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PubMed2005

Dynamic adsorption of radon by activated carbon.

The adsorption of radon on activated carbon has been used in or considered for a number of applications, including in situ decay beds, cyclic decontamination systems, and diffusive samplers. And although there are numerous measurements of the adsorption coefficients of specific activated carbons for radon, each of these applications depends on knowing, in addition to the adsorption coefficient for radon, the mass transfer factors describing its dynamic adsorption. Here we used a standard procedure in gas chromatography and chemical engineering, the spreading of a pulse as it passes through a bed of adsorbent, to determine these mass transfer factors. For this application, this procedure is developed further to correct the radon adsorption data for distortions caused by the decay of radon and by the presence of radon decay products in the detector. The results from eight activated carbons show a wide variation in the mass transfer coefficients for radon, which could affect significantly the suitability of adsorbents, as demonstrated here by the effect that mass transfer has on the performance of in situ decay beds.

Adsorption↗

PubMed2006

Controlled photon transfer between two individual nanoemitters via shared high-Q modes of a microsphere resonator.

We realize controlled cavity-mediated photon transfer between two single nanoparticles over a distance of several tens of micrometers. First, we show how a single nanoscopic emitter attached to a near-field probe can be coupled to high-Q whispering-gallery modes of a silica microsphere at will. Then we demonstrate transfer of energy between this and a second nanoparticle deposited on the sphere surface. We estimate the photon transfer efficiency to be about 6 orders of magnitude higher than that via free-space propagation at comparable separations.

Computer Simulation↗

PubMed1994

Substituent contributions to the transport of substituted p-toluic acids across lipid bilayer membranes.

The fluxes of p-toluic acid and seven alpha-methylene-substituted analogs have been determined as a function of pH across planar egg lecithin/decane bilayers to construct a set of well-isolated polar functional group contributions to the free energy of transfer from water to the bilayer transport barrier domain. Nonlinear regression analyses of flux-pH profiles using a model which accounts for unstirred layer effects yielded membrane permeability coefficients (PRX) that varied from 1.1 cm/s for p-toluic acid to 4.1 x 10(-5) cm/s for the alpha-carbamoyl-p-toluic acid. Bulk organic solvent/water partition coefficients (KRX) were obtained for the same set of permeants using four solvent systems to identify a bulk solvent which closely resembles the chemical nature of the bilayer barrier microenvironment for these permeants. The slopes of plots of log PRX vs log KRX were 0.85, 0.91, 0.99, and 2.4, respectively, for hexadecane/water, hexadecene/water, 1,9-decadiene/water, and octanol/water with the best model solvent being that which yielded a slope closest to unity. A significant deviation in the slope from 1, as observed in the correlation with octanol/water partition coefficients, reveals that this relatively polar, hydrogen-bonding solvent is a poor model solvent for describing the barrier microenvironment for these permeants. Thus, the polar interfacial regions occupied by phospholipid head groups are not the barrier domain for the transport of the series examined in this study. The incremental group contributions to the free energy of transfer to the barrier domain (cal/mol) for the functional groups, CI, OCH3, CN, OH, COOH, and CONH2, were found to be 325, 687, 2170, 3860, 5170, and 6060, respectively.(ABSTRACT TRUNCATED AT 250 WORDS)

Benzoates↗

PubMed2006

The role of nucleobase carboradical and carbanion on DNA lesions: a theoretical study.

DNA base release induced by H and OH radical addition to thymine and their corresponding electron adducts is studied at the DFT B3LYP/6-31+G(d,p) level in gas phase and in solution. H atom transfer after radical formation from C2' on the sugar to the C6 site on the base is shown to be prohibited for the radical species. Their corresponding electron adducts, albeit minor events in cellular systems, show excellent capabilities to proton transfer from C2' on the sugar to the C6 site on the base. The barriers for subsequent N-glycosidic bond dissociation range from 0.1 to 1.6 kcal mol(-1) at the B3LYP level and around 5 kcal mol(-1) using the BB1K functional, implying that these reactions can serve as a source to abasic sites. Analysis of bond dissociation energies show that all the reactions are exothermic, which is consistent with the changes in N-glycosidic bond lengths during the proton-transfer reactions. Bulk solvation plays a reverse influence on proton transfer and the bond rupture reactions. Molecular orbitals, NPA charges, and electron affinities are calculated to shed further light on the properties leading up to the intramolecular reactions.

Base Pairing↗

PubMed2005

A Monte Carlo code for the simulation of heavy-ion tracks in water.

