Initial Proton Research Articles

On the Acceleration of the Young Solar Wind from Different Source Regions

The acceleration of the young solar wind is studied using the first 17 encounters of the Parker Solar Probe. We identify wind intervals from different source regions: coronal hole (CH) interiors, streamers, and low-Mach-number boundary layers (LMBLs), i.e., the inner boundaries of coronal holes. We present their statistical trends in the acceleration process. Most of the observations can be reproduced by a two-fluid hydrodynamic model with realistic corona temperatures. In such a model, the solar wind is accelerated by the combined thermal pressures of protons and electrons, but it is mainly the difference in the proton pressure that leads to the difference in the solar wind speed. The proton pressure is the highest in the fastest CH wind, with a high initial proton temperature that decreases slowly. It is lower in the relatively slow LMBL wind and the lowest in the slowest streamer wind. The proton temperature is quadratically correlated with the wind speed when scaled to the same distance. In contrast, the electron temperature shows no significant differences for different wind types or wind speeds, indicating more similar contributions from the electron pressure. The model gives reasonable locations for the sonic critical point, which is on average at 3.6–7.3 Rs and can also extend to large distances when the proton temperature is extremely low, as in the LMBL wind. In addition to the thermal pressure, we raise the possibility that Alfvén waves may contribute to the solar wind acceleration, especially for the fast CH wind.

Influence of Initial Proton Energy on the Nonlinear Interactions Between Ring Current Protons and He+ Band EMIC Waves

AbstractThe energy of ring current protons is believed to influence the pitch angle scattering due to electromagnetic ion cyclotron (EMIC) waves and is typically analyzed using quasi‐linear theory. However, nonlinear behavior becomes significant as the wave amplitude intensifies. In this study, we aim to explore how the nonlinear behavior depends on the initial proton energy under various background plasma density conditions. The frequency of EMIC waves is 0.96ΩHe (where ΩHe is the gyrofrequency of He+ at the equator). It is found that the higher energy protons with nonlinear phase trapping experience more resonances, causing these trapped protons to move away from the loss cone more quickly compared to lower energy protons. However, the proportion of phase‐trapped protons significantly decreases as the initial proton energy increases. This declining trend is more pronounced for a background plasma condition in the plasmapause than within the plasmasphere. The number of phase‐trapped protons goes to zero as initial proton energy increases to above approximately 60 keV. Additionally, nonlinear phase bunching is more pronounced for lower energy protons (e.g., below 60 keV) compared to higher energy protons. As a result, both nonlinear phase trapping and phase bunching contribute to larger standard deviations in the net changes of equatorial pitch angle (Δαeq), suggesting a larger pitch agnel diffusion coefficient compared to the prediction of quasi‐linear theory.

Theoretical study of the π+p→pa0+ϕ reaction

We study the production of hyperon resonances in the π+p→pa0+ϕ reaction within an effective Lagrangian approach. The model includes the production of Δ(1940) and Δ(1920) in the intermediate state excited by the ρ and p exchanges between the initial proton and π meson. Because of the large contribution of ρ exchange in Δ(1940) production, Δ(1940) is found to be a significant contribution near the threshold in this reaction. We provide total and differential cross section predictions for the reaction and discuss the possible influence of model parameters, off-shell effects, and branching ratios for Δ(1940)→pa0 and Δ(1920)→pa0 decays, which will be useful in future experimental studies. This reaction can provide a platform for studying the features of Δ(1940) resonance, especially the coupling to the pa0 channel. Published by the American Physical Society 2024

Mechanism of the Oxidative Ring-Closure Reaction during Gliotoxin Biosynthesis by Cytochrome P450 GliF.

