromosomes (DMs)" in human cell nuclei, we applied computer simulations of the nuclear 3D structure in combination with a voxel based segmentation algorithm. With this approach we determined the overlap volumes and intensities of the DMs with the chromatin free space in the simulated nucleus. For this purpose, beginning from a start configuration, simulated linear chromosome chains together with the DMs were relaxed according to the Monte Carlo process. The simulations predict a preferential positioning of DMs within the "peripheral" "Inter Chromatin Domain (ICD)" space.

Algorithms↗
PubMed1992

Cardiac propagation simulation.

We have completed a range of membrane-based simulations of action potential propagation in two- and three-dimensional models of ventricular myocardium. The two-dimensional simulations included a bidomain representation of the myocardium which explicitly characterized the component volume conductors in the intracellular, interstitial, and extracellular spaces. With these simulations, we studied the contribution of the extracellular volume conductor to transmural myocardial propagation during depolarization. We also used two-dimensional bidomain simulations to study the effect of the interstitial volume conductor in the setting of planar myocardial depolarization with nominal and extreme tissue conductivities. Our three-dimensional simulations included a monodomain representation of the myocardium which characterized the three component volume conductors as a single lumped conductor. With these simulations, we examined the effects of the intramural rotation of the fiber axes on the timing and pattern of activation. To achieve practical solution times, we extended numerical techniques from previous reports and developed a range of new techniques applicable to this class of problems. Simulations of the depolarization wavefront used the nonlinear Ebihara and Johnson membrane equations for the fast sodium current as the membrane model. Simulations of the full action potential cycle combined the Ebihara and Johnson fast sodium current with the Beeler and Reuter membrane equations. Our results demonstrated that the individual volume conductors and the rotation of fiber axes have unique and identifiable consequences on the electrical activation in models of ventricular myocardium.

Action Potentials↗
PubMed1995

Monte Carlo simulation of the biological effects of boron neutron capture irradiation with d(14)+Be neutrons in vitro.

It was shown that radiation effects in tumor cells treated with fast neutrons may be increased by the neutron capture reaction 10B(n, alpha)7Li. The classic approach for macroscopic dosimetry in fast-neutron therapy cannot be applied to the dose in boron neutron capture therapy (BNCT). The effectiveness of BNCT in killing tumor cells depends on the number of 10B atoms delivered to the tumor, the subcellular distribution of 10B and the thermal neutron fluence at the site of the tumor. Monte Carlo calculations of the energy depositions of short-range particles with high LET coming from 10B disintegrations were performed and compared to the observed biological effects. The simulation allows us to study the influence of the localization of intracellular 10B in the nucleus, cytoplasma, plasma membrane or extracellular space. The biological response function which describes the probability of the lethal effect produced by a single particle track through the cell nucleus was found by comparing the calculated microscopic dose distribution spectra for single events with the survival observed experimentally. Calculations for a human melanoma cell population treated as a monolayer in the presence or absence of boron with d(14)+Be neutrons will be demonstrated. Two different boron compounds enriched in 10B were investigated in this study: boric acid (H3 10BO3) and p-dihydroxyboryl phenylalanine (BPA). The study shows that a high fraction of BPA enters the cytoplasm while boric acid was found only in the extracellular space. The computer simulations indicate that BPA yields a higher potential effectiveness for inactivation of melanoma cells than boric acid.

Boron Neutron Capture Therapy↗
PubMed1997

Computerized simulation of color appearance for dichromats.

We propose an algorithm that transforms a digitized color image so as to simulate for normal observers the appearance of the image for people who have dichromatic forms of color blindness. The dichromat's color confusions are deduced from colorimetry, and the residual hues in the transformed image are derived from the reports of unilateral dichromats described in the literature. We represent color stimuli as vectors in a three-dimensional LMS space, and the simulation algorithm is expressed in terms of transformations of this space. The algorithm replaces each stimulus by its projection onto a reduced stimulus surface. This surface is defined by a neutral axis and by the LMS locations of those monochromatic stimuli that are perceived as the same hue by normal trichromats and a given type of dichromat. These monochromatic stimuli were a yellow of 575 nm and a blue of 475 nm for the protan and deutan simulations, and a red of 660 nm and a blue-green of 485 nm for the tritan simulation. The operation of the algorithm is demonstrated with a mosaic of square color patches. A protanope and a deuteranope accepted the match between the original and the appropriate image, confirming that the reduction is colorimetrically accurate. Although we can never be certain of another's sensations, the simulation provides a means of quantifying and illustrating the residual color information available to dichromats in any digitized image.

Algorithms↗
PubMed2005

Coarse-grained models for proteins.