TILDA, a new Monte Carlo track structure code for ions in gaseous water that is valid for both high-LET (approximately 10(4) keV/microm) and low-LET ions, is presented. It is specially designed for a comparison of the patterns of energy deposited by a large range of ions. Low-LET ions are described in a perturbative frame, whereas heavy ions with a very high stopping power are treated using the Lindhard local density approximation and the Russek and Meli statistical method. Ionization cross sections singly differential with energy compare well with the experiment. As an illustration of the non-perturbative interaction of high-LET ions, a comparison between the ion tracks of light and heavy ions with the same specific energy is presented (1.4 MeV/nucleon helium and uranium ions). The mean energy for ejected electrons was found to be approximately four times larger for uranium than for helium, leading to a much larger track radius in the first case. For electrons, except for the excitation cross sections that are deduced from experimental fits, cross sections are derived analytically. For any orientation of the target molecule, the code calculates multiple differential cross sections as a function of the ejection and scattering angles and of the energy transfer. The corresponding singly differential and total ionization cross sections are in good agreement with experimental data. The angular distribution of secondary electrons is shown to depend strongly on the orientation of the water molecule.

Algorithms↗

PubMed1999

Manned missions to Mars and chromosome damage.

PURPOSE: To estimate the frequencies of dicentric chromosomes in peripheral lymphocytes of astronauts on missions to Mars. MATERIALS AND METHODS: Calculations of expected frequencies of dicentrics are based on dose estimations and lymphocyte biology. RESULTS: Frequencies of dicentrics are predicted to be 10-40 times higher than the background level. CONCLUSIONS: Stressing the importance of careful mission planning and optimized shielding of transfer vehicle to Mars.

Astronauts↗

PubMed1994

Emission enhancement in terbium-Ruhemann's purple complexes.

Luminescent lanthanide ions such as Eu3+ and Tb3+ show emission enhancement, when complexed with Ruhemann's Purples (RPs, reaction products of ninhydrin and ninhydrin analogs with amino acids) via intramolecular energy transfer from the RP ligands (good absorbers) to the ions Eu3+ and Tb+3 (efficient emitters). The authors present the optical spectroscopic features (absorption, excitation, and emission spectra) of the complexes formed with RPs and Tb. The emission lifetimes of these complexes are also addressed.

Absorption↗

PubMed2004

Cellular parameters for track structure modeling of radiation hazard in space.

Based on irradiation with 45 MeV/u N and B ions and with Co-60 gamma rays, cellular parameters of Katz's track structure model have been fitted for the survival of V79-379A Chinese hamster lung fibroblasts. Cellular parameters representing neoplastic transformations in C3H10T/1/2 cells after their irradiation with heavy ion beams, taken from earlier work, were also used to model the radiation hazard in deep space, following the system for evaluating, summing and reporting occupational exposures proposed in 1967 by a subcommittee of NCRP. We have performed model calculations of the number of transformations in surviving cells, after a given fluence of heavy charged particles of initial energy 500 MeV/u, penetrating thick layers of cells. We take the product of cell transformation and survival probabilities, calculated along the path lengths of charged particles using cellular survival and transformation parameters, to represent a quantity proportional to the "radiation risk factor" discussed in the NCRP document. The "synergistic" effect of simultaneous charged particle transfers is accounted for by the "track overlap" mode inherent in the model of Katz.

Animals↗

PubMed2002

Distributions of specific energy in sensitive layers of the human respiratory tract.

The purpose of the present work was to calculate the specific energy distribution in sensitive cells of the human lung. Specific energy distributions were calculated by applying Monte Carlo methods and the ICRP 66 model of the human respiratory tract. Specific energies were calculated at various depths in the epithelium and combined according to the relative cell abundance. Distributions are given for various combinations of sources, alpha-particle energies, targets and regions of the lung. The chord length does not follow the triangular distribution when the particle range is comparable to the diameter of the target. The notion of "effective volume" is introduced and defined, which is needed for estimation of hit frequency in some particular targets. It has been shown that basal cells are subjected to a larger proportion of alpha-particle hits with small energy transfer than secretory cells. Small energy transfer events that lead to minor damage of the DNA are more efficient in cancer induction than are hits with large energy deposition that lead to cell killing.

Alpha Particles↗

PubMed2006

Microdosimetric model for the induction of cell killing through medium-borne signals.

