Search for New Phenomena in t t ¯ Events with Large Missing Transverse Momentum in Proton-Proton Collisions at s = 7 TeV with the ATLAS Detector
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G. Aad↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Measurement of charged-particle event shape variables in inclusive ( s ) = 7 TeV proton-proton interactions with the ATLAS detector
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G. Aad↗
Modeling the Proton Radiation Belt With Van Allen Probes Relativistic Electron‐Proton Telescope Data
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R. S. Selesnick↗
The M2 Proton Channel of Influenza Virus: How Does It Work?
The transport of protons across membranes is an essential process for both bioenergetics of modem cells and the origins of cellular life. All living systems make use of proton gradients across cell walls to convert environmental energy into a high-energy chemical compound, adenosine triphosphate (ATR), synthesized from adenosine diphosphate. ATR, in turn, is used as a source of energy to drive many cellular reactions. The ubiquity of this process in biology suggests that even the earliest cellular systems were relying on proton gradient for harvesting environmental energy needed to support their survival and growth. In contemporary cells, proton transfer is assisted by large, complex proteins embedded in membranes. The issue addressed in this study was: how the same process can be accomplished with the aid of similar, but much simpler molecules that could have existed in the protobiological milieu? The model system used in the study contained a bilayer membrane made of phospholipid, dimyristoylphosphatidylcholine (DMPC), which is a good model of the biological membranes focusing cellular boundaries. Both sides of the bilayer were surrounded by water which simulated the environment inside and outside the cell. Embedded in the membrane was a fragment of the Influenza-A M2 protein and enough sodium counterions to maintain system neutrality. This protein has been shown to exhibit remarkably high rates of proton transport and, therefore, is an excellent model to study the formation of proton gradients across membranes. The Influenza M2 protein is 97 amino acids in length, but a fragment 25 amino acids long, which contains a transmembrane domain of 19 amino acids flanked by 3 amino acids on each side, is sufficient to transport protons. Four identical protein fragments, each folded into a helix, aggregate to form small channels spanning the membrane. Protons are conducted through a narrow pore in the middle of the channel in response to applied voltage. This channel is large enough to contain water molecules, and is normally filled with water. In analogy to the mechanism of proton transfer in some other channels, it has been postulated that protons are translocated along the network of water molecules filling the pore of the channel. This mechanism, however, must involve an additional, important step because the channel contains four histidine amino acid residues, one from each of the helices, which are sufficiently large to occlude the pore and interrupt the water network. The histidine residues ensure channel selectivity by blocking transport of small such as sodium or potassium. They have been also implicated in gating protons due to the ability of each histidine to become positively charged by accepting an additional proton. Two mechanisms of gating have been proposed. In one mechanism, all four histidines acquire an additional proton and, due to repulsion between their positive charges, move away from one another, thus opening the channel. The alternative mechanism relies of the ability of protons to move between different atoms in a molecule (tautomerization). Thus, a proton is captured on one side of the gate while another proton is released from the opposite side, and the molecule returns to the initial state through tautomerization. The simulations were designed to test these two mechanisms. Large-scale, atomic-level molecular dynamics simulations of the channel, in which the histidine residues were in different protonation states revealed that all intermediate states of the system involved in the tautomerization mechanism are structurally stable and the arrangement of water molecules in the channel is conducive to the proton transport. In contrast, in the four-protonated state, postulated to exist in the gate-opening mechanism, the electrostatic repulsion between the histidine residues appears to be so large that the channel looses its structural integrity and one helix moves away from the remaining three. This result indicates that such a mechanism of proton transport is unlikely. The simulations revealed that translocation along a network of water molecules in the channel and tautomerization of the histidine residues in the M2 proteins in the most likely mechanism of proton transport. The results not only explain how a remarkably simple protein system can efficiently aid in the formation of proton gradients across cell walls, but also suggest how this system can be genetically re-engineered to become a directional, reversible proton pump. Such a pump can provide energy to laboratory-built models of simple cellular systems. If they were successfully constructed it would greatly advance our understanding of the beginnings of life and find important applications in medicine and pharmacology.