During gliotoxin biosynthesis in fungi, the cytochrome P450 GliF enzyme catalyzes an unusual C-N ring-closure step while also an aromatic ring is hydroxylated in the same reaction cycle, which may have relevance to drug synthesis reactions in biotechnology. However, as the details of the reaction mechanism are still controversial, no applications have been developed yet. To resolve the mechanism of gliotoxin biosynthesis and gain insight into the steps leading to ring-closure, we ran a combination of molecular dynamics and density functional theory calculations on the structure and reactivity of P450 GliF and tested a range of possible reaction mechanisms, pathways and models. The calculations show that, rather than hydrogen atom transfer from the substrate to Compound I, an initial proton transfer transition state is followed by a fast electron transfer en route to the radical intermediate, and hence a non-synchronous hydrogen atom abstraction takes place. The radical intermediate then reacts by OH rebound to the aromatic ring to form a biradical in the substrate that, through ring-closure between the radical centers, gives gliotoxin products. Interestingly, the structure and energetics of the reaction mechanisms appear little affected by the addition of polar groups to the model and hence we predict that the reaction can be catalyzed by other P450 isozymes that also bind the same substrate. Alternative pathways, such as a pathway starting with an electrophilic attack on the arene to form an epoxide, are high in energy and are ruled out.

Boundary of the Distribution of Solar Wind Proton Beta versus Temperature Anisotropy

The frequency distribution of solar wind protons, measured in the vicinity of Earth’s orbit, is customarily plotted in (β ∥, T ⊥/T ∥) phase space. Here, T ⊥/T ∥ is the ratio of perpendicular and parallel temperatures, and β ∥ = 8π nT ∥/B 2 is the ratio of parallel thermal energy to background magnetic field energy, the so-called “parallel beta,” with ⊥ and ∥ denoting directions with respect to the ambient magnetic field. Such a frequency distribution, plotted as a two-dimensional histogram, forms a peculiar rhombic shape defined with an outer boundary in the said phase space. Past studies reveal that the threshold conditions for temperature anisotropy–driven plasma instability partially account for the boundary on the high-β ∥ side. The low-β ∥ side remains largely unexplained despite some efforts. Work by Vafin et al. recently showed that certain contours of collisional relaxation frequency, ν pp, when parameterized by T ⊥/T ∥ and β ∥, could match the overall shape of the left-hand boundary, thus suggesting that the collisional relaxation process might be closely related to the formation of the left-hand boundary. The present paper extends the analysis by Vafin et al. and carries out the dynamical computation of the collisional relaxation process for an ensemble of initial proton states with varying degrees of anisotropic temperatures. The final states of the relaxed protons are shown to closely match the observed boundary to the left of the (β ∥, T ⊥/T ∥) phase space. When coupled with a similar set of calculations for the ensemble in the collective instability regime, it is found that the combined collisional/collective effects provide the baseline explanation for the observation.

Hyperpolarized nuclear Overhauser enhancement of alanine methyl groups by doubly relayed proton exchange

Hyperpolarized water in dissolution dynamic nuclear polarization (dDNP) experiments has emerged as a promising method for enhancing nuclear magnetic resonance (NMR) signals, particularly in studies of proteins and peptides. Herein, we focus on the application of “proton exchange-doubly relayed” nuclear Overhauser effects (NOE) from hyperpolarized water to achieve positive signal enhancement of methyl groups in the side chain of an alanine-glycine peptide. In particular, we show a cascade hyperpolarization transfer. Initial proton exchange between solvent and amide introduces hyperpolarization into the peptide. Subsequently, intermolecular NOE relays the hyperpolarization first to Ala-Hα and then in a second step to the Ala-CH3 moiety. Both NOEs have negative signs. Hence, the twice-relayed NOE pathway leads to a positive signal enhancement of the methyl group with respect to the thermal equilibrium magnetization. This effect might indicate a way towards hyperpolarized water-based signal enhancement for methyl groups, which are often used for NMR studies of large proteins in solution.

Maxwell–Boltzmann-like neutron spectrum production for Maxwellian averaged cross sections measurements

Over the years, Maxwellian Averaged Cross Sections (MACS) have been measured by neutron activation, providing a neutron energy spectrum resembling the one found inside the stars. Recently, a new method has been proposed to produce stellar spectra at different stellar temperatures (a Maxwell–Boltzmann neutron energy distribution), employing the 7Li(p,n)7Be reaction. The method is based on the idea of shaping the proton beam energy to shape the neutron beam spectrum. This method was applied to obtain a well-reproduced Maxwell–Boltzmann neutron spectrum (MBNS) at kT=28 keV. An initial proton energy of 3170 keV and an aluminum foil as a proton energy shaper were employed. Differential angular neutron energy distributions from 0 to 90 degrees in 10∘ steps were measured to obtain the 0∘–90∘ integrated neutron spectrum over a neutron flight path of 50 cm. This manuscript reports on the measurement results, confirming the method’s capability, and suggests the approach for producing a high-quality MBNS at kT=28 keV.

