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PubMed2000

Summary of research issues in personal, interpersonal, and group dynamics.

People working on space missions, whether they are crewmembers or Mission Control personnel, must interact in groups. Consequently, it is important to consider interpersonal and group dynamic issues to assure that mission goals are accomplished. Simulation studies on Earth and anecdotal reports from space have described a number of such issues that include crew heterogeneity, culture and language variations, leadership roles, and personality differences. Problems that can result include increased group tension, decreased cohesion, subgrouping, scapegoating, miscommunication, role confusion, and displacement of tension and dysphoria from one group to another. The three papers by Drs. Caldwell, Kanas, and Stuster that are presented in this session address some of these issues at the group level. They suggest three critical questions related to: 1) improving communication between space crews and Mission Control personnel; 2) dealing with emotional and interpersonal decrements during the second half of space missions; and 3) minimizing the effects of culture and language differences. These questions in turn lead to six research strategies related to: 1) developing and testing new technologies to enhance crew-ground communication; 2) developing tools to recognize important communication themes and the factors that affect them over time; 3) studying the ability of voice analysis technology to detect on-board interpersonal stress; 4) developing and testing countermeasures to deal with second half emotional and interpersonal decrements; 5) studying the effects of cultural and language differences on crew tension, cohesion, and performance; and 6) studying the effects of crew heterogeneity and size on crew tension, cohesion, and performance.

Adult↗
PubMed2004

Absorbed dose of secondary neutrons from galactic cosmic rays inside the International Space Station.

In this paper, we present the results of Monte-Carlo simulations of the flux and energy spectra of neutrons generated as a result of galactic cosmic ray proton interactions with the material of International Space Station (ISS) inside Zvezda Service Module, the Airlock between Russian and USA segments and one of Russian Research Modules for a full configuration of ISS. Calculations were made for ISS orbit for the energy ranges <10 and >10 MeV for both maximum and minimum of solar activity. To test the accuracy of the calculations the same simulations were made for MIR orbital station and for CORONAS-I satellite and compared with the results of measurements. Calculated and measured fluxes are in reasonable agreement.

Cosmic Radiation↗
PubMed2003

Effects of simulated microgravity on closed-loop cardiovascular regulation and orthostatic intolerance: analysis by means of system identification.

Microgravity-induced orthostatic intolerance (OI) continues to be a primary concern for the human space program. To test the hypothesis that exposure to simulated microgravity significantly alters autonomic nervous control and, thus, contributes to increased incidence of OI, we employed the cardiovascular system identification (CSI) technique to evaluate quantitatively parasympathetic and sympathetic regulation of heart rate (HR). The CSI method analyzes second-to-second fluctuations in noninvasively measured HR, arterial blood pressure, and instantaneous lung volume. The coupling mechanisms between these signals are characterized by using a closed-loop model. Parameters reflecting parasympathetic and sympathetic responsiveness with regard to HR regulation can be extracted from the identified coupling mechanisms. We analyzed data collected from 29 human subjects before and after 16 days of head-down-tilt bed rest (simulated microgravity). Statistical analyses showed that parasympathetic and sympathetic responsiveness was impaired by bed rest. A lower sympathetic responsiveness and a higher parasympathetic responsiveness measured before bed rest identified individuals at greater risk of OI before and after bed rest. We propose an algorithm to predict OI after bed rest from measures obtained before bed rest.

Adult↗
PubMed1997

Modeling the crystal morphology of alpha-lactose monohydrate.

