Results for “biophysical simulations” — Page 4

NASA NTRS2001

Monte Carlo track structure for radiation biology and space applications

Over the past two decades event by event Monte Carlo track structure codes have increasingly been used for biophysical modelling and radiotherapy. Advent of these codes has helped to shed light on many aspects of microdosimetry and mechanism of damage by ionising radiation in the cell. These codes have continuously been modified to include new improved cross sections and computational techniques. This paper provides a summary of input data for ionizations, excitations and elastic scattering cross sections for event by event Monte Carlo track structure simulations for electrons and ions in the form of parametric equations, which makes it easy to reproduce the data. Stopping power and radial distribution of dose are presented for ions and compared with experimental data. A model is described for simulation of full slowing down of proton tracks in water in the range 1 keV to 1 MeV. Modelling and calculations are presented for the response of a TEPC proportional counter irradiated with 5 MeV alpha-particles. Distributions are presented for the wall and wall-less counters. Data shows contribution of indirect effects to the lineal energy distribution for the wall counters responses even at such a low ion energy.

NASA Center JSC↗

NASA NTRS1992

Biophysical, morphological, canopy optical property, and productivity data from the Superior National Forest

Described here are the results of a NASA field experiment conducted in the Superior National Forest near Ely, Minnesota, during the summers of 1983 and 1984. The purpose of the experiment was to examine the use of remote sensing to provide measurements of biophysical parameters in the boreal forests. Leaf area index, biomass, net primary productivity, canopy coverage, overstory and understory species composition data are reported for about 60 sites, representing a range of stand density and age for aspen and spruce. Leaf, needle, and bark high-resolution spectral reflectance and transmittance data are reported for the major boreal forest species. Canopy bidirectional reflectance measurements are provided from a helicopter-mounted Barnes Multiband Modular Radiometer (MMR) and the Thematic Mapper Simulator (TMS) on the NASA C-130 aircraft.

Hall, F. G.↗

NASA NTRS2008

Sensitivity of June Near-Surface Temperatures and Precipitation in the Eastern United States to Historical Land Cover Changes Since European Settlement

Land cover changes alter the near surface weather and climate. Changes in land surface properties such as albedo, roughness length, stomatal resistance, and leaf area index alter the surface energy balance, leading to differences in near surface temperatures. This study utilized a newly developed land cover data set for the eastern United States to examine the influence of historical land cover change on June temperatures and precipitation. The new data set contains representations of the land cover and associated biophysical parameters for 1650, 1850, 1920, and 1992, capturing the clearing of the forest and the expansion of agriculture over the eastern United States from 1650 to the early twentieth century and the subsequent forest regrowth. The data set also includes the inferred distribution of potentially water-saturated soils at each time slice for use in the sensitivity tests. The Regional Atmospheric Modeling System, equipped with the Land Ecosystem-Atmosphere Feedback (LEAF-2) land surface parameterization, was used to simulate the weather of June 1996 using the 1992, 1920, 1850, and 1650 land cover representations. The results suggest that changes in surface roughness and stomatal resistance have caused present-day maximum and minimum temperatures in the eastern United States to warm by about 0.3 C and 0.4 C, respectively, when compared to values in 1650. In contrast, the maximum temperatures have remained about the same, while the minimums have cooled by about 0.1 C when compared to 1920. Little change in precipitation was found.

Strack, John E.↗

NASA NTRS2013

The CACAO Method for Smoothing, Gap Filling, and Characterizing Seasonal Anomalies in Satellite Time Series

Consistent, continuous, and long time series of global biophysical variables derived from satellite data are required for global change research. A novel climatology fitting approach called CACAO (Consistent Adjustment of the Climatology to Actual Observations) is proposed to reduce noise and fill gaps in time series by scaling and shifting the seasonal climatological patterns to the actual observations. The shift and scale CACAO parameters adjusted for each season allow quantifying shifts in the timing of seasonal phenology and inter-annual variations in magnitude as compared to the average climatology. CACAO was assessed first over simulated daily Leaf Area Index (LAI) time series with varying fractions of missing data and noise. Then, performances were analyzed over actual satellite LAI products derived from AVHRR Long-Term Data Record for the 1981-2000 period over the BELMANIP2 globally representative sample of sites. Comparison with two widely used temporal filtering methods-the asymmetric Gaussian (AG) model and the Savitzky-Golay (SG) filter as implemented in TIMESAT-revealed that CACAO achieved better performances for smoothing AVHRR time series characterized by high level of noise and frequent missing observations. The resulting smoothed time series captures well the vegetation dynamics and shows no gaps as compared to the 50-60% of still missing data after AG or SG reconstructions. Results of simulation experiments as well as confrontation with actual AVHRR time series indicate that the proposed CACAO method is more robust to noise and missing data than AG and SG methods for phenology extraction.