Pohorille, Andrew↗
Computer-aided design of a proton pump
The use of transmembrane proton gradients in energy transduction is an almost universal feature of life on earth. These proton gradients are established and maintained by specialized assemblies of proteins which actively pump protons across membranes. One broad class of proton pumps uses captured light energy to drive the proton pumping. Our goal is to elucidate the minimum structural requirements of a light-driven proton-pump. There are two basic components to a simple light-driven proton pump: a source of photo-generated protons and a "gate-keeper" which prevents these protons from reattaching themselves to their source. A wide variety of molecules in the membrane, even as simple as polycyclic aromatic hydrocarbons, are capable of releasing protons when illuminated. Our work is therefore focused on the design of the "gate-keeper." Our initial model involves a pair of proton acceptors, coupled to each other by a transient water bridge, and supported in the membrane by a small bundle of peptide helices. Upon illumination, the proton source transfers its proton to the:- first acceptor of the gate-keeper. While the reverse reaction is highly probable, all that is needed to ensure irreversibility is a nonvanishing probability that the proton will be transferred to the second acceptor across a transient water bridge. Back transfer of the proton to the first acceptor, and thence to the proton source, is impeded by the free energy required to move the proton uphill towards the. proton source and by the disruption of the transient water bridge. As a prototypical water-bridged proton transfer system, we are studying the transfer of a proton across a water bridge from a formic acid to a formate anion. With a pK(sub alpha), of 3.7. formic acid is a good model for the acidic amino acids glutamate and aspartate which are good candidates for gate-keeper proton acceptors. Simulations of proton transfer reactions in a membrane are complicated by the quantum mechanical nature of the process breaking and forming chemical bonds.
New, Michael H.↗
Proton Transport
The transport of protons across membranes is an essential process for both bioenergetics of modern cells and the origins of cellular life. All living systems make use of proton gradients across cell walls to convert environmental energy into a high-energy chemical compound, adenosine triphosphate (ATP), synthesized from adenosine diphosphate. ATP, in turn, is used as a source of energy to drive many cellular reactions. The ubiquity of this process in biology suggests that even the earliest cellular systems were relying on proton gradient for harvesting environmental energy needed to support their survival and growth. In contemporary cells, proton transfer is assisted by large, complex proteins embedded in membranes. The issue addressed in this Study was: how the same process can be accomplished with the aid of similar but much simpler molecules that could have existed in the protobiological milieu? The model system used in the study contained a bilayer membrane made of phospholipid, dimyristoylphosphatidylcholine (DMPC) which is a good model of the biological membranes forming cellular boundaries. Both sides of the bilayer were surrounded by water which simulated the environment inside and outside the cell. Embedded in the membrane was a fragment of the Influenza-A M$_2$ protein and enough sodium counterions to maintain system neutrality. This protein has been shown to exhibit remarkably high rates of proton transport and, therefore, is an excellent model to study the formation of proton gradients across membranes. The Influenza M$_2$ protein is 97 amino acids in length, but a fragment 25 amino acids long. which contains a transmembrane domain of 19 amino acids flanked by three amino acids on each side. is sufficient to transport protons. Four identical protein fragments, each folded into a helix, aggregate to form small channels spanning the membrane. Protons are conducted through a narrow pore in the middle of the channel in response to applied voltage. This channel is large enough to contain water molecules. and is normally filled with water. In analogy to the mechanism of proton transfer in some other channels, it has been postulated that protons are translocated along the network of water molecules filling the pore of the channel. This mechanism, however, must involve an additional important step because the channel contains four histidine amino acid residues, one from each of the helices, which are sufficiently large to occlude the pore and interrupt the water network. The histidine residues ensure channel selectivity by blocking transport of small ions, such as sodium or potassium. They have been also implicated in gating protons due to the ability of each histidine to become positively charged by accepting an additional proton. Two mechanisms of gating have been proposed. In one mechanism, all four histidines acquire an additional proton and, due to repulsion between their positive charges, move away from one another, thus opening the channel. The alternative mechanism relies of the ability of protons to move between different atoms in a molecule (tautomerization). Thus, a proton is captured on one side of the gate while another proton is released from the opposite side, and the molecule returns to the initial state through tautomerization. The simulations were designed to test these two mechanisms. Large-scale, atomic-level molecular dynamics simulations of the channel with the histidine residues in different protonation states revealed that all intermediate states of the system involved in the tautomerization mechanism are structurally stable and the arrangement of water molecules in the channel is conducive to the proton transport. In contrast, in the four-protonated state, postulated to exist in the gate-opening mechanism, the electrostatic repulsion between the histidine residues appears to be so large that the channel loses its structural integrity and one helix moves away from the remaining three. Additional information is contained within the original extended abstract.