Molecular modeling techniques using attachment energy calculations have been applied, for the first time to our knowledge, to simulate the morphology of an organic hydrate: alpha-lactose monohydrate. Calculation of the strong intermolecular forces using the atom-atom approximation and the potential parameters of Nemethy et al. (Némethy, G.; Pottle, M. S.; Scheraga, H. A. J. Phys. Chem. 1983, 87, 1883-1887) reveals the crystallization to be dominated by intermolecular interactions between lactose molecules rather than lactose-water interactions, suggesting that water of hydration plays a space-filling role in the growth process. The simulated crystal shows a tomahawk-like morphology with the polar effect of the monoclinic space group P21 correctly reproduced by the occurrence of only one of the [010] forms. Confrontation of these results with experimental work of our own, involving crystals precipitated from aqueous solutions at various degrees of undercooling examined by scanning electron microscopy, and that of Visser and Bennema (Visser, R. A.; Bennema, P. Neth. Milk Dairy J. 1983, 37,109-137), who assigned faces to a crystal, gives good agreement, suggesting the suitability of the force field and atom-atom approaches to model the crystallization of organic hydrates.

Crystallography, X-Ray↗
PubMed2004

Crucial role of sidewalls in velocity distributions in quasi-two-dimensional granular gases.

Our experiments and three-dimensional molecular dynamics simulations of particles confined to a vertical monolayer by closely spaced frictional walls (sidewalls) yield velocity distributions with non-Gaussian tails and a peak near zero velocity. Simulations with frictionless sidewalls are not peaked. Thus interactions between particles and their containers are an important determinant of the shape of the distribution and should be considered when evaluating experiments on a constrained monolayer of particles.

Journal Article↗
PubMed2002

Energy spectra, angular spread, fluence profiles and dose distributions of 6 and 18 MV photon beams: results of monte carlo simulations for a varian 2100EX accelerator.

The purpose of this study is to provide detailed characteristics of incident photon beams for different field sizes and beam energies. This information is critical to the future development of accurate treatment planning systems. It also enhances our knowledge of radiotherapy photon beams. The EGS4 Monte Carlo code, BEAM, has been used to simulate 6 and 18 MV photon beams from a Varian Clinac-2100EX accelerator. A simulated realistic beam is stored in a phase space data file, which contains details of each particle's complete history including where it has been and where it has interacted. The phase space files are analysed to obtain energy spectra, angular distribution, fluence profile and mean energy profiles at the phantom surface for particles separated according to their charge and history. The accuracy of a simulated beam is validated by the excellent agreement between the Monte Carlo calculated and measured dose distributions. Measured depth-dose curves are obtained from depth-ionization curves by accounting for newly introduced chamber fluence corrections and the stopping-power ratios for realistic beams. The study presents calculated depth-dose components from different particles as well as calculated surface dose and contribution from different particles to surface dose across the field. It is shown that the increase of surface dose with the increase of the field size is mainly due to the increase of incident contaminant charged particles. At 6 MV, the incident charged particles contribute 7% to 21% of maximum dose at the surface when the field size increases from 10 x 10 to 40 x 40 cm2. At 18 MV, their contributions are up to 11% and 29% of maximum dose at the surface for 10 x 10 cm2 and 40 x 40 cm2 fields respectively. However, the fluence of these incident charged particles is less than 1% of incident photon fluence in all cases.

Electrons↗
PubMed2002

Glycosylation of proteins: a computer based method for the rapid exploration of conformational space of N-glycans.

Inspection of protein databases suggests that as many as 70% of proteins have potential N-glycosylation sites. Unfortunately glycoproteins often refuse to crystallize and NMR techniques do not allow an unambiguous determination of the complete conformation of the sugar part. Therefore, time-consuming complex simulation methods are often used to explore the conformational space of N-glycans. The generation of a comprehensive data base describing the conformational space of larger fragments of N-glycans taking into account the effects of branching is presented. High-temperature molecular dynamics simulations of essential N-glycan fragments are performed until conformational equilibrium has been reached. Free energy landscapes are calculated for each glycosidic linkage. All possible conformations for each N-glycan fragment are automatically assigned, ranked according to their relative population and stored in a database. These values are recalled for the generation of a complete set of all possible conformations for a given N-glycan topology. The constructed conformations are ranked according to their energy content. Since this approach allows to explore the complete conformational space of a given N-glycan within a few minutes of CPU-time on a standard PC, it is well suited to be used as a Web-Based application.

