High-energy electron irradiation of proteins and nucleic acids: collisional stopping power and average energy loss

Inactivation of proteins due to the direct action of ionizing radiation and the electron energy loss spectra of organic materials indicate that an average of 60–66 eV of energy is lost from high energy electrons in each inelastic collision with target molecules. The average energy loss per inelastic collision with high energy electrons in solid, carbon-based materials, proteins and nucleic acids is calculated from mass collisional stopping powers and empirical total inelastic cross-sections. Bragg’s Additivity Law is used for the calculation of the mean excitation energy of molecules. For simple organic compounds, the calculated average energy loss is close to that obtained by direct observation of the energy loss suffered by electrons as they pass through thin films of organic material. The density effect correction for the rate of energy loss, important in the more complex case of proteins irradiated with 10 MeV electrons, is determined using the comparable mass collisional stopping power of water and proteins. In this manner, a value is obtained for the average energy per inelastic collision of high energy electrons with proteins, which is similar to the average energy per inactivating event of proteins. Analogous calculations for nucleic acids are also presented.     

Spatial distributions of inelastic events produced by electrons in gaseous and liquid water

The spatial distributions of ionizations and other inelastic events in charged-particle tracks are important quantities that influence the final outcome of radiation interaction. Calculations of such distributions are presented for the tracks of electrons in the energy range 100 eV to 10 keV in liquid water and water vapor, and the results are compared. The distributions include the frequency of nearest-neighbor distances for all inelastic events, the mean nearest-neighbor distances for ionizations and for all inelastic events as a function of electron energy, the frequency of distances between all ionizations and all inelastic events, and the farthest distances between all inelastic events in electron tracks. The physical differences between liquid water and water vapor are discussed in terms of the respective inverse mean free paths, the collision spectra, and the nonlocalization of energy losses that are likely to occur in the liquid.     

Cross sections for low-energy (1-100 eV) electron elastic and inelastic scattering in amorphous ice

We report the integral cross sections per scatterer (i.e. elastic collision, phonon excitations, vibrational excitations, electronic excitations and ionization) for 1-100 eV electron scattering in an amorphous film of ice condensed at a temperature of 14 K. The integral cross sections are determined relative to the total from a two-stream multiple-scattering analysis of the electron energy distribution backscattered from the film. Their energy dependence is obtained from both the analysis of the elastic electron reflectivity as a function of the film thickness and the vibrational electron energy-loss spectra measured for several incident energies and large film thickness. The magnitude and various features found in the energy dependence of the cross sections are discussed, whenever possible, by comparison with data and with scattering mechanisms available in the gas phase. Microcospic effects, which are implicitly included in cross sections determined in this way, are discussed in terms of interference and coherent multiple-scattering contributions among the scattering sites as well as interactions of the scattering sites with their neighbors in the condensed phase.     

Effect of the shape of the electron energy distribution function on the dust grain charge and its screening in glow discharge plasmas

The dust grain charge in the plasma of a glow discharge in noble gases and nitrogen is calculated in the orbit motion limited model for reduced fields in the range of E/N = 1–20 Td. The calculations were performed using the electron energy distribution functions (EEDFs) obtained by solving the Boltzmann equation numerically with allowance for elastic and inelastic electron scattering and analytically with allowance for only elastic scattering and (for nitrogen) excitation of rotational levels, as well as using a Maxwellian EEDF. In the latter case, either the characteristic electron energy or mean electron energy multiplied by two thirds was used as the electron temperature. It is shown that the calculations with the use of a Maxwellian EEDF yield larger values of the grain charge as compared to those calculated with EEDFs obtained by solving the Boltzmann equation. The range of E/N values is determined in which analytical expressions for the EEDF obtained with allowance for elastic scattering and excitation of rotational levels are applicable to calculating the grain charge. The effect of the EEDF shape on the screening of the dust grain charge in plasma is investigated. The Debye screening length in case of a Maxwellian EEDF is shown to be shorter than that obtained with EEDFs calculated by numerically solving the Boltzmann equation.     