LAI↗

NASA NTRS2015

Free-Energy Calculations. A Mathematical Perspective

Ion channels are pore-forming assemblies of transmembrane proteins that mediate and regulate ion transport through cell walls. They are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses. They are also essential to cardiac processes, muscle contraction and epithelial transport. Ion channels from lower organisms can act as toxins or antimicrobial agents, and in a number of cases are involved in infectious diseases. Because of their important and diverse biological functions they are frequent targets of drug action. Also, simple natural or synthetic channels find numerous applications in biotechnology. For these reasons, studies of ion channels are at the forefront of biophysics, structural biology and cellular biology. In the last decade, the increased availability of X-ray structures has greatly advanced our understanding of ion channels. However, their mechanism of action remains elusive. This is because, in order to assist controlled ion transport, ion channels are dynamic by nature, but X-ray crystallography captures the channel in a single, sometimes non-native state. To explain how ion channels work, X-ray structures have to be supplemented with dynamic information. In principle, molecular dynamics (MD) simulations can aid in providing this information, as this is precisely what MD has been designed to do. However, MD simulations suffer from their own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. To assess the reliability of MD simulations it is only natural to turn to the main function of channels - conducting ions - and compare calculated ionic conductance with electrophysiological data, mainly single channel recordings, obtained under similar conditions. If this comparison is satisfactory it would greatly increase our confidence that both the structures and our computational methodologies are sufficiently accurate. Channel conductance, defined as the ratio of ionic current through the channel to applied voltage, can be calculated in MD simulations by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. If the current is small, a voltage significantly higher than the experimental one needs to be applied to collect sufficient statistics of ion crossing events. Then, the calculated conductance has to be extrapolated to the experimental voltage using procedures of unknown accuracy. Instead, we propose an alternative approach that applies if ion transport through channels can be described with sufficient accuracy by the one-dimensional diffusion equation in the potential given by the free energy profile and applied voltage. Then, it is possible to test the assumptions of the equation, recover the full voltage/current dependence, determine the reliability of the calculated conductance and reconstruct the underlying (equilibrium) free energy profile, all from MD simulations at a single voltage. We will present the underlying theory, model calculations that test this theory and simulations on ion conductance through a channel that has been extensively studied experimentally. To our knowledge this is the first case in which the complete, experimentally measured dependence of the current on applied voltage has been reconstructed from MD simulations.

free energy↗

NASA NTRS1981

Benefits of detailed models of muscle activation and mechanics

Recent biophysical and physiological studies identified some of the detailed mechanisms involved in excitation-contraction coupling, muscle contraction, and deactivation. Mathematical models incorporating these mechanisms allow independent estimates of key parameters, direct interplay between basic muscle research and the study of motor control, and realistic model behaviors, some of which are not accessible to previous, simpler, models. The existence of previously unmodeled behaviors has important implications for strategies of motor control and identification of neural signals. New developments in the analysis of differential equations make the more detailed models feasible for simulation in realistic experimental situations.

Lehman, S. L.↗

NASA NTRS2005

Managing Space Radiation Risks On Lunar and Mars Missions: Risk Assessment and Mitigation

