Molecular projectile effects for kinetic electron emission from carbon- and metal-surfaces bombarded by slow hydrogen ions

Science.gov (United States)

Cernusca, S.; Winter, HP.; Aumayr, F.; Díez Muiño, R.; Juaristi, J. I.

2003-04-01

Total yields for kinetic electron emission (KE) have been determined for impact of hydrogen monomer-, dimer- and trimer-ions (impact energy armour in magnetic fusion devices. The data are compared with KE yields for impact of same projectile ions on atomically clean highly oriented pyrolytic graphite and polycrystalline gold. We discuss KE yields for the different targets if bombarded by equally fast molecular and atomic ions in view to "projectile molecular effects" (different yields per proton for equally fast atomic and molecular ions), which are expected from calculated electronic projectile energy losses in these target materials.

Proton and Ion Sources for High Intensity Accelerators

CERN Multimedia

Scrivens, R

2004-01-01

Future high intensity ion accelerators, including the Spallation Neutron Source (SNS), the European Spallation Source (ESS), the Superconducting Proton Linac (SPL) etc, will require high current and high duty factor sources for protons and negative hydrogen ions. In order to achieve these goals, a comparison of the Electron Cyclotron Resonance, radio-frequency and Penning ion sources, among others, will be made. For each of these source types, the present operational sources will be compared to the state-of-the-art research devices with special attention given to reliability and availability. Finally, the future research and development aims will be discussed.

MOLECULAR VALIDATED MODEL FOR ADSORPTION OF PROTONATED DYE ON LDH

Directory of Open Access Journals (Sweden)

B. M. Braga

Full Text Available Abstract Hydrotalcite-like compounds are anionic clays of scientific and technological interest for their use as ion exchange materials, catalysts and modified electrodes. Surface phenomenon are important for all these applications. Although conventional analytical methods have enabled progress in understanding the behavior of anionic clays in solution, an evaluation at the atomic scale of the dynamics of their ionic interactions has never been performed. Molecular simulation has become an extremely useful tool to provide this perspective. Our purpose is to validate a simplified model for the adsorption of 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid (MBSA, a prototype molecule of anionic dyes, onto a hydrotalcite surface. Monte Carlo simulations were performed in the canonical ensemble with MBSA ions and a pore model of hydrotalcite using UFF and ClayFF force fields. The proposed molecular model has allowed us to reproduce experimental data of atomic force microscopy. Influences of protonation during the adsorption process are also presented.

Formation and fragmentation of quadruply charged molecular ions by intense femtosecond laser pulses.

Science.gov (United States)

Yatsuhashi, Tomoyuki; Nakashima, Nobuaki

2010-07-22

We investigated the formation and fragmentation of multiply charged molecular ions of several aromatic molecules by intense nonresonant femtosecond laser pulses of 1.4 mum with a 130 fs pulse duration (up to 2 x 10(14) W cm(-2)). Quadruply charged states were produced for 2,3-benzofluorene and triphenylene molecular ion in large abundance, whereas naphthalene and 1,1'-binaphthyl resulted only in up to triply charged molecular ions. The laser wavelength was nonresonant with regard to the electronic transitions of the neutral molecules, and the degree of fragmentation was strongly correlated with the absorption of the singly charged cation radical. Little fragmentation was observed for naphthalene (off-resonant with cation), whereas heavy fragmentation was observed in the case of 1,1'-binaphthyl (resonant with cation). The degree of H(2) (2H) and 2H(2) (4H) elimination from molecular ions increased as the charge states increased in all the molecules examined. A striking difference was found between triply and quadruply charged 2,3-benzofluorene: significant suppression of molecular ions with loss of odd number of hydrogen was observed in the quadruply charged ions. The Coulomb explosion of protons in the quadruply charged state and succeeding fragmentation resulted in the formation of triply charged molecular ions with an odd number of hydrogens. The hydrogen elimination mechanism in the highly charged state is discussed.

Heavy ion and proton-induced single event multiple upset

International Nuclear Information System (INIS)

Reed, R.A.; Carts, M.A.; Marshall, P.W.

1997-01-01

Individual ionizing heavy ion events are shown to cause two or more adjacent memory cells to change logic states in a high density CMOS SRAM. A majority of the upsets produced by normally incident heavy ions are due to single-particle events that causes a single cell to upset. However, for grazing angles a majority of the upsets produced by heavy-ion irradiation are due to single-particle events that cause two or more cells to change logic states. Experimental evidence of a single proton-induced spallation reaction that causes two adjacent memory cells to change logic states is presented. Results from a dual volume Monte-Carlo simulation code for proton-induced single-event multiple upsets are within a factor of three of experimental data for protons at normal incidence and 70 degrees

Molecular structure studies by 3D imaging of fast ion beams

International Nuclear Information System (INIS)

Kanter, E.P.; Vager, Z.; Both, G.; Cooney, P.J.; Faibis, A.; Koenig, W.; Zabransky, B.J.; Zajfman, D.

1986-01-01

The use of the Coulomb-explosion technique combined with a radically new multi-particle detector, extremely thin film targets, and low-excitation ion source has enabled, for the first time, direct measurements of the complete stereochemistry of complex polyatomic molecular ions. We outline the methods used and present results for protonated acetylene (C 2 H 3 + ) and the methane cation (CH 4 + ) as examples. We demonstrate the techniques by which these methods can be generalized to determine directly vibrational motions in polyatomic molecules. 24 refs., 4 figs

Molecular projectile effects for kinetic electron emission from carbon- and metal-surfaces bombarded by slow hydrogen ions

International Nuclear Information System (INIS)

Cernusca, S.; Winter, H.P.; Aumayr, F.; Diez Muino, R.; Juaristi, J.I.

2003-01-01

Total yields for kinetic electron emission (KE) have been determined for impact of hydrogen monomer-, dimer- and trimer-ions (impact energy <10 keV) on atomically clean surfaces of carbon-fiber inforced graphite used as first-wall armour in magnetic fusion devices. The data are compared with KE yields for impact of same projectile ions on atomically clean highly oriented pyrolytic graphite and polycrystalline gold. We discuss KE yields for the different targets if bombarded by equally fast molecular and atomic ions in view to 'projectile molecular effects' (different yields per proton for equally fast atomic and molecular ions), which are expected from calculated electronic projectile energy losses in these target materials

Molecular projectile effects for kinetic electron emission from carbon- and metal-surfaces bombarded by slow hydrogen ions

CERN Document Server

Cernusca, S; Aumayr, F; Diez-Muino, R; Juaristi, J I

2003-01-01

Total yields for kinetic electron emission (KE) have been determined for impact of hydrogen monomer-, dimer- and trimer-ions (impact energy <10 keV) on atomically clean surfaces of carbon-fiber inforced graphite used as first-wall armour in magnetic fusion devices. The data are compared with KE yields for impact of same projectile ions on atomically clean highly oriented pyrolytic graphite and polycrystalline gold. We discuss KE yields for the different targets if bombarded by equally fast molecular and atomic ions in view to 'projectile molecular effects' (different yields per proton for equally fast atomic and molecular ions), which are expected from calculated electronic projectile energy losses in these target materials.

Laser-cooled atomic ions as probes of molecular ions

Energy Technology Data Exchange (ETDEWEB)

Brown, Kenneth R.; Viteri, C. Ricardo; Clark, Craig R.; Goeders, James E.; Khanyile, Ncamiso B.; Vittorini, Grahame D. [Schools of Chemistry and Biochemistry, Computational Science and Engineering and Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

2015-01-22

Trapped laser-cooled atomic ions are a new tool for understanding cold molecular ions. The atomic ions not only sympathetically cool the molecular ions to millikelvin temperatures, but the bright atomic ion fluorescence can also serve as a detector of both molecular reactions and molecular spectra. We are working towards the detection of single molecular ion spectra by sympathetic heating spectroscopy. Sympathetic heating spectroscopy uses the coupled motion of two trapped ions to measure the spectra of one ion by observing changes in the fluorescence of the other ion. Sympathetic heating spectroscopy is a generalization of quantum logic spectroscopy, but does not require ions in the motional ground state or coherent control of the ion internal states. We have recently demonstrated this technique using two isotopes of Ca{sup +} [Phys. Rev. A, 81, 043428 (2010)]. Limits of the method and potential applications for molecular spectroscopy are discussed.

Cooling of molecular ion beams

International Nuclear Information System (INIS)

Wolf, A.; Krohn, S.; Kreckel, H.; Lammich, L.; Lange, M.; Strasser, D.; Grieser, M.; Schwalm, D.; Zajfman, D.

2004-01-01

An overview of the use of stored ion beams and phase space cooling (electron cooling) is given for the field of molecular physics. Emphasis is given to interactions between molecular ions and electrons studied in the electron cooler: dissociative recombination and, for internally excited molecular ions, electron-induced ro-vibrational cooling. Diagnostic methods for the transverse ion beam properties and for the internal excitation of the molecular ions are discussed, and results for phase space cooling and internal (vibrational) cooling are presented for hydrogen molecular ions

Free energy for protonation reaction in lithium-ion battery cathode materials

International Nuclear Information System (INIS)

Benedek, R.; Thackeray, M. M.; van de Walle, A.