Microbeam, medium-transfer and low-dose experiments have demonstrated that intercellular signals can initiate many of the same biological events and processes as direct exposure to ionizing radiation. These phenomena cast doubt on cell-autonomous modes of action and the linear, no-threshold carcinogenesis paradigm. To account for the effects of intercellular signals, new approaches are needed to relate dosimetric quantities to the emission and processing of signals by irradiated and unirradiated cells. In this paper, microdosimetric principles are used to develop a stochastic model to relate absorbed dose to the emission and processing of cell death signals by unirradiated cells. Our analyses of published results of medium transfer experiments performed using HPV-G human keratinocytes suggest that the emission of death signals is a bi-exponential function of dose with a distinct plateau in the 5- to 100-mGy range. However, the emission of death signals by HPV-G cells may not become fully saturated until the absorbed dose becomes larger than 0.6 Gy. Similar saturation effects have been observed in microbeam and medium-transfer experiments with other mammalian cell lines. The model predicts that the cell-killing effect of medium-borne death signals decreases exponentially as the absorbed dose becomes small compared to the frequency-mean specific energy per radiation event.

Animals↗

PubMed2000

Mutation of Arg-166 of alkaline phosphatase alters the thio effect but not the transition state for phosphoryl transfer. Implications for the interpretation of thio effects in reactions of phosphatases.

It has been suggested that the mechanism of alkaline phosphatase (AP) is associative, or triester-like, because phosphorothioate monoesters are hydrolyzed by AP approximately 10(2)-fold slower than phosphate monoesters. This "thio effect" is similar to that observed for the nonenzymatic hydrolysis of phosphate triesters, and is the inverse of that observed for the nonenzymatic hydrolysis of phosphate monoesters. The latter reactions proceed by loose, dissociative transition states, in contrast to reactions of triesters, which have tight, associative transition states. Wild-type alkaline phosphatase catalyzes the hydrolysis of p-nitrophenyl phosphate approximately 70 times faster than p-nitrophenyl phosphorothioate. In contrast, the R166A mutant alkaline phosphatase enzyme, in which the active site arginine at position 166 is replaced with an alanine, hydrolyzes p-nitrophenyl phosphate only about 3 times faster than p-nitrophenyl phosphorothioate. Despite this approximately 23-fold change in the magnitude of the thio effects, the magnitudes of Bronsted beta(lg) for the native AP (-0.77 +/- 0.09) and the R166A mutant (-0.78 +/- 0. 06) are the same. The identical values for the beta(lg) indicate that the transition states are similar for the reactions catalyzed by the wild-type and the R166A mutant enzymes. The fact that a significant change in the thio effect is not accompanied by a change in the beta(lg) indicates that the thio effect is not a reliable reporter for the transition state of the enzymatic phosphoryl transfer reaction. This result has important implications for the interpretation of thio effects in enzymatic reactions.

Alanine↗

PubMed2004

Neoplastic transformation in vitro after exposure to low doses of mammographic-energy X rays: quantitative and mechanistic aspects.

The induction of neoplastic transformation in vitro after exposure of HeLa x skin fibroblast hybrid cells to low doses of mammography-energy (28 kVp) X rays has been studied. The data indicate no evidence of an increase in transformation frequency over the range 0.05 to 22 cGy, and doses in the range 0.05 to 1.1 cGy may result in suppression of transformation frequencies to levels below that seen spontaneously. This finding is not consistent with a linear, no-threshold dose- response curve. The dose range at which possible suppression is evident includes doses typically experienced in mammographic examination of the human breast. Experiments are described that attempt to elucidate any possible role of bystander effects in modulating this low-dose radiation response. Not unexpectedly, inhibition of gap junction intercellular communication (GJIC) with the inhibitor lindane did not result in any significant alteration of transformation frequencies seen at doses of 0.27 or 5.4 cGy in these subconfluent cultures. Furthermore, no evidence of a bystander effect associated with factors secreted into the extracellular medium was seen in medium transfer experiments. Thus, in this system and under the experimental conditions used, bystander effects would not appear to be playing a major role in modulating the shape of the dose-response curve.

Bystander Effect↗

PubMed1996

Various approaches to damage assessment.

There are two main approaches used to assess the damage to human health from exposure to low-level ionizing radiation. The first is a realistic best-estimate approach. The second is performed in support of the development of radiation standards to protect workers and the public, and tends to overestimate risk. This paper reviews these approaches to damage assessments as they have been applied to the development of radiation protection standards and current estimates of risk. Technical issues affected by these two different approaches include use of the linear hypothesis, use of relative and absolute risk projection models, dose-rate effectiveness factor, appropriateness of data sets, and the transfer of risks between populations. The prudent approach may be justified for radiation protection purposes, but scientific estimates of risk should reflect the state-of-the-science and include estimates of uncertainty.

Accidents↗

PubMed2005

Role of intramolecular vibrations in long-range electron transfer between pheophytin and ubiquinone in bacterial photosynthetic reaction centers.