Radiation-induced health risks are a primary concern for human exploration outside the Earth's magnetosphere, and require improved approaches to risk estimation and tools for mitigation including shielding and biological countermeasures. Solar proton events are the major concern for short-term lunar missions (<60 d), and for long-term missions (>60 d) such as Mars exploration, the exposures to the high energy and charge (HZE) ions that make-up the galactic cosmic rays are the major concern. Health risks from radiation exposure are chronic risks including carcinogenesis and degenerative tissue risks, central nervous system effects, and acute risk such as radiation sickness or early lethality. The current estimate is that a more than four-fold uncertainty exists in the projection of lifetime mortality risk from cosmic rays, which severely limits analysis of possible benefits of shielding or biological countermeasure designs. Uncertainties in risk projections are largely due to insufficient knowledge of HZE ion radiobiology, which has led NASA to develop a unique probabilistic approach to radiation protection. We review NASA's approach to radiation risk assessment including its impact on astronaut dose limits and application of the ALARA (As Low as Reasonably Achievable) principle. The recently opened NASA Space Radiation Laboratory (NSRL) provides the capability to simulate the cosmic rays in controlled ground-based experiments with biological and shielding models. We discuss how research at NSRL will lead to reductions in the uncertainties in risk projection models. In developing mission designs, the reduction of health risks and mission constraints including costs are competing concerns that need to be addressed through optimization procedures. Mitigating the risks from space radiation is a multi-factorial problem involving individual factors (age, gender, genetic makeup, and exposure history), operational factors (planetary destination, mission length, and period in the solar cycle), and shielding characteristics (materials, mass, and topology). We review optimization metrics for radiation protection including scenarios that integrate biophysics models of radiation risks, operational variables, and shielding design tools needed to assess exploration mission designs. We discuss the application of a crosscutting metric, based on probabilistic risk assessment, to lunar and Mars mission trade studies including the assessment of multi-factorial problems and the potential benefits of new radiation health research strategies or mitigation technologies.

Cucinotta, F. A.↗

NASA NTRS2005

Managing Space Radiation Risks on Lunar and Mars Missions: Risk Assessment and Mitigation

Radiation-induced health risks are a primary concern for human exploration outside the Earth's magnetosphere, and require improved approaches to risk estimation and tools for mitigation including shielding and biological countermeasures. Solar proton events are the major concern for short-term lunar missions (<60 d), and for long-term missions (>60 d) such as Mars exploration, the exposures to the high energy and charge (HZE) ions that make-up the galactic cosmic rays are the major concern. Health risks from radiation exposure are chronic risks including carcinogenesis and degenerative tissue risks, central nervous system effects, and acute risk such as radiation sickness or early lethality. The current estimate is that a more than four-fold uncertainty exists in the projection of lifetime mortality risk from cosmic rays, which severely limits analysis of possible benefits of shielding or biological countermeasure designs. Uncertainties in risk projections are largely due to insufficient knowledge of HZE ion radiobiology, which has led NASA to develop a unique probabilistic approach to radiation protection. We review NASA's approach to radiation risk assessment including its impact on astronaut dose limits and application of the ALARA (As Low as Reasonably Achievable) principle. The recently opened NASA Space Radiation Laboratory (NSRL) provides the capability to simulate the cosmic rays in controlled ground-based experiments with biological and shielding models. We discuss how research at NSRL will lead to reductions in the uncertainties in risk projection models. In developing mission designs, the reduction of health risks and mission constraints including costs are competing concerns that need to be addressed through optimization procedures. Mitigating the risks from space radiation is a multi-factorial problem involving individual factors (age, gender, genetic makeup, and exposure history), operational factors (planetary destination, mission length, and period in the solar cycle), and shielding characteristics (materials, mass, and topology). We review optimization metrics for radiation protection including scenarios that integrate biophysics models of radiation risks, operational variables, and shielding design tools needed to assess exploration mission designs. We discuss the application of a crosscutting metric, based on probabilistic risk assessment, to lunar and Mars mission trade studies including the assessment of multi-factorial problems and the potential benefits of new radiation health research strategies or mitigation technologies.

Cucinotta, F. A.↗

NASA NTRS2006

Managing Space Radiation Risks on Lunar and Mars Missions: Risk Assessment and Mitigation