2008-01-01

Calculations are performed of free energies for proton-for-lithium-ion exchange reactions in lithium-ion battery cathode materials. First-principles calculations are employed for the solid phases and tabulated ionization potential and hydration energy data for aqueous ions. Layered structures, spinel LiMn 2 O 4 , and olivine LiFePO 4 are considered. Protonation is most favorable energetically in layered systems, such as Li 2 MnO 3 and LiCoO 2 . Less favorable are ion-exchange in spinel LiMn 2 O 4 and LiV 3 O 8 . Unfavorable is the substitution of protons for Li in olivine LiFePO 4 , because of the large distortion of the Fe and P coordination polyhedra. The reaction free energy scales roughly linearly with the volume change in the reaction

Antimatter production in proton-proton and heavy-ion collisions at ultrarelativistic energies

International Nuclear Information System (INIS)

Cleymans, J.; Kabana, S.; Kraus, I.; Oeschler, H.; Redlich, K.; Sharma, N.

2011-01-01

One of the striking features of particle production at high beam energies is the near-equal abundance of matter and antimatter in the central rapidity region. In this paper we study how this symmetry is reached as the beam energy is increased. In particular, we quantify explicitly the energy dependence of the approach to matter-antimatter symmetry in proton-proton and in heavy-ion collisions. Expectations are presented also for the production of more complex forms of antimatter such as antihypernuclei.

Thermomechanical response of Large Hadron Collider collimators to proton and ion beam impacts

Directory of Open Access Journals (Sweden)

Marija Cauchi

2015-04-01

Full Text Available The CERN Large Hadron Collider (LHC is designed to accelerate and bring into collision high-energy protons as well as heavy ions. Accidents involving direct beam impacts on collimators can happen in both cases. The LHC collimation system is designed to handle the demanding requirements of high-intensity proton beams. Although proton beams have 100 times higher beam power than the nominal LHC lead ion beams, specific problems might arise in case of ion losses due to different particle-collimator interaction mechanisms when compared to protons. This paper investigates and compares direct ion and proton beam impacts on collimators, in particular tertiary collimators (TCTs, made of the tungsten heavy alloy INERMET® 180. Recent measurements of the mechanical behavior of this alloy under static and dynamic loading conditions at different temperatures have been done and used for realistic estimates of the collimator response to beam impact. Using these new measurements, a numerical finite element method (FEM approach is presented in this paper. Sequential fast-transient thermostructural analyses are performed in the elastic-plastic domain in order to evaluate and compare the thermomechanical response of TCTs in case of critical beam load cases involving proton and heavy ion beam impacts.

The Generation of Dehydroalanine Residues in Protonated Polypeptides: Ion/Ion Reactions for Introducing Selective Cleavages

Science.gov (United States)

Peng, Zhou; Bu, Jiexun; McLuckey, Scott A.

2017-09-01

We examine a gas-phase approach for converting a subset of amino acid residues in polypeptide cations to dehydroalanine (Dha). Subsequent activation of the modified polypeptide ions gives rise to specific cleavage N-terminal to the Dha residue. This process allows for the incorporation of selective cleavages in the structural characterization of polypeptide ions. An ion/ion reaction within the mass spectrometer between a multiply protonated polypeptide and the sulfate radical anion introduces a radical site into the multiply protonated polypeptide reactant. Subsequent collisional activation of the polypeptide radical cation gives rise to radical side chain loss from one of several particular amino acid side chains (e.g., leucine, asparagine, lysine, glutamine, and glutamic acid) to yield a Dha residue. The Dha residues facilitate preferential backbone cleavages to produce signature c- and z-ions, demonstrated with cations derived from melittin, mechano growth factor (MGF), and ubiquitin. The efficiencies for radical side chain loss and for subsequent generation of specific c- and z-ions have been examined as functions of precursor ion charge state and activation conditions using cations of ubiquitin as a model for a small protein. It is noted that these efficiencies are not strongly dependent on ion trap collisional activation conditions but are sensitive to precursor ion charge state. Moderate to low charge states show the greatest overall yields for the specific Dha cleavages, whereas small molecule losses (e.g., water/ammonia) dominate at the lowest charge states and proton catalyzed amide bond cleavages that give rise to b- and y-ions tend to dominate at high charge states. [Figure not available: see fulltext.

Radiation Environment Model of Protons and Heavier Ions at Jupiter

Science.gov (United States)

Sierra, Luz Maria Martinez; Garrett, Henry B.; Jun, Insoo

2015-01-01

We performed an in depth study of the methods used to review the geometric factors (GF) and sensitivity to charge particles of the Energetic Particle Detector instrument on board the Galileo Spacecraft. Monte Carlo simulations were performed to understand the interactions of electrons and ions (i. e., protons and alphas) with the sensitive regions of the instrument. The DC0 and B0 channels were studied with the intention of using them to update the jovian proton radiation model. The results proved that the B0 is a clean proton chanel without any concerns for contamination by heavier ions and electrons. In contrast, DC0 was found to be contaminated by electrons. Furthermore, we also found out that the B2 channel is a clean alpha particle channel (in other words, no contamination by electrons and/or protons).

Experimental control of the beam properties of laser-accelerated protons and carbon ions

Energy Technology Data Exchange (ETDEWEB)

Amin, Munib

2008-12-15

The laser generation of energetic high quality beams of protons and heavier ions has opened up the door to a plethora of applications. These beams are usually generated by the interaction of a short pulse high power laser with a thin metal foil target. They could already be applied to probe transient phenomena in plasmas and to produce warm dense matter by isochoric heating. Other applications such as the production of radioisotopes and tumour radiotherapy need further research to be put into practice. To meet the requirements of each application, the properties of the laser-accelerated particle beams have to be controlled precisely. In this thesis, experimental means to control the beam properties of laser-accelerated protons and carbon ions are investigated. The production and control of proton and carbon ion beams is studied using advanced ion source designs: Experiments concerning mass-limited (i.e. small and isolated) targets are conducted. These targets have the potential to increase both the number and the energy of laser-accelerated protons. Therefore, the influence of the size of a plane foil target on proton beam properties is measured. Furthermore, carbon ion sources are investigated. Carbon ions are of particular interest in the production of warm dense matter and in cancer radiotherapy. The possibility to focus carbon ion beams is investigated and a simple method for the production of quasi-monoenergetic carbon ion beams is presented. This thesis also provides an insight into the physical processes connected to the production and the control of laser-accelerated ions. For this purpose, laser-accelerated protons are employed to probe plasma phenomena on laser-irradiated targets. Electric fields evolving on the surface of laser-irradiated metal foils and hollow metal foil cylinders are investigated. Since these fields can be used to displace, collimate or focus proton beams, understanding their temporal and spatial evolution is crucial for the design of

Experimental control of the beam properties of laser-accelerated protons and carbon ions

International Nuclear Information System (INIS)

Amin, Munib

2008-12-01

The laser generation of energetic high quality beams of protons and heavier ions has opened up the door to a plethora of applications. These beams are usually generated by the interaction of a short pulse high power laser with a thin metal foil target. They could already be applied to probe transient phenomena in plasmas and to produce warm dense matter by isochoric heating. Other applications such as the production of radioisotopes and tumour radiotherapy need further research to be put into practice. To meet the requirements of each application, the properties of the laser-accelerated particle beams have to be controlled precisely. In this thesis, experimental means to control the beam properties of laser-accelerated protons and carbon ions are investigated. The production and control of proton and carbon ion beams is studied using advanced ion source designs: Experiments concerning mass-limited (i.e. small and isolated) targets are conducted. These targets have the potential to increase both the number and the energy of laser-accelerated protons. Therefore, the influence of the size of a plane foil target on proton beam properties is measured. Furthermore, carbon ion sources are investigated. Carbon ions are of particular interest in the production of warm dense matter and in cancer radiotherapy. The possibility to focus carbon ion beams is investigated and a simple method for the production of quasi-monoenergetic carbon ion beams is presented. This thesis also provides an insight into the physical processes connected to the production and the control of laser-accelerated ions. For this purpose, laser-accelerated protons are employed to probe plasma phenomena on laser-irradiated targets. Electric fields evolving on the surface of laser-irradiated metal foils and hollow metal foil cylinders are investigated. Since these fields can be used to displace, collimate or focus proton beams, understanding their temporal and spatial evolution is crucial for the design of

Chirality induction and protonation-induced molecular motions in helical molecular strands.