Carbohydrate Conformation↗
PubMed2001

[Method of radiotherapy planning for head and neck tumors using simulated CT images and radiographic data, developed at the Gustave Roussy Institute].

The paper deals with the recent improvements introduced in the most usual method applied in the Institut Gustave Roussy radiotherapy department for obtaining the anatomical data of patients treated for head and neck tumors. For each of these patients, five to seven transverses slices and a lateral radiographic film are taken from a Mecaserto simulator-CT. The anatomical representation of the patient sagittal plane is carried out from the digitalisation of the radiographic film on a Vidar Vxr-12 Plus film scanner and integrated into the Dosigray dose calculation programme in order to be used as a support for the laying out of the dose distribution in reference to the treatment. The sagittal anatomical representation obtained from the radiographic film digitalisation is compared with the one resulting from the interpolation between a limited number of irregularly-spaced transverse slices taken on the simulator-CT. The method using the simulator-scanner transverse slices and the radiographic film digitalisation represents an interesting alternative for obtaining an anatomy simulation representative of the patient in hospitals where a scanner is not available full-time for the needs of the radiotherapy process.

Cancer Care Facilities↗
PubMed2001

Development of a model for training and evaluation in subfascial endoscopic perforator surgery (SEPS).

We describe a training method with objective evaluation that enhances video-assisted surgical skills. Training is via a simulator for subfascial endoscopic perforator surgery (SEPS) and can assess whether specific training exercises are helpful in the acquisition of skills for video-assisted surgical techniques. Twenty-five surgeons, with or without experience in video-assisted surgical techniques, were asked to perform standardised drills connected with the SEPS technique. The SEPS simulator consisted of an artificially constructed subfascial space in a leg, in which false perforator veins had to be localised, clipped and cut. The participants performed two sequences of actions three times, in order to improve their dexterity. The time required to perform each sequence was recorded. All trainees showed a steady improvement in skill-acquisition of the SEPS technique; the difference was statistically significant (p < 0.004). Despite its obvious importance in teaching programmes, the assessment and training of technical ability has not been fully developed. If virtual reality simulators are to become more important in the future, simulation models will have to approximate more closely the real operating theatre, and thus will become more valid in the training and evaluation of surgical technique.

Journal Article↗
PubMed2002

Rapid generation of a representative ensemble of N-glycan conformations.

Glycosylated proteins are ubiquitous components of extracellular matrices and cellular surfaces where their oligosaccharide moieties are implicated in a wide range of cell-cell and cell-matrix recognition events. Glycans constitute highly flexible molecules. Only a small number of glycan X-ray structures is available for which sufficient electron density for an entire oligosaccharide chain has been observed. An unambiguous structure determination based on NMR-derived geometric constraints alone is often not possible. Time consuming computational approaches such as Monte Carlo calculations and molecular dynamics simulations have been widely used to explore the conformational space accessible to complex carbohydrates. The generation of a comprehensive data base for N-glycan fragments based on long time molecular dynamics simulations is presented. The fragments are chosen in such a way that the effects of branched N-glycan structures are taken into account. The prediction database constitutes the basis of a procedure to generate a complete set of all possible conformations for a given N-glycan. The constructed conformations are ranked according to their energy content. The resulting conformations are in reasonable agreement with experimental data. A web interface has been established (http://www.dkfz.de/spec/glydict/), which enables to input any N-glycan of interest and to receive an ensemble of generated conformations within a few minutes.

Carbohydrate Conformation↗
PubMed1993

An insert earphone system for delivery of spectrally shaped signals for physiological studies.