Analysis of low-energy electron track structure in liquid water

An implementation is presented of interaction cross sections for non-relativistic electron track structure simulations. The model, incorporating liquid-phase cross sections for inelastic interactions and improved algorithms for elastic scattering, is applied to Monte Carlo simulation of the track structure of low-energy electrons. Benchmark distributions and mean values are presented for several measures of penetration distances that characterize the general physical extent of the track structure. The results indicate that, except for the last approximately 500 eV of energy loss, electron tracks have a quasi-linear character; this suggests that a major part of an electron track may be reasonably described by a lineal-energy-like characterization.     

Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments

We present an extensive comparison of short-range order and short wavelength dynamics of a hydrated phospholipid bilayer derived by molecular dynamics simulations, elastic x-ray, and inelastic neutron scattering experiments. The quantities that are compared between simulation and experiment include static and dynamic structure factors, reciprocal space mappings, and electron density profiles. We show that the simultaneous use of molecular dynamics and diffraction data can help to extract real space properties like the area per lipid and the lipid chain ordering from experimental data. In addition, we assert that the interchain distance can be computed to high accuracy from the interchain correlation peak of the structure factor. Moreover, it is found that the position of the interchain correlation peak is not affected by the area per lipid, while its correlation length decreases linearly with the area per lipid. This finding allows us to relate a property of the structure factor quantitatively to the area per lipid. Finally, the short wavelength dynamics obtained from the simulations and from inelastic neutron scattering are analyzed and compared. The conventional interpretation in terms of the three-effective-eigenmode model is found to be only partly suitable to describe the complex fluid dynamics of lipid chains.     

Differential and integral W-values for ionization in gaseous water under electron and proton irradiation: consistency of inelastic collision cross sections.

Differential and integral W-values for ionization in gaseous water for electron and proton irradiation have been analyzed from the theoretical point of view for consistency between ionization and total inelastic collision cross sections. For low-energy electrons, which are ubiquitous for all primary radiations, the experimental or compiled cross sections from different sources are sometimes not consistent with one another. A practical, self-consistent procedure is outlined in such cases. The high-energy asymptotic W-values for differential and integral ionization are calculated to be 33.7 and 34.7 eV, respectively, for electron irradiation and 34.6 and 32.5 eV, respectively, for proton irradiation. The computed variations of the W-values with energy are generally in good agreement with experiment. Integral primary W-values due only to the interactions between the incident particle and the water vapor are calculated to be 43.5 and 45.0 eV for electrons and protons, respectively, in the high-energy asymptotic limit.     

Implementation of new physics models for low energy electrons in liquid water in Geant4-DNA

A new alternative set of elastic and inelastic cross sections has been added to the very low energy extension of the Geant4 Monte Carlo simulation toolkit, Geant4-DNA, for the simulation of electron interactions in liquid water. These cross sections have been obtained from the CPA100 Monte Carlo track structure code, which has been a reference in the microdosimetry community for many years. They are compared to the default Geant4-DNA cross sections and show better agreement with published data.In order to verify the correct implementation of the CPA100 cross section models in Geant4-DNA, simulations of the number of interactions and ranges were performed using Geant4-DNA with this new set of models, and the results were compared with corresponding results from the original CPA100 code. Good agreement is observed between the implementations, with relative differences lower than 1% regardless of the incident electron energy.Useful quantities related to the deposited energy at the scale of the cell or the organ of interest for internal dosimetry, like dose point kernels, are also calculated using these new physics models. They are compared with results obtained using the well-known Penelope Monte Carlo code.     

Scanning transmission electron microscopy of biological structures

The design of the scanning transmission electron microscope (STEM) has been conceived to optimize its detection efficiency of the different elastic and inelastic signals resulting from the interaction of the high energy primary electrons with the specimen. Its potential use to visualize and measure biological objects was recognized from the first studies by Crewe and coworkers in the seventies. Later the real applications have not followed the initial hopes. The purpose of the present paper is to describe how the instrument has practically evolved and recently begun to demonstrate all its potentialities for quantitative electron microscopy of a wide range of biological specimens, from freeze-dried isolated macromolecules to unstained cryosections. Emphasis will be put on the mass-mapping, multi-signal and elemental mapping modes which are unique features of the STEM instruments.     