Pohorille, Andrew↗
Response of thyroid follicular cells to gamma irradiation compared to proton irradiation. I. Initial characterization of DNA damage, micronucleus formation, apoptosis, cell survival, and cell cycle phase redistribution
The RBE of protons has been assumed to be equivalent to that of photons. The objective of this study was to determine whether radiation-induced DNA and chromosome damage, apoptosis, cell killing and cell cycling in organized epithelial cells was influenced by radiation quality. Thyroid-stimulating hormone-dependent Fischer rat thyroid cells, established as follicles, were exposed to gamma rays or proton beams delivered acutely over a range of physical doses. Gamma-irradiated cells were able to repair DNA damage relatively rapidly so that by 1 h postirradiation they had approximately 20% fewer exposed 3' ends than their counterparts that had been irradiated with proton beams. The persistence of free ends of DNA in the samples irradiated with the proton beam implies that either more initial breaks or a quantitatively different type of damage had occurred. These results were further supported by an increased frequency of chromosomal damage as measured by the presence of micronuclei. Proton-beam irradiation induced micronuclei at a rate of 2.4% per gray, which at 12 Gy translated to 40% more micronuclei than in comparable gamma-irradiated cultures. The higher rate of micronucleus formation and the presence of larger micronuclei in proton-irradiated cells was further evidence that a qualitatively more severe class of damage had been induced than was induced by gamma rays. Differences in the type of damage produced were detected in the apoptosis assay, wherein a significant lag in the induction of apoptosis occurred after gamma irradiation that did not occur with protons. The more immediate expression of apoptotic cells in the cultures irradiated with the proton beam suggests that the damage inflicted was more severe. Alternatively, the cell cycle checkpoint mechanisms required for recovery from such damage might not have been invoked. Differences based on radiation quality were also evident in the alpha components of cell survival curves (0.05 Gy(-1) for gamma rays, 0.12 Gy(-1) for protons), which suggests that the higher level of survival of gamma-irradiated cells could be attributed to the persistence of nonlethally irradiated thyrocytes and/or the capacity to repair damage more effectively than cells exposed to equal physical doses of protons. The final assessment in this study was radiation-induced cell cycle phase redistribution. Gamma rays and protons produced a similar dose-dependent redistribution toward a predominantly G(2)-phase population. From our cumulative results, it seems likely that a majority of the proton-irradiated cells would not continue to divide. In conclusion, these findings suggest that there are quantitative and qualitative differences in the biological effects of proton beams and gamma rays. These differences could be due to structured energy deposition from the tracks of primary protons and the associated high-LET secondary particles produced in the targets. The results suggest that a simple dose-equivalent approach to dosimetry may be inadequate to compare the biological responses of cells to photons and protons.
NASA Discipline Radiation Health↗
2025 ASMS Investigation of the Collision-Induced Dissociation Mechanism of Protonated TODGA with IRIS
Title (20 words): Investigation of the Collision-Induced Dissociation Mechanism of Protonated TODGA with IRIS Introduction (120 words): One of the challenges facing wide-spread adoption of nuclear power is the development of efficient separation processes for used nuclear fuel. The molecules in separation processes are subjected to an extreme environment due to the high radiation fields from the used fuel and highly acidic media used for fuel dissolution, which results in significant molecular degradation, leading to reduced process efficiency. These degradation products must be identified and studied so mitigation strategies can be developed to maintain process efficiency. However, complex systems can have many degradation products, complicating identification. Untargeted analysis tools could be used to understand radiation chemistry in complex systems. However, this would necessitate improved understanding of the gas-phase fragmentation mechanisms of fuel cycle molecules like tetraoctyldiglycolamide (TODGA). Methods (120 words): The gas-phase fragmentation of protonated TODGA was investigated using collision-induced dissociation (CID), resonance ejection, and infrared ion spectroscopy (IRIS). CID and resonance ejection experiments were conducted using a Bruker Daltonics (Bremen, Gemany) SolariX XR fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. IRIS spectra of protonated TODGA and its two CID fragmentation products were measured using a modified Bruker amaZon Speed ETD 3D quadrupole ion trap mass spectrometer coupled to the Free Electron Lasers for Infrared eXperiments (FELIX) free electron laser. Measured spectra were compared with density functional theory (DFT) calculations using the Gaussian 16, Revision C.02 software package with the ?B97X-D functional and def2-TZVPP