Acoustic signals arriving at the eardrum in free-space carry directionally dependent temporal and spectral information resulting from the acoustical effects of the body, head, and external ear as well as from differences in the length of the sound path to each ear. Through analysis of the responses of single auditory neurons, the acoustical and neural mechanisms by which sounds in free-space are localized are being studied. The approach involves simulation of free-field signals at the two eardrums of a cat via earphones and a study of the neuronal responses to such a virtual acoustic space. This approach makes it possible to manipulate different stimulus parameters independently in order to examine their role in determining the spatial characteristics of neuronal response. This report describes an insert earphone system designed for the delivery of such simulated signals which are broadband transients having complex spectra that mimic the acoustic transfer function of the external ear for frequency components up to 30 kHz or more.

Acoustic Stimulation↗
PubMed2006

A proposed alternative to phase-space recycling using the adaptive kernel density estimator method.

We have implemented a nonparametric density estimation technique, the adaptive kernel density estimator (AKDE), to generate additional phase space (PS) variables in the vicinity of simulated PS points in Monte Carlo linear accelerator simulation. The method involves the placement of kernels at simulated PS points that have a "window width" that depends on the density of simulated PS points. This method has been tested on known one-dimensional (1-D) and two-dimensional (2-D) probability density functions (PDFs) and has been used to sample (photons only) from PS files generated from accelerator simulations. The original simulated PS vector (x, y, u, v, E) was reduced to a rotationally invariant PS vector (r, theta, alpha, E) that takes advantage of the azimuthal symmetry (phi) above the collimating jaws. The new PS vector (r', theta', alpha', E') is sampled in the vicinity of the sampled PS vector (r, theta, alpha, E). The first step in assessing the accuracy of the method was a correlation analysis among the AKDE generated PS variables compared with correlations among the original PS variables. "In-air" particle fluence distributions between AKDE samples and the original PS distribution showed agreement within 2% (-8.8% to 6.8%) across the entire phase space plane. Central axis energy distributions and angular distributions agreed on average to within 1.5% (range = -1.5% to 6.6%) and 0.1% (range = 0 to 3.0%), respectively. Dose profiles were calculated for field sizes 3 x 3 cm2, 10 x 10 cm2, and 30 x 30 cm2 for AKDE and compared against calculations performed with PS recycling. AKDE calculated depth doses and profiles were within 2% and 2%/1 mm, respectively, of those computed using PS recycling.

Algorithms↗
PubMed2004

Advances in surface electromyographic signal simulation with analytical and numerical descriptions of the volume conductor.

Surface electromyographic (EMG) signal modelling is important for signal interpretation, testing of processing algorithms, detection system design and didactic purposes. Various surface EMG signal models have been proposed in the literature. This study focuses on the proposal of a method for modelling surface EMG signals, using either analytical or numerical descriptions of the volume conductor for space-invariant systems, and on the development of advanced models of the volume conductor by numerical approaches, accurately describing the volume conductor geometry and the conductivity, as mainly done in the past, but also the conductivity tensor of the muscle tissue. For volume conductors that are space-invariant in the direction of source propagation, the surface potentials generated by any source can be computed by one-dimensional convolutions, once the volume conductor transfer function has been derived (analytically or numerically). Conversely, more complex volume conductors require a complete numerical approach. In a numerical approach, the conductivity tensor of the muscle tissue should be matched with the fibre orientation. In some cases (e.g. multi-pinnate muscles), accurate description of the conductivity tensor can be very complex. A method for relating the conductivity tensor of the muscle tissue, to be used in a numerical approach, to the curve describing the muscle fibres is presented and applied to investigate representatively a bi-pinnate muscle with rectilinear and curvilinear fibres. The study thus proposes an approach for surface EMG signal simulation in space invariant systems, as well as new models of the volume conductor using numerical methods.

Action Potentials↗
PubMed2006

Orbital signatures of methyl in L-alanine.