Optical characteristics and parameters of gas-discharge plasma in a mixture of mercury dibromide vapor with neon

Results are presented from studies of the optical characteristics and parameters of plasma of a dielectric barrier discharge in a mixture of mercury dibromide vapor with neon—the working medium of a non-coaxial exciplex gas-discharge emitter. The electron energy distribution function, the transport characteristics, the specific power losses for electron processes, the electron density and temperature, and the rate constants for the processes of elastic and inelastic electron scattering by the working mixture components are determined as functions of the reduced electric field. The rate constant of the process leading to the formation of exciplex mercury monobromide molecules is found to be 1.6 × 10^?14 m³/s for a reduced electric field of E/N = 15 Td, at which the maximum emission intensity in the blue-green spectral region (λ_max = 502 nm) was observed in this experiment.     

A method of calculating initial DNA strand breakage following the decay of incorporated 125I

Two sources of individual Auger electron spectra and an electron track code were used with a simple model of the DNA to successfully simulate the single-strand DNA breakage measured by Martin and Haseltine (1981). The conditions of the calculation were then extended to examine patterns of single-strand breaks in both strands of the DNA duplex to score double-strand breaks. The occurrences of five types of break were scored. The total number of double-strand breaks (dsb) per decay at the site of the decay was 0.90 and 0.65 for the different Auger electron spectra. It was shown that for mammalian cells an additional source of double-strand breaks from low LET radiation added approximately 0.17 dsb/decay to each, giving a final total of 1.07 and 0.85 dsb/decay for mammalian cells depending on the electron spectrum. Further is is shown that the energy deposition in the DNA from the iodine decay is very complex, with a broad range of energy depositions and products. Even for a particular energy deposited in the DNA different types of strand break are produced. These are identified and their probabilities calculated.     

Theory of the acoustic instability and behavior of the phase velocity of acoustic waves in a weakly ionized plasma

The amplification of acoustic waves due to the transfer of thermal energy from electrons to the neutral component of a glow discharge plasma is studied theoretically. It is shown that, in order for acoustic instability (sound amplification) to occur, the amount of energy transferred should exceed the threshold energy, which depends on the plasma parameters and the acoustic wave frequency. The energy balance equation for an electron gas in the positive column of a glow discharge is analyzed for conditions typical of experiments in which acoustic wave amplification has been observed. Based on this analysis, one can affirm that, first, the energy transferred to neutral gas in elastic electron-atom collisions is substantially lower than the threshold energy for acoustic wave amplification and, second, that the energy transferred from electrons to neutral gas in inelastic collisions is much higher than that transferred in elastic collisions and thus may exceed the threshold energy. It is also shown that, for amplification to occur, there should exist some heat dissipation mechanism more efficient than gas heat conduction. It is suggested that this may be convective radial mixing within a positive column due to acoustic streaming in the field of an acoustic wave. The features of the phase velocity of sound waves in the presence of acoustic instability are investigated.     

Dissipation of Energy of an AC Electric Field in a Semi-Infinite Electron Plasma with Mirror Boundary Conditions

Absorption of the electromagnetic energy in a semi-infinite electron plasma is calculated for an arbitrary degree of the electron gas degeneracy. Absorption is determined by solving the boundary-value problem on the oscillations of electron plasma in a half-space with mirror boundary conditions for electrons. The Vlasov?Boltzmann kinetic equation with the Bhatnagar–Gross–Krook collision integral for the electron distribution function and Maxwell’s equation for the electric field are employed. The electron distribution function and the electric field inside plasma are searched for in the form of expansions in the eigenfunctions of the initial set of equations. The expansion coefficients are found for the case of mirror boundary conditions. The contribution of the plasma surface to absorption is analyzed. Cases with different degrees of electron gas degeneracy are considered. It is shown that absorption of the electromagnetic energy near the surface depends substantially on the ratio between the electric field frequency and the volumetric electron collision frequency.     