basis sets. Candidate structures were generated using the CREST 3.0 conformational sampling software tool. Preliminary Data (300 words): Collision-induced dissociation of protonated TODGA ([C36H73N2O3]+, m/z=581.562) results two fragment ions, one at m/z=340.285 assigned as [C20H38NO3]+ and the other at m/z=312.290, assigned as [C19H38NO2]+. Based on the assigned formula and the structure of protonated TODGA, the fragment at m/z=340.285 is likely formed from elimination of neutral dioctylamine. Comparison of the IRIS spectrum of m/z=340.285 with DFT predictions suggests it contains a ring structure, and is assigned as N-octyl-N-(6-oxo-1,4-dioxan-2-ylidene)octan-1-aminium. Based on this structure and the structure of protonated TODGA, we hypothesize this fragment formed from elimination of neutral dioctylamine followed by a ring closure mechanism. Comparison of the IRIS spectrum of the fragment at m/z=312.290 with DFT predictions also indicated the presence of a ring structure, assigned as N-(1,3-dioxolan-4-ylidene)-N-octyloctan-1-aminium. This product could be formed from elimination of carbon monoxide from the ring of m/z=340.285 as a sequential fragmentation or formed directly from protonated TODGA via elimination of neutral N,N-dioctylformamide followed by a ring closure. Resonance ejection experiments where m/z=340 was continuously ejected from the IRC cell showed no decrease in intensity of m/z=312.290 across several collision energies, suggesting that the later, direct formation mechanism, dominates. The location of the ionizing proton in protonated TODGA is important for modeling the fragmentation mechanisms. DFT calculations suggested that the position of bands involving the coupled vibrations of the amide C—N and C=O bonds in TODGA are the most sensitive to proton location. Evaluation of the IRIS spectrum of protonated TODGA suggests that the ionizing proton is located between the two amid oxygens. This protonation location was calculated to lie approximately 30 kJ/mol lower in energy than the next lowest energy location, with the proton located solely on one of the amide oxygens. Novel aspect (20 words): Infrared ion spectroscopy combined with resonance ejection experiments and density functional theory to probe the collision-induced dissociation mechanism of tetraoctyldiglycolamide.
37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
Enhanced Anhydrous Proton Conductivity in Azole Phosphonic Acid Mixtures
Azole molecules are investigated as potential candidates for proton conductors under anhydrous conditions. Since 1,2,3-triazole has the lowest melting point (T m = 17 °C), it was blended with three phosphonic acid-containing molecules (small molecules with one and two phosphonic acids per molecule and a phosphonic acid polymer) to provide a source of excess protons to enhance the proton conductivity of the blends. Here we study a wide range of compositions in each system to find that these three mixtures show a maximum proton conductivity at moderate doping compositions, approximately 5–10 azole molecules per phosphonic acid group. Using NMR diffusometry, we show that the protons bonded to nitrogen move faster than the protons bonded to carbons of 1,2,3-triazole, suggesting proton hopping between azole proton carriers. Given the high proton conductivity at 90 °C of the best mixtures, in the range of 20–60 mS/cm, this work provides a path forward for future work in anhydrous proton-conducting polymer membranes. Additionally, Raman spectroscopy was used to accurately determine the molar percentage of protonated 1,2,3-triazole. Combining that with the proton diffusion results, we find that the phosphonic acid polymer shows the most proton hopping at low acid content.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Hydration-Controlled Proton Transport in Respiratory Complex I
Proton pumping by respiratory complex I is one essential element for generating the proton motive force that drives ATP synthesis in mitochondria. Although it is understood that electrons from NADH reduce ubiquinone at the peripheral arm and that four protons are transferred in the membrane domain, the mechanism by which this redox reaction initiates proton translocation remains unclear. A lateral pathway linking the quinone binding site to the membrane domain via ND1, ND3, and ND4L subunits has been proposed as a possible initial path of an excess proton. However, experimental structures indicate that the hydration connectivity between D66 ND3 and E34 ND4L is comparatively weaker than in neighboring segments, suggesting a potential regulatory point for proton transfer. Using multiscale reactive molecular dynamics (MS-RMD) and a water wire connectivity metric, we directly simulate proton transport through this region as coupled to the hydration by water molecules. Our results reveal that proton transfer is thermodynamically feasible when transient hydration aligns with the presence of an excess proton, revealing the strong coupling between hydration and proton transfer (PT) in this region of Complex I. These findings support a model where proton injection enhances local hydration, dynamically opening the pathway for proton transfer and regulating the onset of proton pumping in Complex I.