Science.gov (United States)

Kolomiets, Elena; Berl, Volker; Lehn, Jean-Marie

2007-01-01

The long oligopyridinedicarboxamide strand 9, containing 15 heterocyclic rings has been synthesized and its helical structure determined by X-ray crystallography. It was shown that the shorter analogue 6 displays induced circular dichroism and amplification of induced chirality upon dissolution in an optically active solvent, diethyl-L-tartrate. A novel class of helical foldamers was prepared, strands 14-16, based on two oligopyridine carboxamide segments linked through a L-tartaric acid derived spacer. These tartro strands display internal chirality induction as well as chirality amplification. NMR spectroscopy (on 8 and 9) and circular dichroism (on 16) studies show that the oligopyridine carboxamide strands undergo reversible unfolding/folding upon protonation. The protonation-induced unfolding has been confirmed by X-ray crystallographic determination of the molecular structure of the extended protonated heptameric form 8(+). The molecular-scale mechano-chemical motions of the protonation-induced structural switching consist of a change of the length of the molecule, from 6 angstroms (6, coiled form) to 29 angstroms (8(+), uncoiled form) for the heptamer and from 12.5 angstroms (9, coiled form, X-ray structure) to 57 angstroms (9(+), uncoiled form, from modeling) for the pentadecamer. Similar unfolding/folding motional processes take place in the L-tartro strands 15 and 16 upon protonation/deprotonation, with loss of helicity-induced circular dichroism on unfolding as shown for the protonated form 16(+).

Molecular ion photofragment spectroscopy

International Nuclear Information System (INIS)

Bustamente, S.W.

1983-11-01

A new molecular ion photofragment spectrometer is described which features a supersonic molecular beam ion source and a radio frequency octapole ion trap interaction region. This unique combination allows several techniques to be applied to the problem of detecting a photon absorption event of a molecular ion. In particular, it may be possible to obtain low resolution survey spectra of exotic molecular ions by using a direct vibrational predissociation process, or by using other more indirect detection methods. The use of the spectrometer is demonstrated by measuring the lifetime of the O 2 + ( 4 π/sub u/) metastable state which is found to consist of two main components: the 4 π/sub 5/2/ and 4 π/sub -1/2/ spin components having a long lifetime (approx. 129 ms) and the 4 π/sub 3/2/ and 4 π/sub 1/2/ spin components having a short lifetime (approx. 6 ms)

Mobility and molecular ions of dimethyl methyl phosphonate, methyl salicylate and acetone

Science.gov (United States)

Nowak, D. M.

1983-06-01

The mobilities of positive and negative reactant ions are reported for (H2O)nH(+); (H2O)2O2 and (H2O)2CO3(-) ion clusters. The formation of positive DMMP monomer and dimer is reported, and equilbria molecular reactions are reported. Acetone is reported as forming a dimer at 81 ppb with a reduced mobility (K sub o) of 1.82, Methyl salicylate is shown to form a protonated and hydrated positive monomer. Mixtures of DMMP and methyl salicylate with acetone showed a substantial change in DMMP ion clustering and little or no change in the methyl salicylate mobility spectra. Negative ions were not observed for DMMP, methyl salicylate, acetone and the mixtures under the conditions reported.

Progress in the production of intense ion beams and the formation of proton layers

International Nuclear Information System (INIS)

Kapetanakos, C.A.; Golden, J.; Marsh, S.J.; Mahaffey, R.A.

1977-01-01

The results on ion sources and the application of ion beams to the formation of proton layers and rings are presented. Ion beams have been produced on three different generators. Some results from the experiments performed on the Gamble 2 generator are presented. The Gamble 2 generator with coaxial anode-cathode configuration, hollow beam cross-section produces power levels of 0.6-1.2 MV with peak ion current of 200 kA. The number of protons in the beam 4x10 16 . Peak ion currents is excess 200 kA, energy 1 MeV, ion current density 1 kA/cm 2 . Magnetic field configuration to provide formation of strong proton layers is shown

A new state of the H sub 2 sup + molecular ion

CERN Document Server

Carbonell, J; Hilico, L; Kilic, S; Lazauskas, R

2002-01-01

A new state of the H sub 2 sup + molecular ion with binding energy of 1.09 x 10 sup - sup 9 a.u. below the first dissociation limit is predicted, using highly accurate numerical nonrelativistic quantum calculations. It is the first L=0 excited state, antisymmetric with respect to the exchange of the two protons. It manifests itself as a huge p-H scattering length of a = 750 +-5 Bohr radii.

Biological intercomparison using gut crypt survivals for proton and carbon ions

International Nuclear Information System (INIS)

Uzawa, Akiko; Ando, Koichi; Furusawa, Yoshiya

2006-01-01

Charged particle therapy depends on biological information for the dose prescription. Relative biological effectiveness or relative biological effectiveness (RBE) for this requirement could basically be provided by experimental data. As RBE values of protons and carbon ions depend on several factors such as cell/tissue type, endpoint, dose and fractionation schedule, a single RBE value could not function as a master key to open all rooms filled with guests of different radiosensitivities. However, any biological model with accurate reproducibility is useful for comparing biological effectiveness between different facilities. We used mouse gut crypt survivals as endpoint, and compared the cell killing efficiency of proton beams at three Japanese facilities. Three Linac X-ray machines with 4 and 6 MeV were used as reference beams, and there was only a small variation (coefficient of variance <2%) in biological effectiveness among them. The RBE values of protons relative to Linac X-rays ranged from 1.0 to 1.11 at the middle of a 6-cm SOBP (spread-out Bragg peak) and from 0.96 to 1.01 at the entrance plateau. The coefficient of variance for protons ranged between 4.0 and 5.1%. The biological comparison of carbon ions showed fairly good agreement in that the difference in biological effectiveness between National Institute of Radiological Sciences (NIRS)/Heavy Ion Medical Accelerator in Chiba (HIMAC) and Gesellschaft fur Schwerionenforschung (GSI)/Heavy Ion Synchrotron (SIS) was 1% for three positions within the 6-cm SOBP. The coefficient of variance was <1.7, <0.6 and <1.6% for proximal, middle and distal SOBP, respectively. We conclude that the inter-institutional variation of biological effectiveness is smaller for carbon ions than protons, and that beam-spreading methods of carbon ions do not critically influence gut crypt survival. (author)

Molecular dynamics simulation of radiation grafted FEP films as proton exchange membranes: Effects of the side chain length

DEFF Research Database (Denmark)

Li, Xue; Zhao, Yang; Li, Weiwei

2017-01-01

In order to study the microstructure of the prepared potential proton exchange membrane (PEM), molecular dynamics (MD) simulations were used to lucubrate the transport behavior of water molecules and hydronium ions inside the hydrated sulfonated styrene grafted fluorinated ethylene propylene (FEP...... whereas larger water clusters formed. The results of the mean square displacements (MSDs) show that the proton conductivities of the membranes with the proposed side chain lengths were about three fifths of the experimental data, of which the membrane with side chain length of 7 sulfonic styrene units...... was supposed to exhibit the highest proton conductivity, that is 115.69 mS cm-1. All of the supposed membrane models presented good proton conductivity that could definitely meet the application requirements of the proton exchange membranes. The MD simulations can provide an insight to the chain structure...

Proton and oxide ion conductivity of doped LaScO3

DEFF Research Database (Denmark)

Lybye, D.; Bonanos, N.

1999-01-01

. At temperatures below 800 degrees C and low partial pressure of oxygen, proton conduction was dominant. Above this temperature, the ionic conductivity is dominated by oxide ion transport. The protonic transport number was estimated from the conductivities measured in dry and in water-moisturised gas. An isotope......The conductivity of La0.9Sr0.1Sc0.9Mg0.1O3 has been studied by impedance spectroscopy in controlled atmospheres. The material was found to be a mixed conductor with p-type conduction at high oxygen partial pressures and a combined proton and oxide ion conductor at low oxygen partial pressures...

Proton Transfer Time-of-Flight Mass Spectrometer

Energy Technology Data Exchange (ETDEWEB)

Watson, Thomas B. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2016-03-01

The Proton Transfer Reaction Mass Spectrometer (PTRMS) measures gas-phase compounds in ambient air and headspace samples before using chemical ionization to produce positively charged molecules, which are detected with a time-of-flight (TOF) mass spectrometer. This ionization method uses a gentle proton transfer reaction method between the molecule of interest and protonated water, or hydronium ion (H₃O⁺), to produce limited fragmentation of the parent molecule. The ions produced are primarily positively charged with the mass of the parent ion, plus an additional proton. Ion concentration is determined by adding the number of ions counted at the molecular ion’s mass-to-charge ratio to the number of air molecules in the reaction chamber, which can be identified according to the pressure levels in the reaction chamber. The PTRMS allows many volatile organic compounds in ambient air to be detected at levels from 10–100 parts per trillion by volume (pptv). The response time is 1 to 10 seconds.