Radiation-induced health risks are a primary concern for human exploration outside the Earth's magnetosphere, and require improved approaches to risk estimation and tools for mitigation including shielding and biological countermeasures. Solar proton events are the major concern for short-term lunar missions (<60 d), and for long-term missions (>60 d) such as Mars exploration, the exposures to the high energy and charge (HZE) ions that make-up the galactic cosmic rays are the major concern. Health risks from radiation exposure are chronic risks including carcinogenesis and degenerative tissue risks, central nervous system effects, and acute risk such as radiation sickness or early lethality. The current estimate is that a more than four-fold uncertainty exists in the projection of lifetime mortality risk from cosmic rays, which severely limits analysis of possible benefits of shielding or biological countermeasure designs. Uncertainties in risk projections are largely due to insufficient knowledge of HZE ion radiobiology, which has led NASA to develop a unique probabilistic approach to radiation protection. We review NASA's approach to radiation risk assessment including its impact on astronaut dose limits and application of the ALARA (As Low as Reasonably Achievable) principle. The recently opened NASA Space Radiation Laboratory (NSRL) provides the capability to simulate the cosmic rays in controlled ground-based experiments with biological and shielding models. We discuss how research at NSRL will lead to reductions in the uncertainties in risk projection models. In developing mission designs, the reduction of health risks and mission constraints including costs are competing concerns that need to be addressed through optimization procedures. Mitigating the risks from space radiation is a multi-factorial problem involving individual factors (age, gender, genetic makeup, and exposure history), operational factors (planetary destination, mission length, and period in the solar cycle), and shielding characteristics (materials, mass, and topology). We review optimization metrics for radiation protection including scenarios that integrate biophysics models of radiation risks, operational variables, and shielding design tools needed to assess exploration mission designs. We discuss the application of a crosscutting metric, based on probabilistic risk assessment, to lunar and Mars mission trade studies including the assessment of multi-factorial problems and the potential benefits of new radiation health research strategies or mitigation technologies.

Cucinotta, F. A.↗

NASA NTRS2012

Performance Considerations for the SIMPL Single Photon, Polarimetric, Two-Color Laser Altimeter as Applied to Measurements of Forest Canopy Structure and Composition

The Slope Imaging Multi-polarization Photon-counting Lidar (SIMPL) is a multi-beam, micropulse airborne laser altimeter that acquires active and passive polarimetric optical remote sensing measurements at visible and near-infrared wavelengths. SIMPL was developed to demonstrate advanced measurement approaches of potential benefit for improved, more efficient spaceflight laser altimeter missions. SIMPL data have been acquired for wide diversity of forest types in the summers of 2010 and 2011 in order to assess the potential of its novel capabilities for characterization of vegetation structure and composition. On each of its four beams SIMPL provides highly-resolved measurements of forest canopy structure by detecting single-photons with 15 cm ranging precision using a narrow-beam system operating at a laser repetition rate of 11 kHz. Associated with that ranging data SIMPL provides eight amplitude parameters per beam unlike the single amplitude provided by typical laser altimeters. Those eight parameters are received energy that is parallel and perpendicular to that of the plane-polarized transmit pulse at 532 nm (green) and 1064 nm (near IR), for both the active laser backscatter retro-reflectance and the passive solar bi-directional reflectance. This poster presentation will cover the instrument architecture and highlight the performance of the SIMPL instrument with examples taken from measurements for several sites with distinct canopy structures and compositions. Specific performance areas such as probability of detection, after pulsing, and dead time, will be highlighted and addressed, along with examples of their impact on the measurements and how they limit the ability to accurately model and recover the canopy properties. To assess the sensitivity of SIMPL's measurements to canopy properties an instrument model has been implemented in the FLIGHT radiative transfer code, based on Monte Carlo simulation of photon transport. SIMPL data collected in 2010 over the Smithsonian Environmental Research Center, MD are currently being modelled and compared to other remote sensing and in situ data sets. Results on the adaptation of FLIGHT to model micropulse, single'photon ranging measurements are presented elsewhere at this conference. NASA's ICESat-2 spaceflight mission, scheduled for launch in 2016, will utilize a multi-beam, micropulse, single-photon ranging measurement approach (although non-polarimetric and only at 532 nm). Insights gained from the analysis and modelling of SIMPL data will help guide preparations for that mission, including development of calibration/validation plans and algorithms for the estimation of forest biophysical parameters.