Molecular orbital signatures of the methyl substituent in L-alanine have been identified with respect to those of glycine from information obtained in coordinate and momentum space, using dual space analysis. Electronic structural information in coordinate space is obtained using ab initio (MP2/TZVP) and density functional theory (B3LYP/TZVP) methods, from which the Dyson orbitals are simulated based on the plane wave impulse approximation into momentum space. In comparison to glycine, relaxation in geometry and valence orbitals in L-alanine is found as a result of the attachment of the methyl group. Five orbitals rather than four orbitals are identified as methyl signatures. That is, orbital 6a in the core shell, orbitals 11a and 12a in the inner valence shell, and orbitals 19a and 20a in the outer valence shell. In the inner valence shell, the attachment of methyl to glycine causes a splitting of its orbital 10a' into orbitals 11a and 12a of L-alanine, whereas in the outer valence shell the methyl group results in an insertion of an additional orbital pair of 19a and 20a. The frontier molecular orbitals, 24a and 23a, are found without any significant role in the methylation of glycine.

Alanine↗
PubMed1999

Simulation of the temporal behavior of soliton propagation in photorefractive media.

We consider the propagation of light beams in photorefractive media in the framework of a (1+1)-dimensional model. The Kukhtarev band transport model is introduced both in a time-dependent differential equation describing the evolution of the space charge field and in a nonlinear wave propagation equation. This latter is then numerically solved with a beam propagation method routine. The evolution in time and space of an initially diffracting laser beam is simulated as a function of initial profiles and waists. The beam is shown to go through a transient overfocused state prior to relaxing to a steady state soliton. Additional features such as the stability condition of the system or effects such as optical branching and soliton interactions are studied.

Journal Article↗
PubMed2005

Cardiac microimpedance measurement in two-dimensional models using multisite interstitial stimulation.

We analyzed central interstitial potential differences during multisite stimulation to assess the feasibility of using those recordings to measure cardiac microimpedances in multidimensional preparations. Because interstitial current injected and removed using electrodes with different proximities allows modulation of the portion of current crossing the membrane, we hypothesized that multisite interstitial stimulation would give rise to central interstitial potential differences that depend on intracellular and interstitial microimpedances, allowing measurement of those microimpedances. Simulations of multisite stimulation with fine and wide spacing in two-dimensional models that included dynamic membrane equations for guinea pig ventricular myocytes were performed to generate test data ( partial differentialphio). Isotropic interstitial and intracellular microimpedances were prescribed for one set of simulations, and anisotropic microimpedances with unequal ratios (intracellular to interstitial) along and across fibers were prescribed for another set of simulations. Microimpedance measurements were then obtained by making statistical comparisons between partial differentialphio values and interstitial potential differences from passive bidomain simulations (Deltaphio) in which a wide range of possible microimpedances were considered. Possible microimpedances were selected at 25% increments. After demonstrating the effectiveness of the overall method with microimpedance measurements using one-dimensional test data, we showed microimpedance measurements within 25% of prescribed values in isotropic and anisotropic models. Our findings suggest that development of microfabricated devices to implement the procedure would facilitate routine measurement as a component of cardiac electrophysiological study.

Animals↗
PubMed1976

Human tolerance to acceleration after exposure to weightlessness.

The major role in the genesis of varying human tolerance to decelerations that follow weightlessness is evidently played by hypodynamic and hydrostatic factors. Long disuse of compensatory antigravity mechanisms in weightlessness may bring about their deconditioning and reduction of their functional capabilities, and may finally affect general tolerance of crewmembers to decelerations. Laboratory experiments demonstrated changes in the human tolerance to Gx accelerations of varying duration (from 3 to 100 days) and tested the efficacy of different countermeasures. A decrease in the human tolerance to +Gx is on the average -2.0g. It should be noted that an elongation of simulated weightlessness (from 7 to 100 days) caused no further decrease in the +Gx tolerance. Our investigations helped to assess the threshold of human tolerance to accelerations after an exposure to simulated weightlessness and to delineate the value of real risk. The tolerance limit to +Gx accelerations which followed simulated weightlessness of the above duration ranged from 9.5 to 13.0g, averaging 11.6 +/- 1.6g. The information on the tolerance of Soviet and American astronauts to decelerations shown during re-entry in real space flights give support to the laboratory results and predictions.

Acceleration↗