Direct Comparison of Biologically Optimized Spread-out Bragg Peaks for Protons and Carbon Ions

International Nuclear Information System (INIS)

Wilkens, Jan J.; Oelfke, Uwe

2008-01-01

Purpose: In radiotherapy with hadrons, it is anticipated that carbon ions are superior to protons, mainly because of their biological properties: the relative biological effectiveness (RBE) for carbon ions is supposedly higher in the target than in the surrounding normal tissue, leading to a therapeutic advantage over protons. The purpose of this report is to investigate this effect by using biological model calculations. Methods and Materials: We compared spread-out Bragg peaks for protons and carbon ions by using physical and biological optimization. The RBE for protons and carbon ions was calculated according to published biological models. These models predict increased RBE values in regions of high linear energy transfer (LET) and an inverse dependency of the RBE on dose. Results: For pure physical optimization, protons yield a better dose distribution along the central axis. In biologically optimized plans, RBE variations for protons were relatively small. For carbon ions, high RBE values were found in the high-LET target region, as well as in the low-dose region outside the target. This means that the LET dependency and dose dependency of the RBE can cancel each other. We show this for radioresistant tissues treated with two opposing beams, for which the predicted carbon RBE within the target volume was lower than outside. Conclusions: For tissue parameters used in this study, the model used does not predict a biologic advantage of carbon ions. More reliable model parameters and clinical trials are necessary to explore the true potential of radiotherapy with carbon ions

Ion-molecule reactions in the binary mixture of ethylene oxide and trioxane, 1

International Nuclear Information System (INIS)

Kumakura, Minoru; Sugiura, Toshio.

1977-01-01

The formation mechanism of protonated molecular ions by cross-reactions in ethylene oxide-trioxane mixtures has been studied with use of a modified time-of-flight mass spectrometer. The precursors of the product ions were determined by analysis of the fine structure of their ionization efficiency curves using deuterated ethylene oxide. Protonated ethylene oxide is formed by the hydrogen atom transfer reaction of ethylene oxide molecular ion with trioxane, and protonated trioxane by the proton transfer reaction of CHO + (from ethylene oxide) with trioxane. In the ion-molecule reactions of ethylene-d 4 oxide-trioxane mixtures, appreciable isotope effect was observed. The CHO + from ethylene oxide is an important reactant ion as compared with that from trioxane in the proton transfer reaction, and CHO + from ethylene oxide was suggested as a thermal reactive ion. The order of proton affinity could be estimated from the proton transfer reactions involving CHO + . It was found that the proton affinity of trioxane is smaller than that of ethylene oxide. (auth.)

Proton transfer and complex formation of angiotensin I ions with gaseous molecules at various temperature

International Nuclear Information System (INIS)

Nonose, Shinji; Yamashita, Kazuki; Sudo, Ayako; Kawashima, Minami

2013-01-01

Highlights: • Proton transfer from angiotensin I ions (z = 2, 3) to gaseous molecules was studied. • Temperature dependence of absolute reaction rate constants was measured. • Remarkable changes were obtained for distribution of product ions and reaction rate constants. • Proton transfer reaction was enhanced and reduced by complex formation. • Conformation changes are induced by complex formation and or by thermal collision with He. - Abstract: Proton transfer reactions of angiotensin I ions for +2 charge state, [M + 2H] 2+ , to primary, secondary and aromatic amines were examined in the gas phase. Absolute reaction rate constants for proton transfer were determined from intensities of parent and product ions in the mass spectra. Temperature dependence of the reaction rate constants was measured. Remarkable change was observed for distribution of product ions and reaction rate constants. Proton transfer reaction was enhanced or reduced by complex formation of [M + 2H] 2+ with gaseous molecules. The results relate to conformation changes of [M + 2H] 2+ with change of temperature, which are induced by complex formation and or by thermal collision with He. Proton transfer reactions of angiotensin I ions for +3 charge state, [M + 3H] 3+ , were also studied. The reaction rates did not depend on temperature so definitely

Collision-Induced Dissociation of Electrosprayed Protein Complexes: An All-Atom Molecular Dynamics Model with Mobile Protons.

Science.gov (United States)

Popa, Vlad; Trecroce, Danielle A; McAllister, Robert G; Konermann, Lars

2016-06-16

Electrospray ionization mass spectrometry (ESI-MS) has become an indispensable technique for examining noncovalent protein complexes. Collision-induced dissociation (CID) of these multiply protonated gaseous ions usually culminates in ejection of a single subunit with a disproportionately large amount of charge. Experiments suggest that this process involves subunit unfolding prior to separation from the residual complex, as well as H(+) migration onto the unravelling chain. Molecular dynamics (MD) simulations are a promising avenue for gaining detailed insights into these CID events. Unfortunately, typical MD algorithms do not allow for mobile protons. Here we address this limitation by implementing a strategy that combines atomistic force fields (such as OPLS/AA and CHARMM36) with a proton hopping algorithm, focusing on the tetrameric complexes transthyretin and streptavidin. Protons are redistributed over all acidic and basic sites in 20 ps intervals, subject to an energy function that reflects electrostatic interactions and proton affinities. Our simulations predict that nativelike conformers at the onset of collisional heating contain multiple salt bridges. Collisional heating initially causes subtle structural changes that lead to a gradual decline of these zwitterionic patterns. Many of the MD runs show gradual unfolding of a single subunit in conjunction with H(+) migration, culminating in subunit separation from the complex. However, there are also instances where two or more chains start to unfold simultaneously, giving rise to charge competition. The scission point where the "winning" subunit separates from the complex can be attained for different degrees of unfolding, giving rise to product ions in various charge states. The simulated product ion distributions are in close agreement with experimental CID data. Proton enrichment in the departing subunit is driven by charge-charge repulsion, but the combination of salt bridge depletion, charge migration

Feasibility of using laser ion accelerators in proton therapy

CERN Document Server

Bulanov, S V

2002-01-01

The feasibility of using the laser plasma as a source of the high-energy ions for the proton radiation therapy is discussed. The proposal is based on the recent inventions of the effective ions acceleration in the experiments and through numerical modeling of the powerful laser radiation interaction with the gaseous and solid state targets. The principal peculiarity of the dependence of the protons energy losses in the tissues (the Bragg peak of losses) facilities the solution of one of the most important problems of the radiation therapy, which consists in realizing the tumor irradiation by sufficiently high and homogeneous dose with simultaneous minimization of the irradiation level, relative to the healthy and neighbouring tissues and organs

Preliminary Comparison of the Response of LHC Tertiary Collimators to Proton and Ion Beam Impacts

CERN Document Server

Cauchi, M; Bertarelli, A; Carra, F; Cerutti, F; Lari, L; Mollicone, P; Sammut, N

2013-01-01

The CERN Large Hadron Collider is designed to bring into collision protons as well as heavy ions. Accidents involving impacts on collimators can happen for both species. The interaction of lead ions with matter differs to that of protons, thus making this scenario a new interesting case to study as it can result in different damage aspects on the collimator. This paper will present a preliminary comparison of the response of collimators to proton and ion beam impacts.

Biological intercomparison using gut crypt survivals for proton and carbon-ion beams

International Nuclear Information System (INIS)

Uzawa, Akiko; Ando, Koichi; Furusawa, Yoshiya

2007-01-01

Charged particle therapy depends on biological information for the dose prescription. Relative biological effectiveness or RBE for this requirement could basically be provided by experimental data. As RBE values of protons and carbon ions depend on several factors such as cell/tissue type, biological endpoint, dose and fractionation schedule, a single RBE value could not deal with all different radiosensitivities. However, any biological model with accurate reproducibility is useful for comparing biological effectiveness between different facilities. We used mouse gut crypt survivals as endpoint, and compared the cell killing efficiency of proton beams at three Japanese facilities. Three Linac X-ray machines with 4 and 6 MeV were used as reference beams, and there was only a small variation (coefficient of variance<2%) in biological effectiveness among them. The RBE values of protons relative to Linac X-rays ranged from 1.0 to 1.11 at the middle of a 6-cm SOBP (spread-out Bragg peak) and from 0.96 to 1.01 at the entrance plateau. The coefficient of variance for protons ranged between 4.0 and 5.1%. The biological comparison of carbon ions showed fairly good agreement in that the difference in biological effectiveness between National Institute of Radiological Sciences (NIRS)/ Heavy Ion Medical Accelerator in Chiba (HIMAC) and Gesellschaft fur Schwerionenforschung (GSI)/Heavy Ion Synchrotron (SIS) was 1% for three positions within the 6-cm SOBP. The coefficient of variance was <1.7, <0.6 and <1.6% for proximal, middle and distal SOBP, respectively. We conclude that the inter-institutional variation of biological effectiveness is smaller for carbon ions than protons, and that beam-spreading methods of carbon ions do not critically influence gut crypt survival. (author)

Determining the stereochemical structures of molecular ions by ''Coulomb-explosion'' techniques with fast (MeV) molecular ion beams

International Nuclear Information System (INIS)

Gemmell, D.S.