Dabney, Philip W.↗

NASA NTRS2026

LAI Assimilation Schedules to Constrain Uncertain Cultivars and Soils in CERES-Maize

In anticipation of large-domain crop model applications where precise local configuration and calibration is not possible, we describe benefits and potential drawbacks of employing a crop pest module to achieve leaf area index (LAI) assimilation into a high performing CERES-Maize crop model configuration at a field experiment site in Perry, Iowa. Simulation experiments explore the use of MODIS satellite-derived LAI to constrain and adjust LAI to counter imprecise cultivar and soil configurations often occurring in the absence of high-quality local information. Simulations using single-day, window, and continuous LAI replacement across 5 cultivars and 2 soil calibration approaches for nine corn rotation years from 2004 to 2020 led to different yield outcomes and reverberations throughout the field environment. Evaluating variance and mean bias, results indicate minimal interventions in early vegetative and grain-filling stages were more beneficial than use of continuous LAI adjustments, as they minimized disruptions to the internal resource balances governing plant stresses and grain production. LAI adjustment was particularly helpful in constraining growth related to uncertain thermal unit requirements and leaf tip appearance rates (P1 and PHINT cultivar parameters, respectively). Findings underscore the need to assimilate additional state variables to ensure internal biophysical coherence. This approach shows promise for applications spanning wider domains with prediction time pressure where detailed configuration, more complex assimilation methods, or recalibration of crop model parameters may not be practical.

Phenology↗

NASA NTRS1984

Reflectance Modeling

A classical description of the one dimensional radiative transfer treatment of vegetation canopies was completed and the results were tested against measured prairie (blue grama) and agricultural canopies (soybean). Phase functions are calculated in terms of directly measurable biophysical characteristics of the canopy medium. While the phase functions tend to exhibit backscattering anisotropy, their exact behavior is somewhat more complex and wavelength dependent. A Monte Carlo model was developed that treats soil surfaces with large periodic variations in three dimensions. A photon-ray tracing technology is used. Currently, the rough soil surface is described by analytic functions and appropriate geometric calculations performed. A bidirectional reflectance distribution function is calculated and, hence, available for other atmospheric or canopy reflectance models as a lower boundary condition. This technique is used together with an adding model to calculate several cases where Lambertian leaves possessing anisotropic leaf angle distributions yield non-Lambertian reflectance; similar behavior is exhibited for simulated soil surfaces.

Smith, J. A.↗

NASA NTRS2002

Complex patterns of abnormal heartbeats

Individuals having frequent abnormal heartbeats interspersed with normal heartbeats may be at an increased risk of sudden cardiac death. However, mechanistic understanding of such cardiac arrhythmias is limited. We present a visual and qualitative method to display statistical properties of abnormal heartbeats. We introduce dynamical "heartprints" which reveal characteristic patterns in long clinical records encompassing approximately 10(5) heartbeats and may provide information about underlying mechanisms. We test if these dynamics can be reproduced by model simulations in which abnormal heartbeats are generated (i) randomly, (ii) at a fixed time interval following a preceding normal heartbeat, or (iii) by an independent oscillator that may or may not interact with the normal heartbeat. We compare the results of these three models and test their limitations to comprehensively simulate the statistical features of selected clinical records. This work introduces methods that can be used to test mathematical models of arrhythmogenesis and to develop a new understanding of underlying electrophysiologic mechanisms of cardiac arrhythmia.

Non-NASA Center↗

NASA NTRS1993

A mechanism for the reduction in risk of decompression sickness in microgravity environment

There is an apparent reduction in the incidence of decompression sickness reported by astronauts (from both the USA and the USSR) during extravehicular activity (EVA). The expected incidence, based on studies conducted under unit gravity conditions in Earth-based laboratories, is greater than that encountered during EVA. A biophysical explanation has been proposed for this difference based upon the mechanism of stress-assisted nucleation. Since the partial pressure ratio at which this gas phase forms is considerably smaller in living systems that in quiescent in vitro models, it was proposed that mechanical forces are involved. In that the lower extremities of astronautics are not gravitationally loaded in microgravity, it is possible that tissue gas micronuclei are but minimally regenerated. Most likely, gas micronuclei formed on Earth (by ambulation under 1 g conditions) would be eventually depleted. In a crossover study, 20 individuals were decompressed--from 1 ATA to 0.43 ATA for 3 hours--following either being fully ambulatory at unit gravity or following being hypokinetic and adynamic (simulated microgravity of 3-day bed rest). The subjects were monitored for gas phase formation by means of precordial Doppler monitoring. The results indicate a reduction in whole body gas phase formation in individuals who were bed rested as compared with themselves when fully ambulatory (p = 0.02). In hypokinetic individuals, the protection conferred was equivalent to an extra 175 minutes of oxygen prebreathe. These results are compatible with a hypothesis relating stress-assisted nucleation to the continual formation of tissue gas micronuclei and their gradual depletion with hypokinesia.