Chemical structure↗
Identifying Spectral Descriptors for Protonation in BaZr 0.8 Y 0.2 O 3-x with Electron Energy Loss Spectroscopy
Hydrogen economy is of paramount importance in the global transition to a sustainable, clean energy source that contributes to decarbonization efforts. In particular, the proton conducting proton ceramic fuel cells (PCFCs) play a crucial role in promoting hydrogen energy technology [1-5]. In a PCFC, the electrolyte is typically a solid oxide material that enables proton transport and can operate at temperatures lower than those of traditional oxygen ion conducting fuel cells [6]. The reduced operating temperature of PCFCs contributes to their durability, scalability, and efficiency [7,8]. BaZr 0.8 Y 0.2 O 3-x (BZY) is a promising proton conducting solid oxide electrolyte [9,10]. The emphasis on proton conductivity entails the importance of understanding proton content in the system. However, previous studies have largely relied on bulk techniques such as electrochemical impedance spectroscopy [7,11], Karl-Fischer titration [12,13], and thermogravimetric analysis [14] to obtain proton concentration. This is due to the small atomic size and light mass of hydrogen species making direct detection challenging. Bulk methods may be useful in estimating the proton content; however, it overlooks possible proton concentration gradient or segregation that may occur across or within a nanoparticle, especially when proton incorporation occurs nonuniformly through steam exposure on powder samples. In this paper, BZY is protonated at an estimated 0.15 mol of protons via steam exposure. Electron energy loss spectroscopy (EELS) with nanoscale spatial resolution is explored to identify proxy signals for proton detection using a JEOL ARM300 microscope operated at 300 kV with a Gatan GIF Continuum detector.
08 HYDROGEN↗
Proton Effects and Test Issues for Satellite Designers
Microelectronic and photonic systems in the natural space environment are bombarded by a variety of charged particles including electrons, trapped protons, cosmic rays, and solar particles (protons and other heavy ions). These incident particles cause both ionizing and non-ionizing effects when traversing a device, and the effects can be either transient or permanent. The vast majority of the kinetic energy of an incident proton is lost to ionization, creating the single event effects (SEES) and total ionizing dose (TID) effects. However, the small portion of energy lost in non-ionizing processes causes atoms to be removed from their lattice sites and form permanent electrically active defects in semiconductor materials. These defects, i.e., "displacement damage," can significantly degrade device performance. In general, most of the displacement damage effects in the natural space environment can be attributed to protons since they are plentiful and extremely energetic (and therefore not readily shielded against). For this reason, we consider only proton induced displacement damage in this course. (Nevertheless, we identify solar cells as an important example of a case where both electron and proton damage can be important since only very light shielding is feasible.) The interested reader is encouraged to explore the three previous NSREC and RADECS short courses which also treat displacement damage issues for satellite applications. Part A of this segment of the short course introduces the space environment, proton shielding issues, and requirements specifications for proton-rich environments. In order to exercise the displacement damage analysis tools for on-orbit performance predictions, the requirements document must provide the relevant proton spectra in addition to the usual total ionizing dose-depth curves. Ion-solid interactions and the nature of the displacement damage they generate have been studied extensively for over half a century, yet they still remain a subject of investigation. In this section, a description of the mechanisms by which displacement damage is produced will be followed by a summary of the major consequences for device performance in a space environment. Often the degradation of a device parameter can be characterized by a damage factor (measured in a laboratory using monoenergetic protons) that is simply the change in a particular electrical or optical parameter per unit proton fluence. In addition, we will describe the concept of a non-ionizing energy loss rate (NIEL) which quantifies that portion of the energy lost by an incident ion that goes into displacements. It has been calculated as a function of proton energy, and is analogous to (and has the same units as) the linear energy transfer (LET) for ionizing energy. We will discover that, to first order, the calculated NIEL describes the energy dependence of the measured device damage factors. This observation provides the basis for predicting proton induced device degradation in a space environment based on both the calculated NIEL and relatively few laboratory test measurements. The methodology of such on-orbit device performance predictions will be described, as well as the limitations. Several classes of devices for which displacement damage is a significant (if not the dominant) mode of radiation induced degradation will be presented.