1980-01-01

Recent studies on the dissociation of fast (MeV) molecular ion beams in thin foils suggest a novel alternative approach to the determination of molecular ion structures. In this article we review some recent high-resolution studies on the interactions of fast molecular ion beams with solid and gaseous targets and indicate how such studies may be applied to the problem of determining molecular ion structures. The main features of the Coulomb explosion of fast-moving molecular ion projectiles and the manner in which Coulomb-explosion techniques may be applied to the problem (difficult to attack by more conventional means) of determining the stereochemical structures of molecular ions has been described in this paper. Examples have been given of early experiments designed to elicit structure information. The techniques are still in their infancy, and it is to be expected that as both the technology and the analysis are refined, the method will make valuable contributions to the determination of molecular ion structures

Metal ion separations with proton-ionizable Lariat Ethers and their polymers

International Nuclear Information System (INIS)

Bartsch, R.A.

1993-01-01

The preparation of novel and specific organic complexing agents may lead to the development of new separation systems for aqueous metal ions. Thus the introduction of highly lipophilic oximes led to the current utilization of these compounds as commercial extractants for the hydrometallurgy of nonferrous metals. Crown ethers (macrocyclic polyethers) have been employed in the laboratory-scale solvent extraction of alkali-metal, alkaline-earth, and other metal cations into organic phases. Attachment of side arms to crown ethers gives lariat ethers. The presence of one or more potential coordination sites in the side arm of the lariat ether may produce substantial changes in the selectivity and efficiency of metal ion complexation. It has been demonstrated that concomitant transfer of an aqueous phase anion into the organic medium is not required for metal ion extraction. This factor is of immense importance to potential practical applications of these proton-ionizable crown ethers in which the common, hard, aqueous phase anions would be involved. Another advantage of proton-ionizable lariat ethers is the ease with which extracted metal ions may be stripped from the organic phase by shaking with aqueous mineral acid. Thus both metal ion extraction and stripping are facilitated by pendent proton-ionizable groups. Most of the hazardous metal ion species in the Hanford Site tank wastes are members of the alkali-metal, alkaline-earth, lanthanide, and actinide families. These hard metal ion species prefer association with hard donor atoms, such as oxygens. Therefore, crown and lariat ethers are well-suited for complexation with such metal ion species

TH-A-19A-05: Modeling Physics Properties and Biologic Effects Induced by Proton and Helium Ions

Energy Technology Data Exchange (ETDEWEB)

Taleei, R; Titt, U; Peeler, C; Guan, F; Mirkovic, D; Grosshans, D; Mohan, R [UT MD Anderson Cancer Center, Houston, TX (United States)

2014-06-15

Purpose: Currently, proton and carbon ions are used for cancer treatment. More recently, other light ions including helium ions have shown interesting physical and biological properties. The purpose of this work is to study the biological and physical properties of helium ions (He-3) in comparison to protons. Methods: Monte Carlo simulations with FLUKA, GEANT4 and MCNPX were used to calculate proton and He-3 dose distributions in water phantoms. The energy spectra of proton and He-3 beams were calculated with high resolution for use in biological models. The repair-misrepairfixation (RMF) model was subsequently used to calculate the RBE. Results: The proton Bragg curve calculations show good agreement between the three general purpose Monte Carlo codes. In contrast, the He-3 Bragg curve calculations show disagreement (for the magnitude of the Bragg peak) between FLUKA and the other two Monte Carlo codes. The differences in the magnitude of the Bragg peak are mainly due to the discrepancy in the secondary fragmentation cross sections used by the codes. The RBE for V79 cell lines is about 0.96 and 0.98 at the entrance of proton and He-3 ions depth dose respectively. The RBE increases to 1.06 and 1.59 at the Bragg peak of proton and He-3 ions. The results demonstrated that LET, microdosimetric parameters (such as dose-mean lineal energy) and RBE are nearly constant along the plateau region of Bragg curve, while all parameters increase within the Bragg peak and at the distal edge for both proton and He-3 ions. Conclusion: The Monte Carlo codes should revise the fragmentation cross sections to more accurately simulate the physical properties of He-3 ions. The increase in RBE for He-3 ions is higher than for proton beams at the Bragg peak.

Spot size dependence of laser accelerated protons in thin multi-ion foils

International Nuclear Information System (INIS)

Liu, Tung-Chang; Shao, Xi; Liu, Chuan-Sheng; Eliasson, Bengt; Wang, Jyhpyng; Chen, Shih-Hung

2014-01-01

We present a numerical study of the effect of the laser spot size of a circularly polarized laser beam on the energy of quasi-monoenergetic protons in laser proton acceleration using a thin carbon-hydrogen foil. The used proton acceleration scheme is a combination of laser radiation pressure and shielded Coulomb repulsion due to the carbon ions. We observe that the spot size plays a crucial role in determining the net charge of the electron-shielded carbon ion foil and consequently the efficiency of proton acceleration. Using a laser pulse with fixed input energy and pulse length impinging on a carbon-hydrogen foil, a laser beam with smaller spot sizes can generate higher energy but fewer quasi-monoenergetic protons. We studied the scaling of the proton energy with respect to the laser spot size and obtained an optimal spot size for maximum proton energy flux. Using the optimal spot size, we can generate an 80 MeV quasi-monoenergetic proton beam containing more than 10 8 protons using a laser beam with power 250 TW and energy 10 J and a target of thickness 0.15 wavelength and 49 critical density made of 90% carbon and 10% hydrogen

High intensity proton injector for facility of antiproton and ion research

Energy Technology Data Exchange (ETDEWEB)

Berezov, R., E-mail: r.berezov@gsi.de; Brodhage, R.; Fils, J.; Hollinger, R.; Ivanova, V. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Planckstr. 1, 64291 Darmstadt (Germany); Chauvin, N.; Delferriere, O.; Tuske, O. [Commissariat à l’Energie Atomique et aux Energies Alternatives, IRFU, F-91191 Gif-sur-Yvette (France); Ullmann, C. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Planckstr. 1, 64291 Darmstadt (Germany); Institut für Angewandte Physik, Goethe-Universität Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt/Main (Germany)

2016-02-15

The high current ion source with the low energy beam transport (LEBT) will serve as injector into the proton LINAC to provide primary proton beam for the production of antiprotons. The pulsed ion source developed and built in CEA/Saclay operates with a frequency of 2.45 GHz based on ECR plasma production with two coils with 87.5 mT magnetic field necessary for the electron cyclotron resonance. The compact LEBT consists of two solenoids with a maximum magnetic field of 500 mT including two integrated magnetic steerers to adjust the horizontal and vertical beam positions. The total length of the compact LEBT is 2.3 m and was made as short as possible to reduced emittance growth along the beam line. To measure ion beam intensity behind the pentode extraction system, between solenoids and at the end of the beam line, two current transformers and a Faraday cup are installed. To get information about the beam quality and position, the diagnostic chamber with different equipment will be installed between the two solenoids. This article reports the current status of the proton injector for the facility of antiproton and ion research.

Activation of acid-sensing ion channels by localized proton transient reveals their role in proton signaling.

Science.gov (United States)

Zeng, Wei-Zheng; Liu, Di-Shi; Liu, Lu; She, Liang; Wu, Long-Jun; Xu, Tian-Le

2015-09-15

Extracellular transients of pH alterations likely mediate signal transduction in the nervous system. Neuronal acid-sensing ion channels (ASICs) act as sensors for extracellular protons, but the mechanism underlying ASIC activation remains largely unknown. Here, we show that, following activation of a light-activated proton pump, Archaerhodopsin-3 (Arch), proton transients induced ASIC currents in both neurons and HEK293T cells co-expressing ASIC1a channels. Using chimera proteins that bridge Arch and ASIC1a by a glycine/serine linker, we found that successful coupling occurred within 15 nm distance. Furthermore, two-cell sniffer patch recording revealed that regulated release of protons through either Arch or voltage-gated proton channel Hv1 activated neighbouring cells expressing ASIC1a channels. Finally, computational modelling predicted the peak proton concentration at the intercellular interface to be at pH 6.7, which is acidic enough to activate ASICs in vivo. Our results highlight the pathophysiological role of proton signalling in the nervous system.

90 deg.Neutron emission from high energy protons and lead ions on a thin lead target

CERN Document Server

Agosteo, S; Foglio-Para, A; Mitaroff, W A; Silari, Marco; Ulrici, L

2002-01-01

The neutron emission from a relatively thin lead target bombarded by beams of high energy protons/pions and lead ions was measured at CERN in one of the secondary beam lines of the Super Proton Synchrotron for radiation protection and shielding calculations. Measurements were performed with three different beams: sup 2 sup 0 sup 8 Pb sup 8 sup 2 sup + lead ions at 40 GeV/c per nucleon and 158 GeV/c per nucleon, and 40 GeV/c mixed protons/pions. The neutron yield and spectral fluence per incident ion on target were measured at 90 deg.with respect to beam direction. Monte-Carlo simulations with the FLUKA code were performed for the case of protons and pions and the results found in good agreement with the experimental data. A comparison between simulations and experiment for protons, pions and lead ions have shown that--for such high energy heavy ion beams--a reasonable estimate can be carried out by scaling the result of a Monte-Carlo calculation for protons by the projectile mass number to the power of 0.80-0...