Powell, Michael R.↗

NASA NTRS1992

Retrieval of biophysical parameters with AVIRIS and ISM: The Landes Forest, south west France

The first steps of an experiment for investigating the capability of airborne spectrometer data for retrieval of biophysical parameters of vegetation, especially water conditions are presented. Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) and ISM data were acquired in the frame of the 1991 NASA/JPL and CNES campaigns on the Landes, South west France, a large and flat forest area with mainly maritime pines. In-situ measurements were completed at that time; i.e. reflectance spectra, atmospheric profiles, sampling for further laboratory analyses of elements concentrations (lignin, water, cellulose, nitrogen,...). All information was integrated in an already existing data base (age, LAI, DBH, understory cover,...). A methodology was designed for (1) obtaining geometrically and atmospherically corrected reflectance data, (2) registering all available information, and (3) analyzing these multi-source informations. Our objective is to conduct comparative studies with simulation reflectance models, and to improve these models, especially in the MIR.

Zagolski, F.↗

NASA NTRS2010

Irrigation Requirement Estimation Using Vegetation Indices and Inverse Biophysical Modeling

We explore an inverse biophysical modeling process forced by satellite and climatological data to quantify irrigation requirements in semi-arid agricultural areas. We constrain the carbon and water cycles modeled under both equilibrium, balance between vegetation and climate, and non-equilibrium, water added through irrigation. We postulate that the degree to which irrigated dry lands vary from equilibrium climate conditions is related to the amount of irrigation. The amount of water required over and above precipitation is considered as an irrigation requirement. For July, results show that spray irrigation resulted in an additional amount of water of 1.3 mm per occurrence with a frequency of 24.6 hours. In contrast, the drip irrigation required only 0.6 mm every 45.6 hours or 46% of that simulated by the spray irrigation. The modeled estimates account for 87% of the total reported irrigation water use, when soil salinity is not important and 66% in saline lands.

Bounoua, Lahouari↗

NASA NTRS2014

Towards Co-evolution of Membrane Transport and Metabolism

Protocellular boundaries were inextricably connected to the metabolism they encapsulated: to be inheritable, early metabolism must have led to an increased rate of growth and division of vesicles and, similarly, transport through vesicle boundaries must have supported the evolution of metabolism. Even though explaining how this coupling emerged and evolved in the absence of the complex machinery of modern cells is one of the key issues in studies on the origin of life, little is known about the biochemical and biophysical processes that might have been involved. This gap in our knowledge is a major impediment in efforts to construct scenarios for the origin of life and laboratory models of protocells. A combination of experimental and computational studies carried out by us and our collaborators is aimed at helping to close this gap. Properties of membranes might have contributed to the selection of RNA as an early biopolymer. A kinetic mechanism was proposed (Sacerdote & Szostak, 2005) in which ribose was supplied more quickly than other aldopentoses to primordial cells for preferential incorporation of ribonucleotides into nucleic acids. This proposal is based on a finding that ribose permeates membranes an order of magnitude faster than its diastereomers, arabinose and xylose. Our computer simulations, which yield permeation rates in excellent agreement with experiment, and kinetic modeling explain this phenomenon in terms of inter- and intramolecular interactions involving exocyclic hydroxyl groups attached to carbon atoms of the pyranose ring (Wei and Pohorille, 2009). They also constrain scenarios for the formation of the earliest nucleic acids (Wei and Pohorille, 2013). In one scenario, sugars permeate protocellular walls and subsequently are used to synthesize nucleic acids inside protocells. As long as this process proceeds at the rate faster than 6x10(exp -3)/s, ribose derivatives will be available for synthesis easier than their diastereomers. If nucleosides or their activated derivatives are synthesized outside protocells and subsequently transported across protocellular membranes the kinetic mechanism does not apply because all diastereomers, which have their sugars in the furanose rather than pyranose form, permeate the membrane at approximately the same rate. Properties of membranes might have been also coupled to metabolism involving peptides. Recently, Adamala and Szostak (2013) have shown that a dipeptide inside fatty-acid vesicles catalyzes the formation of another dipeptide that binds to vesicle walls and, by doing so, promotes their growth at the expense of other vesicles. This coupling of metabolism, permeability of vesicles and their growth is the first demonstration of evolutionary advantage imparted by small, membrane-bound peptides. Building on this work we have calculated the rate at which different blocked amino acids are delivered to a protocell for synthesis of dipeptides. We have further shown that the dipeptides are located at the water-membrane interface rather than in the center of the bilayer. On these basis it is anticipated that other dipeptides containing aromatic, but not necessarily hydrophobic amino acids (e.g. tyrosine) could have the same catalytic effects. Insight from these studies allows for estimating the rate of vesicle growth and the rates of dipeptide synthesis required to keep the system in balance. These results, in combination with our earlier studies, lead to a general scenario for evolution from membrane-bound dipeptides to ion channels in the origin of life.