Mechanism of Proton Transfer through the D1-E65/D2-E312 Gate during Photosynthetic Water Oxidation.

In photosystem II, the D1-E65/D2-E312 dyad in the Cl-1 channel has been proposed to play a pivotal role in proton transfer during water oxidation. However, the precise mechanism remains elusive. Here, the proton transfer mechanism within the Cl-1 channel was investigated using quantum mechanics/molecular mechanics calculations. The molecular vibration of the E65/E312 dyad and its deuteration effect revealed that the recently suggested stepwise proton transfer, i.e., initial proton release from the dyad followed by slow reprotonation, does not occur in the Cl-1 channel. Instead, proton transfer is proposed to take place via a conformational change at the E65/E312 dyad, acting as a gate. In its closed form, a proton is trapped within the dyad, preventing forward proton transfer. This closed form converts into the open form, where protonated D1-E65 provides a hydrogen bond to the water network, thereby facilitating fast Grotthuss-type proton transfer.

Modeling the Simultaneous Dropout of Energetic Electrons and Protons by Magnetopause Shadowing

AbstractMagnetopause shadowing (MPS) effect could drive a concurrent dropout of radiation belt electrons and ring current protons. However, its relative role in the dropout of both plasma populations has not been well quantified. In this work, we study the simultaneous dropout of MeV electrons and 100s keV protons during an intense geomagnetic storm in May 2017. A radial diffusion model with an event‐specific last closed drift shell is used to simulate the MPS loss of both populations. The model well captures the fast shadowing loss of both populations at L* > 4.6, while the loss at L* < 4.6, possibly due to the electromagnetic ion cyclotron wave scattering, is not captured. The observed butterfly pitch angle distributions of electron fluxes in the initial loss phase are well reproduced by the model. The initial proton losses at low pitch angles are underestimated, potentially also contributed by other mechanisms such as field line curvature scattering.

Mitigation of Discharged Capacity Decay and Volume Variation in Vanadium Redox Flow Batteries By Modifying Electrolytes Composition

Vanadium redox flow battery (VRFB) is a promising technology for energy storage because of its independent energy to power ratio and long cycle life. However, VRFB commercialization is still hindered by some technological issues, among which the electrolyte imbalance caused by the undesired vanadium-ions and water transport through the membrane. These phenomena result in battery capacity loss, that can be recovered with periodic re-balancing procedures, thus increasing operating and maintenance costs.In the literature different studies have been dedicated to the analysis of ions and water crossover. In particular, Oh et al [1] evidenced that water and vanadium ions transport across the separator are strictly related. Shin et al [2] tried experimentally to mitigate water imbalance through a modified preparation of the electrolytes; however, the proposed mitigations were experimentally verified for just one charge-discharge cycle.In this work, combining experimental and modelling activity, the evolution of discharged capacity and electrolyte volume were first investigated and then mitigated modifying electrolytes composition for hundreds of cycles. In addition, to increase the validity of the obtained results, three different Solvay® membranes were tested: E98-05 (EW 980, thickness 50 mm), E87-05 (EW 870, thickness 50 mm) and E98-09 (EW 980, thickness 90 mm). Cycles with fixed cut-off voltages at 0.1 A cm-2 were performed in a 25 cm2 cell employing carbon felt electrodes (Sigracell® GFD 2.5 EA thermal activated).Adopting commercial electrolyte, the discharged capacity of the battery dramatically decreased in its first phase of operations, while electrolytes volume continuously varied until the end of the test, as reported in figure 1B for E98-05. This behaviour was showed by all the three different membranes, regardless their thickness or equivalent weight. Thanks to a preliminary modelling analysis with a 1D VRFB physical model, the causes of the initial capacity decay were fully understood and three different mitigation strategies obtained through the modification of electrolyte preparation were proposed and experimentally validated.The first one consisted in the reduction of the initial proton concentration difference between anolyte and catholyte, obtained by increasing the acid molarity at negative side. This led to the mitigation of the initial capacity decay. The second one consisted in the increase of the proton concentration in both the catholyte and anolyte, obtained by increasing their acid molarity. This led to the mitigation of the initial capacity decay and the reduction of the electrolyte volume variation in time.The third mitigation strategy combined the beneficial effect of reducing the initial proton concentration difference between anolyte and catholyte and the one of increasing the proton concentrations in both the electrolytes. The results were promising: as can be seen in figure 1, with E98-05 the initial capacity decay was completely mitigated and no volume variation was experienced in more than 200 cycles. The effectiveness of this mitigation strategy was experimentally validated successfully also with E98-09 and E87-05. Figure 1 - charge-discharge cycle with E98-05 using modified electrolytes: A) discharged capacity; B) electrolyte volume variation.