Electron-impact excitation of molecular ions

International Nuclear Information System (INIS)

Neufeld, D.A.; Dalgarno, A.

1989-01-01

A simple expression is derived that relates the rate coefficient for dipole-allowed electron-impact excitation of a molecular ion in the Coulomb-Born approximation to the Einstein A coefficient for the corresponding radiative decay. Results are given for several molecular ions of astrophysical interest. A general analytic expression is obtained for the equilibrium rotational level populations in the ground vibrational state of any molecular ion excited by collisions with electrons. The expression depends only upon the electron temperature, the electron density, and the rotational constant of the molecular ion. A similar expression is obtained for neutral polar molecules

Mutation breeding of rape by using proton ion beam

International Nuclear Information System (INIS)

Eun, J. S.; Chang, Y. S.; Han, S. G.; Choi, S. R.; Kim, J. S.

2006-04-01

This experiment was carried out by irradiation the proton ion beam and gamma-ray at level 100 to 2,000 Gy on dry seeds of 3 varieties, 'Naehan', 'Hanla' and 'Tammi' to increase the cultivation area and develope for biodiesel in rape (Brassica napus) and checked the radiosensitivity test including germination rate, emergence rate and chromosome aberration and the occurrence of morphological mutant in M1 generation. The germination rate and emergence rate were 98∼100% because they had no relation with radiation source, dosage and variety. There was no significance in survival rate up to 1,000 Gy dosage after sowing of 7 days and remarkably reduced from 39.5 to 69.6% at 1,500 to 2,000 Gy dosage. The length and area of cotyledon, and hypocotyl length were highly reduced with significance by increasing dosage of proton ion and gamma-irradiation in all 3 varieties and showed the sensitive responses on 'Naehan', 'Hanla' and 'Tammi' in order. By the way, there was a radiation hormesis in 'Tammi' by increasing the length and area of cotyledon in the proton ion treatment at 100∼200 Gy dosage compared to the control (no treatment). With the same effect, it had the similar results in the fresh weight of above-aerial parts in 3∼4 weeks after sowing

Comparison of proton and phosphorous ion implantation-induced intermixing of InAs/InP quantum dots

Energy Technology Data Exchange (ETDEWEB)

Barik, S; Tan, H H; Jagadish, C [Department of Electronic Materials Engineering, Research School of Physical Sciences and Engineering, Australian National University, Canberra, Australian Capital Territory 0200 (Australia)

2007-05-02

We report and compare proton and phosphorous ion implantation-induced intermixing of InAs/InP quantum dots (QDs). After ion implantation at 20-300 deg. C, the QDs are rapid thermally annealed at 850 deg. C for 30 s. Proton implantation induces less energy shift than P ion implantation for a given concentration of atomic displacements due to the more efficient dynamic annealing of the defects created by protons. The implantation-induced energy shift reaches a maximum value of about 260 meV for a dose of 5 x 10{sup 12} ions cm{sup -2} in the P ion implanted QDs, which also show narrower PL linewidths compared to the proton implanted QDs. We also report the effects of an InGaAs top cap layer on the ion implantation-induced QD intermixing and show that defect production and annihilation processes evolve differently in InGaAs and InP layers and vary with the implantation temperature. When the implantation is performed at higher temperatures, the energy shift of the P ion implanted QDs capped with an InP layer increases due to the reduction in larger defect cluster formation at higher temperatures, while the energy shift of the proton implanted QDs decreases due to increased dynamic annealing irrespective of their cap layers.

Proton transport properties of poly(aspartic acid) with different average molecular weights

Energy Technology Data Exchange (ETDEWEB)

Nagao, Yuki, E-mail: ynagao@kuchem.kyoto-u.ac.j [Department of Mechanical Systems and Design, Graduate School of Engineering, Tohoku University, 6-6-01 Aoba Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Imai, Yuzuru [Institute of Development, Aging and Cancer (IDAC), Tohoku University, 4-1 Seiryo-cho, Aoba-ku, Sendai 980-8575 (Japan); Matsui, Jun [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan); Ogawa, Tomoyuki [Department of Electronic Engineering, Graduate School of Engineering, Tohoku University, 6-6-05 Aoba Aramaki, Aoba-ku, Sendai 980-8579 (Japan); Miyashita, Tokuji [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Sendai 980-8577 (Japan)

2011-04-15

Research highlights: Seven polymers with different average molecular weights were synthesized. The proton conductivity depended on the number-average degree of polymerization. The difference of the proton conductivities was more than one order of magnitude. The number-average molecular weight contributed to the stability of the polymer. - Abstract: We synthesized seven partially protonated poly(aspartic acids)/sodium polyaspartates (P-Asp) with different average molecular weights to study their proton transport properties. The number-average degree of polymerization (DP) for each P-Asp was 30 (P-Asp30), 115 (P-Asp115), 140 (P-Asp140), 160 (P-Asp160), 185 (P-Asp185), 205 (P-Asp205), and 250 (P-Asp250). The proton conductivity depended on the number-average DP. The maximum and minimum proton conductivities under a relative humidity of 70% and 298 K were 1.7 . 10{sup -3} S cm{sup -1} (P-Asp140) and 4.6 . 10{sup -4} S cm{sup -1} (P-Asp250), respectively. Differential thermogravimetric analysis (TG-DTA) was carried out for each P-Asp. The results were classified into two categories. One exhibited two endothermic peaks between t = (270 and 300) {sup o}C, the other exhibited only one peak. The P-Asp group with two endothermic peaks exhibited high proton conductivity. The high proton conductivity is related to the stability of the polymer. The number-average molecular weight also contributed to the stability of the polymer.

Restrained Proton Indicator in Combined Quantum-Mechanics/Molecular-Mechanics Dynamics Simulations of Proton Transfer through a Carbon Nanotube.

Science.gov (United States)

Duster, Adam W; Lin, Hai

2017-09-14

Recently, a collective variable "proton indicator" was purposed for tracking an excess proton solvated in bulk water in molecular dynamics simulations. In this work, we demonstrate the feasibility of utilizing the position of this proton indicator as a reaction coordinate to model an excess proton migrating through a hydrophobic carbon nanotube in combined quantum-mechanics/molecular-mechanics simulations. Our results indicate that applying a harmonic restraint to the proton indicator in the bulk solvent near the nanotube pore entrance leads to the recruitment of water molecules into the pore. This is consistent with an earlier study that employed a multistate empirical valence bond potential and a different representation (center of excess charge) of the proton. We attribute this water recruitment to the delocalized nature of the solvated proton, which prefers to be in high-dielectric bulk solvent. While water recruitment into the pore is considered an artifact in the present simulations (because of the artificially imposed restraint on the proton), if the proton were naturally restrained, it could assist in building water wires prior to proton transfer through the pore. The potential of mean force for a proton translocation through the water-filled pore was computed by umbrella sampling, where the bias potentials were applied to the proton indicator. The free energy curve and barrier heights agree reasonably with those in the literature. The results suggest that the proton indicator can be used as a reaction coordinate in simulations of proton transport in confined environments.

Felix Spectroscopy of Likely Astronomical Molecular Ions: HC_3O^+, C_2H_3CNH^+, and C_2H_5CNH^+

Science.gov (United States)

Thorwirth, Sven; Asvany, Oskar; Brünken, Sandra; Jusko, Pavol; Schlemmer, Stephan; Martin-Drumel, Marie-Aline; McCarthy, Michael C.

2017-06-01

Infrared signatures of three molecular ions of relevance to the interstellar medium and planetary atmospheres have been detected at the Free Electron Laser for Infrared eXperiments, FELIX, at Radboud University (Nijmegen, The Netherlands) in combination with the 4K FELion 22-pole ion trap facility. Mid-infrared vibrational modes of protonated tricarbon monoxide, HC_3O^+, protonated vinyl cyanide, C_2H_3CNH^+, and protonated ethyl cyanide, C_2H_5CNH^+, were detected using resonant photodissociation of the respective Ne-complexes by monitoring the depletion of their cluster mass signal as a function of wavenumber. The infrared fingerprints compare very favorably with results from high-level quantum-chemical calculations performed at the CCSD(T) level of theory.

Behavioral effects of heavy ions and protons and potential countermeasure agents

Science.gov (United States)

Vazquez, M.; Gatley, J.; Bruneus, M.; Koslosky, S.; Billups, A.