Marshall, Cheryl J.↗
Board Level Proton Testing Book of Knowledge for NASA Electronic Parts and Packaging Program
This book of knowledge (BoK) provides a critical review of the benefits and difficulties associated with using proton irradiation as a means of exploring the radiation hardness of commercial-off-the-shelf (COTS) systems. This work was developed for the NASA Electronic Parts and Packaging (NEPP) Board Level Testing for the COTS task. The fundamental findings of this BoK are the following. The board-level test method can reduce the worst case estimate for a board's single-event effect (SEE) sensitivity compared to the case of no test data, but only by a factor of ten. The estimated worst case rate of failure for untested boards is about 0.1 SEE/board-day. By employing the use of protons with energies near or above 200 MeV, this rate can be safely reduced to 0.01 SEE/board-day, with only those SEEs with deep charge collection mechanisms rising this high. For general SEEs, such as static random-access memory (SRAM) upsets, single-event transients (SETs), single-event gate ruptures (SEGRs), and similar cases where the relevant charge collection depth is less than 10 μm, the worst case rate for SEE is below 0.001 SEE/board-day. Note that these bounds assume that no SEEs are observed during testing. When SEEs are observed during testing, the board-level test method can establish a reliable event rate in some orbits, though all established rates will be at or above 0.001 SEE/board-day. The board-level test approach we explore has picked up support as a radiation hardness assurance technique over the last twenty years. The approach originally was used to provide a very limited verification of the suitability of low cost assemblies to be used in the very benign environment of the International Space Station (ISS), in limited reliability applications. Recently the method has been gaining popularity as a way to establish a minimum level of SEE performance of systems that require somewhat higher reliability performance than previous applications. This sort of application of the method suggests a critical analysis of the method is in order. This is also of current consideration because the primary facility used for this type of work, the Indiana University Cyclotron Facility (IUCF) (also known as the Integrated Science and Technology (ISAT) hall), has closed permanently, and the future selection of alternate test facilities is critically important. This document reviews the main theoretical work on proton testing of assemblies over the last twenty years. It augments this with review of reported data generated from the method and other data that applies to the limitations of the proton board-level test approach. When protons are incident on a system for test they can produce spallation reactions. From these reactions, secondary particles with linear energy transfers (LETs) significantly higher than the incident protons can be produced. These secondary particles, together with the protons, can simulate a subset of the space environment for particles capable of inducing single event effects (SEEs). The proton board-level test approach has been used to bound SEE rates, establishing a maximum possible SEE rate that a test article may exhibit in space. This bound is not particularly useful in many cases because the bound is quite loose. We discuss the established limit that the proton board-level test approach leaves us with. The remaining possible SEE rates may be as high as one per ten years for most devices. The situation is actually more problematic for many SEE types with deep charge collection. In cases with these SEEs, the limits set by the proton board-level test can be on the order of one per 100 days. Because of the limited nature of the bounds established by proton testing alone, it is possible that tested devices will have actual SEE sensitivity that is very low (e.g., fewer than one event in 1 × 10(exp 4) years), but the test method will only be able to establish the limits indicated above. This BoK further examines other benefits of proton board-level testing besides hardness assurance. The primary alternate use is the injection of errors. Error injection, or fault injection, is something that is often done in a simulation environment. But the proton beam has the benefit of injecting the majority of actual SEEs without risk of something being missed, and without the risk of simulation artifacts misleading the SEE investigation.
Guertin, Steven M.↗
A Comparison of Molecular and Histopathological Changes in Mouse Intestinal Tissue Following Whole-Body Proton- or Gamma-Irradiation
There are many consequences following exposure to the space radiation environment which can adversely affect the health of a crew member. Acute radiation syndrome (ARS) involving nausea and vomiting, damage to radio-sensitive tissue such as the blood forming organs and gastrointestinal tract, and cancer are some of these negative effects. The space radiation environment is ample with protons and contains gamma rays as well. Little knowledge exists to this point, however, regarding the effects of protons on mammalian systems; conversely several studies have been performed observing the effects of gamma rays on different animal models. For the research presented here, we wish to compare our previous work looking at whole-body exposure to protons using a mouse model to our studies of mice experiencing whole-body exposure to gamma rays as part of the radio-adaptive response. Radio-adaptation is a well-documented phenomenon in which cells exposed to a priming low dose of radiation prior to a higher dose display a reduction in endpoints like chromosomal aberrations, cell death, micronucleus formation, and more when compared to their counterparts receiving high dose-irradiation only. Our group has recently completed a radio-adaptive experiment with C57BL/6 mice. For both this study and the preceding proton research, the gastrointestinal tract of each animal was dissected four hours post-irradiation and the isolated small intestinal tissue was fixed in formalin for histopathological examination or snap-frozen in liquid nitrogen for RNA isolation. Histopathologic observation of the tissue using standard H&E staining methods to screen for morphologic changes showed an increase in apoptotic lesions for even the lowest doses of 0.1 Gy of protons and 0.05 Gy of gamma rays, and the percentage of apoptotic cells increased with increasing dose. A smaller percentage of crypts showed 3 or more apoptotic lesions in animals that received 6 Gy of gamma-irradiation compared to mice receiving only 2 Gy of protons. Tissue of the gastrointestinal tract was also homogenized and RNA was isolated for cDNA synthesis and real-time PCR analysis. Inspecting apoptotic lesions of the duodenum of the small intestine as an endpoint of damage did not reveal a radio-adaptive response in C57BL/6 mice at the four hour time point. Results of gene expression changes showed consistent up or down regulation of a number of genes for all of the exposure doses that may play a role in proton-induced apoptosis. Preliminary results of gene expression alterations as a result of gamma-irradiation revealed a wealth of genes involved in oxidative stress and antioxidant defense processes being up- or down-regulated only at the highest exposure dose of 6 Gy and the combined dose of 5 cGy with 6 Gy. Those animals undergoing only 5 cGy of gamma-irradiation showed very little modification of gene expression. Taken together these results lead us to conclude that protons cause more severe morphologic damage to the duodenum of the small intestine at a dose of 2 Gy than a higher dose of 6 Gy of gamma rays to the same organ. Both protons and gamma rays lead to significant variation in gene expression at high doses in the small intestine and these changes may provide insight into the mechanism of injury seen in the gastrointestinal tract following radiation exposure. Astronauts experiencing prolonged exposure to protons in the low Earth orbit and in deep space, and experiencing acute exposure to protons from solar particle events, may face biological consequences that will impact a mission s success. We will continue this work by studying, quantifying, and comparing damage due to protons and gamma rays in the small intestine as well as other organs in a time-dependent manner.