Simulation study of protoacoustics as a real-time in-line dosimetry tool for FLASH proton therapy.

Applying ultra-high dose rates to radiation therapy, otherwise known as FLASH, has been shown to be just as effective while sparing more normal tissue compared to conventional radiation therapy. However, there is a need for a dosimeter that is able to detect such high instantaneous dose, particularly in vivo. To fulfill this need, protoacoustics is introduced, which is an in vivo range verification method with submillimeter accuracy. The purpose of this work is to demonstrate the feasibility of using protoacoustics as a method of in vivo real-time monitoring during FLASH proton therapy and investigating the resulting protoacoustic signal when dose per pulse and pulsewidth are varied through multiple simulation studies. The dose distribution of a proton pencil beam was calculated through a Monte Carlo toolbox, TOPAS. Next, the k-Wave toolbox in MATLAB was used for performing protoacoustic simulations, where the initial proton dose deposition was inputted to model acoustic propagations, which were also used for reconstructions. Simulations involving the manipulation of the dose per pulse and pulsewidth were performed, and the temporal and spatial resolution for protoacoustic reconstructions were investigated as well. A 3D reconstruction was performed with a multiple beam spot profile to investigate the spatial resolution as well as determine the feasibility of 3D imaging with protoacoustics. Our results showed consistent linearity in the increasing dose-per-pulse, even up to rates considered for FLASH. The simulations and reconstructions were performed for a range of pulsewidths from 0.1 to 10μs. The results show the characteristics of the proton beam after convolving the protoacoustic signal with the varying pulsewidths. 3D reconstruction was successfully performed with each beam being distinguishable using an 8cm×8cm planar array. These simulation results show that measurements using protoacoustics has the potential for in vivo dosimetry in FLASH therapy during patient treatments in real time. Through this simulation study, the use of protoacoustics in FLASH therapy was verified and explored through observations of varying parameters, such as the dose per pulse and pulsewidth. 2D and 3D reconstructions were also completed. This study shows the significance of using protoacoustics and provides necessary information, which can further be explored in clinical settings.

Risk factors for symptom relapse in patients with Los Angeles Grade A/B erosive esophagitis

AbstractRecurrence of reflux symptoms following discontinuing proton pump inhibitor therapy is a common problem in the treatment of gastroesophageal reflux disease. We aim (1) to examine the cumulative 12‐week incidence of symptom relapse following 8‐week proton pump inhibitor therapy in patients with Los Angeles grade A/B erosive esophagitis and (2) to search the risk factors predicting symptom relapse in the treatment of erosive esophagitis. From June 2010 to May 2019, patients with Los Angeles Grade A/B erosive esophagitis receiving esomeprazole therapy (40 mg qd) for 8 weeks followed by complete symptom resolution were included in this study. Subjects received on‐demand esomeprazole treatment for 12 weeks and underwent prospective follow‐up for reflux symptoms. 12‐week cumulative incidence of symptom relapse was assessed, and predictive risk factors for symptom relapse were determined by multivariate analysis. 219 patients with Los Angeles Grade A/B erosive esophagitis who achieved complete symptom resolution following 8‐week esomeprazole therapy were enrolled. During the 12‐week follow‐up period, 110 patients (50.2%) developed symptom relapse. Univariate analysis showed that symptom relapse was significantly associated with advanced age, smoking, and the presence of heartburn (p = .003, .015, and .042, respectively). Multivariate analysis with stepwise logistic regression showed that only advanced age (95% confidence interval [CI]: 1.45–5.15) and smoking (95% CI: 1.30–6.58) were independent factors predicting symptom relapse with odds ratios of 2.74 and 2.92, respectively. The 12‐week cumulative incidence of symptom relapse following initial proton pump inhibitor treatment in patients with Los Angeles grade A/B erosive esophagitis is 50.2%. Advanced age and smoking are independent risk factors predicting symptom relapse following treatment in patients with mild erosive esophagitis.