Ionization yields in hydrocarbons under electron irradiation

Ionization yields and W-values in several hydrocarbon gases under electron irradiation have been calculated using Inokuti's solution of the Fowler equation, i.e., incorporating a linear dependence of ionization yield on source electron energy. Collision stopping powers of hydrocarbons were evaluated using the Bethe formula with mean excitation energies determined using the additivity rule with modification based on molecular bond strengths. Contributions to the collision stopping powers from discrete level excitations were estimated by multiplying collision stopping powers by the excitation fractions constructed from atomic calculations. Average energy transfers for ionizing collisions producing subionization electrons were calculated using differential ionization cross sections proposed by Khare and co-workers. The calculated W-values are in good agreement with those recommended by ICRU.     

Kinetic study of the linear stage of thermocurrent instability in the framework of the Boltzmann equation for a model gas

The linear stage of thermocurrent instability is investigated for a model gas in which the integral of inelastic collisions of electrons with gas particles has a divergent form and the frequencies of elastic and inelastic collisions are independent of the electron velocity. The proposed approach consists in the reduction of the Boltzmann equation for electrons in an inhomogeneous plasma to a set of equations for the moments of the electron velocity distribution function. The instability growth rate and the wave phase velocity as functions of the perturbation wavenumber are calculated, the maximum growth rate and the corresponding wavenumber are determined, and the dependence of these quantities on the degree of plasma quasineutrality is examined. It is demonstrated that the model satisfactorily (both qualitatively and quantitatively) describes the linear stage of thermocurrent instability in helium.     

Track structures and dose distributions from decays of (131)I and (125)I in and around water spheres simulating micrometastases of differentiated thyroid cancer

The disintegration of the radionuclides (131)I and (125)I and the subsequent charged-particle tracks left behind in water (as a model substance for a biological cell) are simulated by the Monte Carlo track structure simulation code PARTRAC, using new inelastic electron scattering cross sections for condensed water. Every photon and electron emitted was followed in detail, event by event, down to 10 eV. From the spatial information on the track structures, absorbed dose distributions per (131)I and (125)I decay were calculated in and around water spheres simulating micrometastases as well as in the tissue surrounding such metastases. These radionuclides were assumed to be distributed uniformly inside spheres of different diameters (0.01, 0.03, 0.1, 0.3, 1.0 and 3.0 mm). The respective electron degradation spectra, the nearest-neighbor distance distributions between inelastic events, and the distance distributions for all activations for both iodine radionuclides were calculated. The absorbed fractions of the initial electron energies, absorbed doses and energy depositions, and single-event distributions, F(1)(epsilon), inside the six water spheres described above and in the surrounding tissue were also calculated. The absorbed doses per decay inside the six water spheres, i.e., the calculated S values (listed from 0.01 to 3.0 mm), were 6.8 x 10(-4), 7.2 x 10(-5), 5.5 x 10(-6), 4.9 x 10(-7), 3.1 x 10(-8) and 1.8 x 10(-9) Gy Bq(-1) s(-1) for (131)I, and 3.4 x 10(-3), 1.7 x 10(-4), 5.1 x 10(-6), 2.0 x 10(-7), 5.6 x 10(-9) and 2.2 x 10(-10) Gy Bq(-1) s(-1) for (125)I. It is concluded that, in the treatment of thyroid cancer, the geometrical track structure properties of (125)I might be superior to those of (131)I in micrometastases with diameters less than 0.1 mm; however, in this medical context, many other factors also have to be considered.     

Survival and detectability bias of avian fence collision surveys in sagebrush steppe