Purgason, Ashley↗
Predicting cutoff L-shells of solar protons using the GPPSn particle dataset
Solar energetic protons (SEPs) arriving at the Earth trigger severe radiation storms in the near-Earth space, directly impacting space missions operating at various altitudes. Therefore, monitoring SEP events and predicting the penetration depths of solar protons are critical for aerospace sectors. Building on previous efforts, here we demonstrate the feasibility of using proton measurements from the Global Prompt Proton Sensor network (GPPSn), enabled by Los Alamos National Laboratory developed combined X-ray dosimeters aboard GPS satellites, to characterize and predict the penetration of solar protons into the geomagnetic field. The inclined medium-Earth-orbits (MEOs) of the global GPS constellation offer a unique advantage of allowing simultaneous measurements of penetrating solar protons inside both open- and closed-field line regions. Therefore, the L-profiles of ∼10s–100 MeV solar protons and their associated cutoff L-shells can be determined from the GPPSn dataset, using predefined threshold proton flux values rather than traditional flux ratios. After examining a list of SEP event intervals across solar cycles 23, 24 and 25—including the 2024 Mother’s Day superstorm, we showcase how the latest GPPSn proton dataset (release v1.10), reprocessed and calibrated, can not only be used to monitor solar proton distributions inside the dynamic geomagnetic field for individual events, but also to derive a new empirical model linking cutoff L-shells with several key space weather parameters. This newly developed SEPCL-MEO model demonstrates high predictive performance; for example, predictions for > 30 MeV solar protons yield a correlation coefficient of 0.85 and performance efficiency of 0.67 when validated against GPPSn observations. Results from this pilot study underscores the scientific and operational value of the GPPSn dataset, and this dataset—when paired with machine-learning techniques—can play a critical role in observing and predicting the effects of future incoming SEP events, including extreme ones.
58 GEOSCIENCES↗
Deciphering Reaction Mechanisms of Molecular Proton Reduction Catalysts with Cyclic Voltammetry: Kinetic vs Thermodynamic Control
The kinetics and thermodynamics of elementary reaction steps involved in the catalytic reduction of protons to hydrogen define the reaction landscape for catalysis. The mechanisms can differ in the order of the elementary proton transfer, electron transfer, and bond-forming steps and can be further differentiated by the sites at which protons and electrons localize. Access to fully elucidated mechanistic, kinetic, and thermochemical details of molecular catalysts is crucial to facilitate the development of new catalysts that operate with optimal efficiency, selectivity, and durability. The mechanism by which a catalyst operates, as well as the kinetics and thermodynamics associated with the individual steps, can often be accessed through electroanalytical studies. Here, this Account details the application of cyclic voltammetry to interrogate reaction mechanisms and quantify the kinetics and thermodynamics of elementary reaction steps for a series of molecular catalysts that mediate electrochemical proton reduction. I distinguish the limiting scenarios wherein a catalyst operates under kinetic control vs thermodynamic control, with a focus on detecting how cyclic voltammetry features shift with proton source strength and concentration, as well as scan rate. For systems that operate under kinetic control, catalytic currents are observed at, or slightly positive toward, the formal potential for the redox process that triggers catalysis. Under thermodynamic control, catalytic responses shift as a function of the proton source pKa and effective pH of the solution. After drawing this distinction, we introduce the appropriate voltammetry experiments and accompanying analytical expressions for extracting key metrics from the data. To illustrate analytical strategies to quantify elementary reaction steps of catalysts operating under kinetic control, I describe our studies of proton reduction catalysts Co(dmgBF 2 ) 2 (CH 3 CN) 2 (dmgBF 2 = difluoroboryl-dimethylglyoxime) and [Ni(P 2 Ph N 2 Ph ) 2 ] 2+ (P 2 Ph N 2 Ph = 1,5-phenyl-3,7-phenyl-1,5-diaza-3,7-diphosphacyclooctane). Here, peak shift analysis, foot-of-the-wave analysis, and plateau current analysis are applied to data sets wherein voltammetric response are recorded as a function of catalyst concentration, proton source concentration, proton source strength, and scan rate to quantify rate constants for elementary proton transfer and bond-forming steps in a catalytic cycle. Further, the case study of [Ni(P 2 Ph N 2 Ph ) 2 ] 2+ illustrates how complementary spectroscopic