Assessment of neurotransmitter imbalances within the anterior cingulate cortex in women with primary dysmenorrhea: An initial proton magnetic resonance spectroscopy study

PurposeThe neural pathophysiology underlying primary dysmenorrhea (PDM), which leads to poor mode and changes in central pain modulatory systems, remains largely unknown. The objective of this study was to investigate the changes in glutamate/glutamine (Glx) and gamma-aminobutyric acid (GABA+) levels within anterior cingulate cortex (ACC), and their associations with clinical indicators in PDM women. MethodsUsing 3 T proton magnetic resonance spectroscopy (1H-MRS), we acquired and compared ACC-Glx and ACC-GABA+ levels in PDMs (N = 41) and age- and education-matched healthy controls (HCs) (N = 39) during both the menstrual and periovulatory phases, and between menstrual and periovulatory phases within each group. Total creatine (Cr referencing) level was used as an endogenous reference. The correlations of ACC-neurotransmitter levels with clinical characteristics and the correlations of ACC-Glx with ACC-GABA+ levels in the two groups were analyzed. ResultsCompared to HCs or the periovulatory phase, PDMs exhibited significantly increased ACC-Glx levels (p < 0.05) during the menstrual phase. Positive correlations between GABA+ and Glx levels (r = 0.385, p = 0.025) were found in PDMs during the menstrual phase. ACC-GABA+ levels were associated with self-rating distress scale (SDS) scores (GABA+/Cr: r = 0.369, p = 0.045) and pain catastrophizing scale (PCS) scores (GABA+/Cr: r = 0.373, p = 0.042) in PDM group in only the menstrual phase. ConclusionOur study represents the first report of ACC-GABA+/Glx imbalances in PDMs during the menstrual phase, which may underlie the mechanisms mediating depression and painful catastrophic symptoms.

Mechanism of Nitrogen Reduction to Ammonia in a Diiron Model of Nitrogenase.

Nitrogenase is a fascinating enzyme in biology that reduces dinitrogen from air to ammonia through stepwise reduction and protonation. Despite it being studied in detail by experimental and computational groups, there are still many unknown factors in the catalytic cycle of nitrogenase, especially related to the addition of protons and electrons and their order. A recent biomimetic study characterized a potential dinitrogen-bridged diiron cluster as a synthetic model of nitrogenase. Using strong acid and reductants, the dinitrogen was converted into ammonia molecules, but details of the mechanism remains unknown. In particular, it was unclear from the experimental studies whether the proton and electron transfer steps are sequential or alternating. Moreover, the work failed to establish what the function of the diiron core is and whether it split into mononuclear iron fragments during the reaction. To understand the structure and reactivity of the biomimetic dinitrogen-bridged diiron complex [(P2P'PhFeH)2(μ-N2)] with triphenylphosphine ligands, we performed a density functional theory study. Our computational methods were validated against experimental crystal structure coordinates, Mössbauer parameters, and vibrational frequencies and show excellent agreement. Subsequently, we investigated the alternating and consecutive addition of electrons and protons to the system. The calculations identify a number of possible reaction channels, namely, same-site protonation, alternating protonation, and complex dissociation into mononuclear iron centers. The calculations show that the overall mechanism is not a pure sequential set of electron and proton transfers but a mixture of alternating and consecutive steps. In particular, the first reaction steps will start with double proton transfer followed by an electron transfer, while thereafter, there is another proton transfer and a second electron transfer to give a complex whereby ammonia can split off with a low energetic barrier. The second channel starts with alternating protonation of the two nitrogen atoms, whereafter the initial double proton transfer, electrons and protons are added sequentially to form a hydrazine-bound complex. The latter split off ammonia spontaneously after further protonation. The various reaction channels are analyzed with valence bond and orbital diagrams. We anticipate the nitrogenase enzyme to operate with mixed alternating and consecutive protonation and electron transfer steps.