The dynamics of the elementary electron transfer step between pheophytin and primary ubiquinone in bacterial photosynthetic reaction centers is investigated by using a discrete state approach, including only the intramolecular normal modes of vibration of the two redox partners. The whole set of normal coordinates of the acceptor and donor groups have been employed in the computations of the Hamiltonian matrix, to reliably account both for shifts and mixing of the normal coordinates, and for changes in vibrational frequencies upon ET. It is shown that intramolecular modes provide not only a discrete set of states more strongly coupled to the initial state but also a quasicontinuum of weakly coupled states, which account for the spreading of the wave packet after ET. The computed transition probabilities are sufficiently high for asserting that electron transfer from bacteriopheophytin to the primary quinone can occur via tunneling solely promoted by intramolecular modes; the transition times, computed for different values of the electronic energy difference and coupling term, are of the same order of magnitude (10(2) ps) of the observed one.

Computer Simulation↗

PubMed2002

Low dose, low-LET ionizing radiation-induced radioadaptation and associated early responses in unirradiated cells.

Numerous investigators have reported that irradiation of cells with a low dose of ionizing radiation (IR) can induce a condition of enhanced radioresistance, i.e. a radioadaptive response. In this report, we investigated the hypothesis that a radioadaptive bystander effect may be induced in unirradiated cells by a transmissible factor(s) present in the supernatants of cells exposed to low dose gamma-rays. Normal human lung fibroblasts (HFL-1) were irradiated with a 1 cGy dose of gamma-rays and their supernatants were transferred to unirradiated HFL-1 as a bystander cell model. Compared with the directly irradiated cells, such treatment resulted in increased clonogenic survival following subsequent gamma-irradiation with 2 and 4 Gy. This radioadaptive bystander effect was found to be preceded by early decreases in cellular levels of TP53 protein, increase in intracellular ROS, and increase in the redox and DNA repair protein AP-endonuclease (APE). The demonstration that radioadaptation can occur in unirradiated cells via a fluid-phase, transferable factor(s) adds to the complexity of the current understanding of mechanisms by which radioadaptive responses can be induced by low dose, low-LET IR.

Adaptation, Physiological↗

PubMed1994

Mechanisms underlying cellular radiosensitivity and R.B.E.: introductory remarks.

A general outline of the symposium titled "Mechanisms underlying cellular radiosensitivity and R.B.E." will be given in the introduction. The essential topics of molecular radiation biology are described with respect to the damage, repair and mutagenesis caused by high-LET irradiation to cellular DNA. The importance of clustered DNA lesions (locally multiply damaged sites) formed in vivo is discussed. This symposium is devoted to the mechanisms of the biological effects of radiation with high LET, especially with regard to the effects of heavy ions and neutrons which may cause possible risks in space flight, (e.g. carcinogenesis and mutagenesis). Detailed understanding of these risks, however, demands knowledge of the molecular mechanisms involved in the biological effects of high-LET radiations. Thus, it was the organizers' idea to hold a symposium dealing with primary physical and chemical events caused in cellular deoxyribonucleoproteins by densely-ionizing radiations and to relate them to track structures and energy transfer processes. The mechanisms of DNA damage were regarded from different points of view including those considering DNA repair and mutagenesis. Problems associated with cell survival and radiation protection were discussed as well. Our knowledge of the molecular mechanisms of high-LET radiation actions, however, is limited compared to what we know about low-LET radiation effects (e.g. from gamma-rays or X-rays). To emphasize this statement, I would like to summarize briefly the open questions in molecular radiation biology, what we know already about low-LET effects and what is lacking describing the effect of high-LET radiation.

Cells↗

PubMed2004

Determination of absorbed dose in the vicinity of a neutron source.

A computational method is presented that transfers the spectral neutron fluence from the measuring position to a reference point in a biological sample. The method is applied to the determination of the absorbed dose in adult blood irradiated with monoenergetic neutrons of 0.035 and 14.8 MeV.

Absorption↗

PubMed2005

MCNP5 for proton radiography.

The developmental version of MCNP5 has recently been extended to provide for continuous-energy transport of high-energy protons. This enhancement involves the incorporation of several significant new physics models into the code. Multiple Coulomb scattering is treated with an advanced model that takes account of projectile and nuclear target form factors. In the next version, this model will provide a coupled sampling of both angular deflection and collisional energy loss, including straggling. The proton elastic scattering model is also new, based on recent theoretical work. Charged particle transport in the presence of magnetic fields is accomplished either by using transfer maps from the COSY INFINITY code (in void regions) or by using an algorithm adapted from the MARS code (in void regions or in scattering materials). Work is underway to validate and implement the latest versions of the Cascade-Exciton Model and the Los Alamos Quark-Gluon String Model, which will process inelastic nuclear interactions and generate secondary particles.

Algorithms↗