Space travel beyond the Earth's protective magnetic field (for example, to Mars) will involve exposure of astronauts to irradiation by high-energy nuclei such as 56 Fe, which are a component of galactic cosmic rays. These particles have high linear energy transfer (LET) and are expected to irreversibly damage cells they traverse. Exposure to HZE radiation may therefore cause progressive deterioration of brain function, adding to other inescapable damage involved in normal aging. We propose a study of the hypothesis that long-term behavioral alterations are induced after exposure of the brain to 1 GeV/n iron and silicon particles with fluences of 1 to 8 particles/cell targets. Previous studies support this notion but are not definitive, especially with regard to long-term effects. Our principal goal is to examine the neurological effects of high-LET radiation on C57BL/6 mice using a series of behavioral tests to unveil the temporal expression of altered behaviors in the radiation response, as well as the means, which can modulate these responses. The studies planned in this project are designed to: 1) Characterize the behavioral consequences after exposure to low-fluences of heavy ions and protons on C57BL/6 mice. The main behavioral endpoints to be used in these studies are locomotor activity to evaluate the integrity of striatal dopaminergic pathways, and spatial reference memory to probe hippocampal cholinergic pathways. 2) Characterize the neurochemical and structural changes induced by heavy ions and protons. 3) To develop countermeasures to protect neural cell populations exposed to low fluences of heavy ions and protons. The project will test methods to protect injured neural cells based on their molecular and cellular mechanisms that may regulate neural cell survival in the central nervous system. Among the methods that will be studied is the direct administration of neuroprotective molecules as well as the modulation of apoptotic pathways by pharmacological

DFT studies on proton-ethylene collisions

International Nuclear Information System (INIS)

Wang Zhiping; Zhang Fengshou; Wang Jing

2012-01-01

In the framework of the time-dependent local-density approximation (TDLDA)which applied to valence electrons, coupled non-adiabatically to molecular dynamics of ions, the microscopic mechanisms of collisions between energetic protons and ethylene are studied. Not only the amount of energy lost of the projectile, but also the electron and vibration excitations of the target are identified. In addition, the influences of the collision orientation on the energy loss of the proton and excitation dynamics of ethylene are discussed. It is found that the ionization is enhanced and more electrons are captured by the proton when the proton with the impact energy less than 250 eV moves perpendicularly to the molecular plane. A strong relation between the proton energy lost and the impact orientation is obtained when the impact energy is larger than 250 eV. (authors)

A new vibrational level of the H2+ molecular ion

International Nuclear Information System (INIS)

Carbonell, J.; Lazauskas, R.; Delande, D.; Hilico, L.; Kilic, S.; Hilico, L.; Kilic, S.

2003-01-01

A new vibrational level of the molecular ion H 2 + with binding energy of 1.09 x 10 -9 a.u. ∼ 30 neV below the first dissociation limit is predicted, using highly accurate numerical non-relativistic quantum calculations, which go beyond the Born-Oppenheimer approximation. It is the first-excited vibrational level v=1 of the 2pσ u electronic state, antisymmetric with respect to the exchange of the two protons, with orbital angular momentum L=0. It manifests itself as a huge p - H scattering length of a = 750 ± 5 Bohr radii. (authors)

On the production of positive molecular ions in cometary comas

International Nuclear Information System (INIS)

Tarafdar, S.P.; Wickramasinghe, N.C.

1977-01-01

Positively charged molecular ions, such as H 2 O + , which have been observed in cometary comas, may be efficiently produced by the evaporation of positively charged clathrate grains of radii in the range approximately 10 -6 -10 -3 cm. Such grains may be expelled from nuclei of comets, along with gaseous molecules. Grain charging occurs via interaction with solar ultraviolet photons and/or solar wind protons. Observational data on the total quantities as well as the distributions of H 2 O and H 2 O + in cometary comas are shown to be in accord with detailed model calculations. (Auth.)

Recommendation for a injector-cyclotron and ion sources for the acceleration of heavy ions and polarized protons and deuterons

International Nuclear Information System (INIS)

Botha, A.H.; Cronje, P.M.; Du Toit, Z.B.; Nel, W.A.G.; Celliers, P.J.

1984-01-01

It was decided to accelerate both heavy and light ions with the open-sector cyclotron. The injector SPS1, was used for light ions and SPS2 for heavy ions. Provision was also made for the acceleration of polarized neutrons. To enable this, the injector must have an axial injection system. The working of a source of polarized ions and inflectors for an axial injection system is discussed. The limitations of the open-sector cyclotron on the acceleration of heavy ions are also dealt with. The following acceleration/ion source combinations are discussed: i) The open-sector cyclotron and a k=40 injector cyclotron with a Penning ion source, and a stripper between the injector and the open-sector cyclotron and also a source of polarized protons and deuterons; ii) The acceleration/ion source combination with the addition of electron beam ion sources; iii) The open-sector cyclotron and a k=11 injector cyclotron with a electron beam ion source and a source of polarized protons and deuterons

Prospects for studies of ground-state proton decays with the Holifield Radioactive Ion Beam Facility

International Nuclear Information System (INIS)

Toth, K.S.

1994-01-01

By using radioactive ions from the Holifield Radioactive Ion Beam Facility at Oak Ridge National Laboratory it should be possible to identify many new ground-state proton emitters in the mass region from Sn to Pb. During this production and search process the limits of stability on the proton-rich side of the nuclidic chart will be delineated for a significant fraction of medium-weight elements and our understanding of the proton-emission process will be expanded and improved

Equivalence of displacement radiation damage in superluminescent diodes induced by protons and heavy ions

Energy Technology Data Exchange (ETDEWEB)

Li, Xingji, E-mail: lxj0218@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Liu, Chaoming [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Lan, Mujie; Xiao, Liyi [Center of Micro-electronics, Harbin Institute of Technology, Harbin 150001 (China); Liu, Jianchun; Ding, Dongfa [Beijing Aerospace Times Optical-electronic Technology Co.Ltd, Beijing 100854 (China); Yang, Dezhuang; He, Shiyu [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

2013-07-11

The degradation of optical power for superluminescent diodes is in situ measured under exposures of protons with various energies (170 keV, 3 MeV and 5 MeV), and 25 MeV carbon ions for several irradiation fluences. Experimental results show that the optical power of the SLDs decreases with increasing fluence. The protons with lower energies cause more degradation in the optical power of SLDs than those with higher energies at a given fluence. Compared to the proton irradiation with various energies, the 25 MeV carbon ions induce more severe degradation to the optical power. To characterize the radiation damage of the SLDs, the displacement doses as a function of chip depth in the SLDs are calculated by SRIM code for the protons and carbon ions. Based on the irradiation testing and calculation results, an approach is given to normalize the equivalence of displacement damage induced by various charged particles in SLDs.

A new ion exchange behavior of protonated titanate nanotubes after deprotonation and the study on their morphology and optical properties

International Nuclear Information System (INIS)

Zhang Huibin; Cao Lixin; Liu Wei; Su Ge

2012-01-01

Graphical abstract: The morphological transformation of protonated titanate nanotubes under alkali solution before ion exchange (a) and after ion exchange (b). Highlights: ► A novel ion exchange behavior of protonated titanate nanotubes after deprotonation. ► The exchangeability of protonated titanate nanotubes are not as inert as past reported. ► The tube walls of H 2 Ti 3 O 7 nanotubes is observed to get loosened after ion exchange. ► The paper proves a new and easy way to modify protonated titanate nanotubes. - Abstract: After the deprotonation of protonated titanate nanotubes (H 2 Ti 3 O 7 ), we observed a novel ion exchange behavior on them. In the past literatures, protonated titanate nanotubes prepared via hydrothermal method have been reported with a poor exchangeability which may due to the chemical bonding of interlayer protons to nearby oxygen atoms. However, in this experiment under alkali environment (pH > 10), protonated titanate nanotubes exhibited a vast ion exchange capacity toward [Co(NH 3 ) 6 ] 2+ . This interesting phenomenon is contrary to the past reports which found protonated titanate nanotubes hardly could be ionexchanged by objective cations. This paper proves the deprotonation process on H 2 Ti 3 O 7 nanotubes sufficiently facilitates the diffusion of metal complex cations into protonated titanate nanotubes and significantly changes their ion exchange capacity. As a consequence of cabalt intercalting via ion exchange, the tube wall of H 2 Ti 3 O 7 nanotubes is observed to get loosened. Additionally, the exciton concentrations corresponding to the nanotube surface states are discussed in the paper.

Cross sections for pion, proton, and heavy-ion production from 800 MeV protons incident upon aluminum and silicon

Energy Technology Data Exchange (ETDEWEB)

Dicello, J.F. (Clarkson Univ., Potsdam, NY (USA)); Schillaci, M.E.; Liu Lonchang (Los Alamos National Lab., NM (USA))

1990-01-01

When high-energy cosmic rays interact with electronics or other materials in a spacecraft, including the occupants themselves, pions are produced as secondary particles. These secondary pions interact further in the materials producing nuclear secondaries, including nuclear recoils and heavy-ion tertiaries. The secondary pions and the the tertiary particles are capable of producing single-event upsets and other damage in integrated circuits and damage in biological systems. Negative pions stopping in materials are particularly effective because of their unique ability to produce short-range heavy particles from pion stars. With the Los Alamos National Laboratory's version of the intranuclear cascade evaporation code, VEGAS, we have calculated the number of pions produced per energy interval per incident proton from 800 MeV protons on aluminum-27 and silicon-28 along with corresponding results for neutrons, protons, and heavier ions. (orig.).