Metabolism↗

NASA NTRS1999

GCR Transport in the Brain: Assessment of Self-Shielding, Columnar Damage, and Nuclear Reactions on Cell Inactivation Rates

Radiation shield design is driven by the need to limit radiation risks while optimizing risk reduction with launch mass/expense penalties. Both limitation and optimization objectives require the development of accurate and complete means for evaluating the effectiveness of various shield materials and body-self shielding. For galactic cosmic rays (GCR), biophysical response models indicate that track structure effects lead to substantially different assessments of shielding effectiveness relative to assessments based on LET-dependent quality factors. Methods for assessing risk to the central nervous system (CNS) from heavy ions are poorly understood at this time. High-energy and charge (HZE) ion can produce tissue events resulting in damage to clusters of cells in a columnar fashion, especially for stopping heavy ions. Grahn (1973) and Todd (1986) have discussed a microlesion concept or model of stochastic tissue events in analyzing damage from HZE's. Some tissues, including the CNS, maybe sensitive to microlesion's or stochastic tissue events in a manner not illuminated by either conventional dosimetry or fluence-based risk factors. HZE ions may also produce important lateral damage to adjacent cells. Fluences of high-energy proton and alpha particles in the GCR are many times higher than HZE ions. Behind spacecraft and body self-shielding the ratio of protons, alpha particles, and neutrons to HZE ions increases several-fold from free-space values. Models of GCR damage behind shielding have placed large concern on the role of target fragments produced from tissue atoms. The self-shielding of the brain reduces the number of heavy ions reaching the interior regions by a large amount and the remaining light particle environment (protons, neutrons, deuterons. and alpha particles) may be the greatest concern. Tracks of high-energy proton produce nuclear reactions in tissue, which can deposit doses of more than 1 Gv within 5 - 10 cell layers. Information on rates of cell killing from GCR, including patterns of cell killing from single particle tracks. can provide useful information on expected differences between proton and HZE tracks and clinical experiences with photon irradiation. To model effects on cells in the brain, it is important that transport models accurately describe changes in the GCR due to interactions in the cranium and proximate tissues. We describe calculations of the attenuated GCR particle fluxes at three dose-points in the brain and associated patterns of cell killing using biophysical models. The effects of the brain self-shielding and bone-tissue interface of the skull in modulating the GCR environment are considered. For each brain dose-point, the mass distribution in the surrounding 4(pi) solid angle is characterized using the CAM model to trace 512 rays. The CAM model describes the self-shielding by converting the tissue distribution to mass-equivalent aluminum, and nominal values of spacecraft shielding is considered. Particle transport is performed with the proton, neutron, and heavy-ion transport code HZETRN with the nuclear fragmentation model QMSFRG. The distribution of cells killed along the path of individual GCR ions is modeled using in vitro cell inactivation data for cells with varying sensitivity. Monte Carlo simulations of arrays of inactivated cells are considered for protons and heavy ions and used to describe the absolute number of cell killing events of various magnitude in the brain from the GCR. Included are simulations of positions of inactivated cells from stopping heavy ions and nuclear stars produced by high-energy ions most importantly, protons and neutrons.

Shavers, M. R.↗