methods can bolster the mechanistic assignment. Collectively, these two studies showcase how detailed mechanistic studies inform on rate-limiting elementary steps in catalysis and other key processes underpinning catalysis. Second, I present analytical strategies to interrogate catalysts operating under thermodynamic control, centered on the case study of [Ni II (P 2 Ph N 2 Bn ) 2 ] 2+ (P 2 Ph N 2 Bn = 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane). Here, the application of nonaqueous Pourbaix theory to extract thermodynamic information is introduced, and the construction of a coupled Pourbaix diagram is detailed. This study identifies ligand-based protonation as the key process that places catalysis under thermodynamic control and influences the reaction mechanism. Together, the work detailed in this Account showcases the utility of electroanalytical methods to disentangle complex reaction mechanisms and extract key thermochemical and kinetic parameters for elementary steps of catalysis. Through detailed presentation of the key analytical expressions that underpin these analyses, this Account seeks to facilitate the adoption of cyclic voltammetry by the community to fully extract kinetic, thermochemical, and mechanistic information on electrochemical small-molecule activation.
catalysts↗
Pickup protons and pressure-balanced structures: Voyager 2 observations in merged interaction regions near 35 AU
Five pressure-balanced structures, each with a scale of the order of a few hundredths of an astonomical unit (AU), were identified in two merged interaction regions (MIRs) near 35 AU in the Voyager 2 plasma and magnetic field data. They include a tangential discountinuity, simple and complex magnetic holes, slow correlated variations among the plasma and magnetic field parameters, and complex uncorrelated variations among the parameters. The changes in the magnetic pressure in these events are balanced by changes in the pressure of interstellar pickup protons. Thus the pickup protons probably play a major role in the dynamics of the MIRs. The solar wind proton and electron pressures are relatively unimportant in the MIRs at 35 AU and beyond. The region near 35 AU is transition region: the Sun is the source of the magnetic field, but the interstellar medium in source of pickups protons. Relative to the solar wind proton guyroadius, the thicknesses of the discontinuities and simple magnetic holes observed near 35 AU are at least an order of magnitude greater than those observed at 1 AU. However, the thicknesses of the tangential discontinuity and simple magnetic holes observed near 35 AU (in units of the pickup proton Larmor radius) are comparable to those observed at 1 AU (in units of the solar wind proton gyroradius). Thus the gyroradius of interstellar pickup protons controls the thickness of current sheets near 35 AU. We determine the interstellar pickup proton pressure in the PBSs. Using a model for the pickup proton temperature, we estimate that the average interstellar pickup proton pressure, temperature, and density in the MIRs at 35 AU are (0.53 +/- 0.14) x 10(exp -12) erg/cu cm, (5.8 +/- 0.4) x 10(exp 6) K and (7 +/- 2) x 10(exp -4)/cu cm.
Burlaga, L. F.↗
Spectral Analyses and Radiation Exposures from Several Ground-Level Enhancement (GLE) Solar Proton Events: A Comparison of Methodologies
Several methods for analyzing the particle spectra from extremely large solar proton events, called Ground-Level Enhancements (GLEs), have been developed and utilized by the scientific community to describe the solar proton energy spectra and have been further applied to ascertain the radiation exposures to humans and radio-sensitive systems, namely electronics. In this paper 12 GLEs dating back to 1956 are discussed, and the three methods for describing the solar proton energy spectra are reviewed. The three spectral fitting methodologies are EXP [an exponential in proton rigidity (R)], WEIB [Weibull fit: an exponential in proton energy], and the Band function (BAND) [a double power law in proton rigidity]. The EXP and WEIB methods use low energy (MeV) GLE solar proton data and make extrapolations out to approx.1 GeV. On the other hand, the BAND method utilizes low- and medium-energy satellite solar proton data combined with high-energy solar proton data deduced from high-latitude neutron monitoring stations. Thus, the BAND method completely describes the entire proton energy spectrum based on actual solar proton observations out to ~10 GeV. Using the differential spectra produced from each of the 12 selected GLEs for each of the three methods, radiation exposures are presented and discussed in detail. These radiation exposures are then compared with the current 30-day and annual crew exposure limits and the radiation effects to electronics.
Atwell, William↗