A correction method for the incomplete dissociation of sulfuric acid in the Villermaux-Dushman reaction system

The Villermaux-Dushman reaction system is the most popular method for characterizing the micromixing performance of various reactors, which traditionally uses sulfuric acid as the proton source. However, the accurate initial proton concentration (IPC) in this system is hardly accessible owing to the two-step dissociation of the sulfuric acid, resulting in the inaccuracy of the segregation index (XS). In this work, a novel strategy was proposed to correct XS obtained by sulfuric acid as the proton resource via comparing with that obtained by perchloric acid. Under the same theoretical IPC, the micromixing experiments using sulfuric acid and perchloric acid were conducted in different types of reactors, respectively. The conclusions were consistent that an increase of approximately 1.3 times in XS was observed using perchloric acid relative to sulfuric acid. Hence, 1.3 could be considered as the correction coefficient to acquire the exact XS when sulfuric acid, with the concentration ranges from 0.05 to 0.195 mol/L, was used as the proton source. The deviation between the corrected and experimental XS was within ±15%. Overall, this work provides a secure and feasible strategy to accurately evaluate the micromixing performance.

Ultrafast Proton Transfer Pathways Mediated by Amphoteric Imidazole

Imidazole, being an amphoteric molecule, can act both as an acid and as a base. This property enables imidazole, as an essential building block, to effectively facilitate proton transport in high-temperature proton exchange membrane fuel cells and in proton channel transmembrane proteins, enabling those systems to exhibit high energy conversion yields and optimal biological function. We explore the amphoteric properties of imidazole by following the proton transfer exchange reaction dynamics with the bifunctional photoacid 7-hydroxyquinoline (7HQ). We show with ultrafast ultraviolet-mid-infrared pump-probe spectroscopy how for imidazole, in contrast to expectations based on textbook knowledge of acid-base reactivity, the preferential reaction pathway is that of an initial proton transfer from 7HQ to imidazole, and only at a later stage a transfer from imidazole to 7HQ, completing the 7HQ tautomerization reaction. An assessment of the molecular distribution functions and first-principles calculations of proton transfer reaction barriers reveal the underlying reasons for our observations.

Effect of the initial energy layer and spot placement parameters on IMPT delivery efficiency and plan quality.

Improving efficiency of intensity modulated proton therapy (IMPT) treatment can be achieved by shortening the beam delivery time. The purpose of this study is to reduce the delivery time of IMPT, while maintaining the plan quality, by finding the optimal initial proton spot placement parameters. Seven patients previously treated in the thorax and abdomen with gated IMPT and voluntary breath-hold were included. In the clinical plans, the energy layer spacing (ELS) and spot spacing (SS) were set to 0.6-0.8 (as a scale factor of the default values). For each clinical plan, we created four plans with ELS increased to 1.0, 1.2, 1.4, and SS to 1.0 while keeping all other parameters unchanged. All 35 plans (130 fields) were delivered on a clinical proton machine and the beam delivery time was recorded for each field. Increasing ELS and SS did not cause target coverage reduction. Increasing ELS had no effect on critical organ-at-risk (OAR) doses or the integral dose, while increasing SS resulted in slightly higher integral and selected OAR doses. Beam-on times were 48.4±9.2 (range: 34.1-66.7) seconds for the clinical plans. Time reductions were 9.2±3.3 s (18.7±5.8%), 11.6±3.5 s (23.1±5.9%), and 14.7±3.9 s (28.9±6.1%) when ELS was changed to 1.0, 1.2, and 1.4, respectively, corresponding to 0.76-0.80 s/layer. SS change had a minimal effect (1.1±1.6 s, or 1.9±2.9%) on the beam-on time. Increasing the energy layers spacing can reduce the beam delivery time effectively without compromising IMPT plan quality; increasing the SS had no meaningful impact on beam delivery time and resulted in plan-quality degradation in some cases.