We used female ring-necked pheasant (Phasianus colchicus) carcasses as surrogates for greater sage-grouse (Centrocercus urophasianus) to study factors influencing survival and detection bias associated with avian fence collision surveys in southern Idaho, USA, during spring 2009. We randomly placed 50 pheasant carcasses on each of 2 study areas, estimated detection probability during fence-line surveys, and monitored survival and retention of carcasses and their associated sign over a 31-day period. Survival modeling suggested site and habitat features had little impact on carcass survival, and constant survival models were most supported by the data. Model averaged carcass daily survival probability was low on both study areas and ranged from 0.776 to 0.812. Survival of all carcass sign varied strongly by location, and the top sign survival model included a site effect parameter. Model averaged daily survival probability for collision sign on the 2 study sites ranged from 0.863 to 0.988 and varied between sites. Logistic regression modeling indicated detection probability of carcasses during fence-line surveys for avian collision victims was influenced by habitat type and microsite shrub height at the carcass location. Carcasses located in big sagebrush (Artemisia tridentata) habitats were detected at a lower rate (0.36) than carcasses in little (A. arbuscula) and black sagebrush (A. nova) habitats (0.71). Increasing shrub height at the carcass location from the little sagebrush mean of 16.5 cm to the big sagebrush mean of 36.0 cm reduced detection probability by approximately 30%. Avian fence collision surveys in sagebrush-steppe habitats should be conducted at ≤2-week sampling intervals to reduce the impact of survival bias on collision rate estimates. Two-week sampling intervals may be too long in areas with low carcass and sign survival, therefore survival rates should be estimated on all study areas to determine the appropriate sampling interval duration. Researchers should be aware of the effects of local vegetation on detection probabilities, and methods to correct detection probabilities based on collision site attributes should be applied to ensure more accurate collision rate estimates. Additionally, caution should be used when aggregating or comparing uncorrected collision data from areas with differing vegetation, as detection probabilities are likely different between sites. © 2011 The Wildlife Society.     

Optical characteristics and parameters of the plasma of a barrier discharge excited in a mixture of mercury dibromide vapor with nitrogen and helium

Results are presented from experimental and theoretical studies of the optical characteristics and parameters of the plasma of an atmospheric-pressure barrier discharge excited in a HgBr₂: N₂: He mixture, which was used as the working medium of a small-size (with a radiation area of 8 cm²) exciplex gas-discharge radiation source. The mean radiation power of 87 mW was achieved at the radiation wavelength λ_max = 502 nm. The electron energy distribution function, the transport characteristics, the specific energy lost in the processes involving electrons, the electron temperature and density, and the rate constants of elastic and inelastic electron scattering by the components of the working mixture were calculated as functions of the reduced field E/N. The plasma of a discharge excited in a HgBr₂: N₂: He mixture can be used as the working medium of a small-size blue-green radiation source. Such a source can find application in biotechnology, photonics, and medicine and can also be used to manufacture gas-discharge display panels.     

Fireball as the result of self-organization of an ensemble of diamagnetic electron-ion nanoparticles in molecular gas

The conditions for dissipative self-organization of a fireball (FB) is a molecular gas by means of a regular correction of an elastic collision of water and nitrogen molecules by the field of a coherent bi-harmonic light wave (BLW) are presented. The BWL field is generated due to conversion of energy of a linear lightning discharge into light energy. A FB consists of two components: an ensemble of optically active diamagnetic electron-ion nanoparticles and a standing wave of elliptical polarization (SWEP). It is shown that the FB lifetime depends on the energies accumulated by nanoparticles and the SWEP field and on the stability of self-oscillations of the energy between nanoparticles and SWEP.     

Monte Carlo calculations of energy deposition distributions of electrons below 20 keV in protein

The distributions of energy depositions of electrons in semi-infinite bulk protein and the radial dose distributions of point-isotropic mono-energetic electron sources [i.e., the so-called dose point kernel (DPK)] in protein have been systematically calculated in the energy range below 20 keV, based on Monte Carlo methods. The ranges of electrons have been evaluated by extrapolating two calculated distributions, respectively, and the evaluated ranges of electrons are compared with the electron mean path length in protein which has been calculated by using electron inelastic cross sections described in this work in the continuous-slowing-down approximation. It has been found that for a given energy, the electron mean path length is smaller than the electron range evaluated from DPK, but it is large compared to the electron range obtained from the energy deposition distributions of electrons in semi-infinite bulk protein. The energy dependences of the extrapolated electron ranges based on the two investigated distributions are given, respectively, in a power-law form. In addition, the DPK in protein has also been compared with that in liquid water. An evident difference between the two DPKs is observed. The calculations presented in this work may be useful in studies of radiation effects on proteins.