Coarse-grained models for proteins and biomolecular aggregates have recently enjoyed renewed interest. Coarse-grained representations combined with enhanced computer power currently allow the simulation of systems of biologically relevant size (submicrometric) and timescale (microsecond or millisecond). Although these techniques still cannot be considered as predictive as all-atom simulations, noticeable advances have recently been achieved, mainly concerning the use of more rigorous parameterization techniques and novel algorithms for sampling configurational space. Moreover, the simulation size scales and timescales coincide with those that can be reached with the most advanced spectroscopic techniques, making it possible to directly compare simulation and experiment.

Algorithms↗
PubMed1993

Evolutionary games and computer simulations.

The Prisoner's Dilemma has long been considered the paradigm for studying the emergence of cooperation among selfish individuals. Because of its importance, it has been studied through computer experiments as well as in the laboratory and by analytical means. However, there are important differences between the way a system composed of many interacting elements is simulated by a digital machine and the manner in which it behaves when studied in real experiments. In some instances, these disparities can be marked enough so as to cast doubt on the implications of cellular automata-type simulations for the study of cooperation in social systems. In particular, if such a simulation imposes space-time granularity, then its ability to describe the real world may be compromised. Indeed, we show that the results of digital simulations regarding territoriality and cooperation differ greatly when time is discrete as opposed to continuous.

Animals↗
PubMed1994

Effects of 5 weeks of lower limb suspension on muscle size and strength.

Lack of weight-bearing, as occurs in space, appears to be associated with reductions in strength and mass of skeletal muscle. Very limited data, however, is at hand describing changes in skeletal muscle size and function following manned space missions. Our current knowledge therefore is mainly based on studies of space flown rats. It is obvious though that this information, only in part can be extrapolated to humans. A few bed rest studies have demonstrated that decreases in strength and muscle size are substantial. At this time, however, the magnitude or time course of such changes either in response to space flight or simulations of microgravity have not been defined. In the last few years we have employed a human model to simulate unloading of lower limb skeletal muscles that occurs in microgravity. This model was essentially adopted from the rat hindlimb suspension technique. The purpose of this study was to assess the magnitude of decreases in muscle strength and size as a result of five weeks of unilateral lower limb suspension.

Adaptation, Physiological↗
PubMed2000

Molecular dynamics of the anticodon domain of yeast tRNA(Phe): codon-anticodon interaction.

We have studied the effect of codon-anticodon interaction on the structure and dynamics of transfer RNAs using molecular dynamics simulations over a nanosecond time scale. From our molecular dynamical investigations of the solvated anticodon domain of yeast tRNA(Phe) in the presence and absence of the codon trinucleotides UUC and UUU, we find that, although at a gross level the structures are quite similar for the free and the bound domains, there are small but distinct differences in certain parts of the molecule, notably near the Y37 base. Comparison of the dynamics in terms of interatomic or inter-residual distance fluctuation for the free and the bound domains showed regions of enhanced rigidity in the loop region in the presence of codons. Because fluorescence experiments suggested the existence of multiple conformers of the anticodon domain, which interconvert on a much larger time scale than our simulations, we probed the conformational space using five independent trajectories of 500 ps duration. A generalized ergodic measure analysis of the trajectories revealed that at least for this time scale, all the trajectories populated separate parts of the conformational space, indicating a need for even longer simulations or enhanced sampling of the conformational space to give an unequivocal answer to this question.

Anticodon↗
PubMed2003

[Graviresponse in higher plants and its regulation in molecular bases: relevance to growth and development, and auxin polar transport in etiolated pea seedlings].

We review the graviresponse under true and simulated microgravity conditions on a clinostat in higher plants, and its regulation in molecular bases, especially on the aspect of auxin polar transport in etiolated pea (Pisum sativum L. cv. Alaska) seedlings which were the plant materials subjected to STS-95 space experiments. True and simulated microgravity conditions substantially affected growth and development in etiolated pea seedlings, especially the direction of growth of stems and roots, resulting in automorphosis. In etiolated pea seedlings grown in space, epicotyls were the most oriented toward the direction far from the cotyledons, and roots grew toward the aerial space of Plant Growth Chamber. Automorphosis observed in space were well simulated by a clinorotation on a 3-dimensional clinostat and also phenocopied by the application of auxin polar transport inhibitors of 2,3,5-triiodobenzoic acid, N-(1-naphtyl)phthalamic acid and 9-hydroxyfluorene-9-carboxylic acid. Judging from the results described above together with the fact that activities of auxin polar transport in epicotyls of etiolated pea seedlings grown in space substantially were reduced, auxin polar transport seems to be closely related to automorphosis. Strenuous efforts to learn in molecular levels how gravity contributes to the auxin polar transport in etiolated pea epicotyls resulted in successful identification of PsPIN2 and PsAUX1 genes located in plasma membrane which products are considered to be putative efflux and influx carriers of auxin, respectively. Based on the results of expression of PsPIN2 and PsAUX1 genes under various gravistimulations, a possible role of PsPIN2 and PsAUX1 genes for auxin polar transport in etiolated pea seedlings will be discussed.

Biological Transport↗