Concerted primary proton transfer reactions in a thermophilic rhodopsin studied by time-resolved infrared spectroscopy at high temperature

The primary proton transfer reactions of thermophilic rhodopsin, which was first discovered in an extreme thermophile, Thermus thermophilus JL-18, were investigated using time-resolved Fourier transform infrared spectroscopy at various temperatures ranging from 298 to 343 K (25 to 70 °C) and proton transport activity analysis. The analyses were performed using counterion (D95E, D95N, D229E, and D229N) and proton donor mutants (E106D and E106Q) as well. First, the initial proton transfer from the protonated retinal Schiff base (PRSB) to D95 was identified. The temperature dependency showed that the proton transfer reaction in the intermediate states dramatically changed above 318 K (45 °C). In addition, the proton transfer reaction correlated well with the structural change from turn to β-strand in the protein moiety, suggesting that this step may be regulated by the rigidity of the loop region. We also elucidated that the proton transfer reaction from proton donor E106 to the retinal Schiff base occurred synchronously with the primary proton transfer from the PRSB to D95. Surprisingly, we discovered that the direction of proton transfer was regulated by the secondary counterion, D229. Comparative analysis of Gloeobacter rhodopsin from the mesophile, Gloeobacter violaceus, highlighted that the primary proton transfer reactions in thermophilic rhodopsin were optimized at high temperatures partly due to the specific turn to β-strand structural change. This was not observed in Gloeobacter rhodopsin and other related proteins such as bacteriorhodopsin.

Reconstruction of thermoacoustic emission sources induced by proton irradiation using numerical time reversal

Objective. Mapping of dose delivery in proton beam therapy can potentially be performed by analyzing thermoacoustic emissions measured by ultrasound arrays. Here, a method is derived and demonstrated for spatial mapping of thermoacoustic sources using numerical time reversal, simulating re-transmission of measured emissions into the medium. Approach. Spatial distributions of thermoacoustic emission sources are shown to be approximated by the analytic-signal form of the time-reversed acoustic field, evaluated at the time of the initial proton pulse. Given calibration of the array sensitivity and knowledge of tissue properties, this approach approximately reconstructs the acoustic source amplitude, equal to the product of the time derivative of the radiation dose rate, mass density, and Grüneisen parameter. This approach was implemented using two models for acoustic fields of the array elements, one modeling elements as line sources and the other as rectangular radiators. Thermoacoustic source reconstructions employed previously reported measurements of emissions from proton energy deposition in tissue-mimicking phantoms. For a phantom incorporating a bone layer, reconstructions accounted for the higher sound speed in bone. Dependence of reconstruction quality on array aperture size and signal-to-noise ratio was consistent with previous acoustic simulation studies. Main results. Thermoacoustic source distributions were successfully reconstructed from acoustic emissions measured by a linear ultrasound array. Spatial resolution of reconstructions was significantly improved in the azimuthal (array) direction by incorporation of array element diffraction. Source localization agreed well with Monte Carlo simulations of energy deposition, and was improved by incorporating effects of inhomogeneous sound speed. Significance. The presented numerical time reversal approach reconstructs thermoacoustic sources from proton beam radiation, based on straightforward processing of acoustic emissions measured by ultrasound arrays. This approach may be useful for ranging and dosimetry of clinical proton beams, if acoustic emissions of sufficient amplitude and bandwidth can be generated by therapeutic proton sources.

Stellar neutron spectra at 28 keV thermal temperature

To calculate the reaction rate in the neutron capture processes it is common to work with the Maxwellian Average Cross Section (MACS), defined as the reaction rate scaled by the most probable neutron velocity of the Maxwell-Boltzmann distribution. For MACS determination with lower uncertainties, the need of a neutron spectrum as similar as possible to the stellar one motivates this work. At the CN Van der Graaff accelerator of the LNLINFN laboratories, an experimental measurement is performed to produce a Maxwell-Boltzmann neutron spectrum with 28 keV of thermal temperature. The neutron time-of-flight spectrometry is implemented to determine 0°-90° integrated neutron spectrum, employing the 7Li(p,n)7Be reaction as neutron source, an initial proton energy of 3.17 MeV and a 51 µm thickness aluminum foil, as proton energy shaper.