Molecular modeling of protonic acid doping of emeraldine base polyaniline for chemical sensors

NARCIS (Netherlands)

Chen, X.; Yuan, C.A.; Wong, C.K.Y.; Ye, H.; Leung, S.Y.Y.; Zhang, G.

2012-01-01

We proposed a molecular modeling methodology to study the protonic acid doping of emeraldine base polyaniline which can used in gas detection. The commercial forcefield COMPASS was used for the polymer and protonic acid molecules. The molecular model, which is capable of representing the polyaniline

The GOES-16 Energetic Heavy Ion Instrument Proton and Helium Fluxes for Space Weather Applications

Science.gov (United States)

Connell, J. J.; Lopate, C.

2017-12-01

The Energetic Heavy Ion Sensor (EHIS) was built by the University of New Hampshire, subcontracted to Assurance Technology Corporation, as part of the Space Environmental In-Situ Suite (SEISS) on the new GOES-16 satellite, in geostationary Earth orbit. The EHIS measures energetic ions in space over the range 10-200 MeV for protons, and energy ranges for heavy ions corresponding to the same stopping range. Though an operational satellite instrument, EHIS will supply high quality data for scientific studies. For the GOES Level 1-B and Level 2 data products, protons and helium are distinguished in the EHIS using discriminator trigger logic. Measurements are provided in five energy bands. The instrumental cadence of these rates is 3 seconds. However, the primary Level 1-B proton and helium data products are 1-minute and 5-minute averages. The data latency is 1 minute, so data products can be used for real-time predictions as well as general science studies. Protons and helium, comprising approximately 99% of all energetic ions in space are of great importance for Space Weather predictions. We discuss the preliminary EHIS proton and helium data results and their application to Space Weather. The EHIS instrument development project was funded by NASA under contract NNG06HX01C.

Slowing down and straggling of protons and heavy ions in matter

International Nuclear Information System (INIS)

Aernsbergen, L.M. van.

1986-01-01

The Doppler Shift Attenuation (DSA) method is widely used to measure lifetimes of nuclear states. However, many of the lifetimes resulting from DSA measurements display large variations which are caused by an insufficient knowledge of slowing down processes of nucleus recoils. The measurement of 'ranges' is an often used method to study these slowing down processes. In this kind of measurement the distributions of implanted ions are determined for example by the method of Rutherford backscattering or from the yield curve of a resonant nuclear reaction. In this thesis, research on energy-loss processes of protons and Si ions in aluminium is presented. The so-called Resonance Shift method has been improved for the measurements on the protons themselves. This method has only been used occasionally before. A new method has been developed, which is called the Transmission Doppler Shift Attenuation (TDSA) method, for the measurement on Si ions. (Auth.)

Rotational spectrum of the molecular ion NH+ as a probe for α and me/mp variation

International Nuclear Information System (INIS)

Beloy, K.; Borschevsky, A.; Hauser, A. W.; Schwerdtfeger, P.; Kozlov, M. G.; Flambaum, V. V.

2011-01-01

We identify the molecular ion NH + as a potential candidate for probing variations in the fine-structure constant α and electron-to-proton mass ratio μ. NH + has an anomalously low-lying excited 4 Σ - state, being only a few hundred cm -1 above the ground 2 Π state. Being a light molecule, this proximity is such that rotational levels of the respective states are highly intermixed for low angular momenta. We find that several low-frequency transitions within the collective rotational spectrum experience enhanced sensitivity to α and μ variation. This is attributable to the close proximity of the 2 Π and 4 Σ - states, as well as the ensuing strong spin-orbit coupling between them. Suggestions that NH + may exist in interstellar space and recent predictions that trapped-ion precision spectroscopy will be adaptable to molecular ions make NH + a promising system for future astrophysical and laboratory studies of α and μ variation.

Laser induced fluorescence of trapped molecular ions

Energy Technology Data Exchange (ETDEWEB)

Grieman, F.J.

1979-10-01

An experimental apparatus for obtaining the optical spectra of molecular ions is described. The experimental technique includes the use of three dimensional ion trapping, laser induced fluorescence, and gated photon counting methods. The ions, which are produced by electron impact, are confined in a radio-frequency quadrupole ion trap of cylindrical design. Because the quadrupole ion trap allows mass selection of the molecular ion desired for study, the analysis of the spectra obtained is greatly simplified. The ion trap also confines the ions to a region easily probed by a laser beam. 18 references.

Laser induced fluorescence of trapped molecular ions

International Nuclear Information System (INIS)

Grieman, F.J.

1979-10-01

An experimental apparatus for obtaining the optical spectra of molecular ions is described. The experimental technique includes the use of three dimensional ion trapping, laser induced fluorescence, and gated photon counting methods. The ions, which are produced by electron impact, are confined in a radio-frequency quadrupole ion trap of cylindrical design. Because the quadrupole ion trap allows mass selection of the molecular ion desired for study, the analysis of the spectra obtained is greatly simplified. The ion trap also confines the ions to a region easily probed by a laser beam. 18 references

Comparative Risk Predictions of Second Cancers After Carbon-Ion Therapy Versus Proton Therapy

Energy Technology Data Exchange (ETDEWEB)

Eley, John G., E-mail: jeley@som.umaryland.edu [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); University of Texas Graduate School of Biomedical Sciences, Houston, Texas (United States); Department of Radiation Oncology, University of Maryland School of Medicine, Baltimore, Maryland (United States); Friedrich, Thomas [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Darmstadt (Germany); Homann, Kenneth L.; Howell, Rebecca M. [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); University of Texas Graduate School of Biomedical Sciences, Houston, Texas (United States); Scholz, Michael; Durante, Marco [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Darmstadt (Germany); Newhauser, Wayne D. [Department of Physics and Astronomy, Louisiana State University and Agricultural and Mechanical College, Baton Rouge, Louisiana (United States); Mary Bird Perkins Cancer Center, Baton Rouge, Louisiana (United States)

2016-05-01

Purpose: This work proposes a theoretical framework that enables comparative risk predictions for second cancer incidence after particle beam therapy for different ion species for individual patients, accounting for differences in relative biological effectiveness (RBE) for the competing processes of tumor initiation and cell inactivation. Our working hypothesis was that use of carbon-ion therapy instead of proton therapy would show a difference in the predicted risk of second cancer incidence in the breast for a sample of Hodgkin lymphoma (HL) patients. Methods and Materials: We generated biologic treatment plans and calculated relative predicted risks of second cancer in the breast by using two proposed methods: a full model derived from the linear quadratic model and a simpler linear-no-threshold model. Results: For our reference calculation, we found the predicted risk of breast cancer incidence for carbon-ion plans-to-proton plan ratio, , to be 0.75 ± 0.07 but not significantly smaller than 1 (P=.180). Conclusions: Our findings suggest that second cancer risks are, on average, comparable between proton therapy and carbon-ion therapy.

Optimization of proton and heavy ion therapy using an adaptive inversion algorithm

International Nuclear Information System (INIS)

Brahme, A.; Kaellman, P.; Lind, B.K.

1989-01-01

From the examples presented it is clear that the clinical advantages of high energy proton beams are considerable when optimally employed. Protons can generate almost any desired dose distribution in an arbitrary shaped target volume. When only ordinary uniform proton beams of fixed range modulation are available, the clinical advantages compared for example to high quality high energy electrons are not so pronounced. The new iterative inversion algorithm presented here therefore opens the door for precise and efficient use of the dose distributional advantages of high energy protons, pions and heavy ions. (author). 22 refs.; 7 figs

Protonation-induced ultrafast torsional dynamics in 9-anthrylbenzimidazole: a pH activated molecular rotor.

Science.gov (United States)

Nandi, Amitabha; Kushwaha, Archana; Das, Dipanwita; Ghosh, Rajib

2018-03-07

We report the photophysical properties and excited state dynamics of 9-anthrylbenzimidazole (ANBI) which exhibits protonation-induced molecular rotor properties. In contrast to the highly emissive behavior of neutral ANBI, protonation of the benzimidazole group of ANBI induces efficient nonradiative deactivation by ultrafast torsional motion around the bond connecting the anthracene and benzimidazole units, as revealed by ultrafast transient absorption and fluorescence spectroscopy. Contrary to viscosity-independent fluorescence of neutral dyes, protonated ANBI is shown to display linear variation of emission yield and lifetime with solvent viscosity. The protonation-induced molecular rotor properties in the studied system are shown to be driven by enhanced charge transfer and are corroborated by quantum chemical calculations. Potential application as a microviscosity sensor of acidic regions in a heterogeneous environment by these proton-activated molecular rotor properties of ANBI is discussed.

Proton and heavy ion acceleration by stochastic fluctuations in the Earth's magnetotail

Directory of Open Access Journals (Sweden)

F. Catapano

2016-10-01

Full Text Available Spacecraft observations show that energetic ions are found in the Earth's magnetotail, with energies ranging from tens of keV to a few hundreds of keV. In this paper we carry out test particle simulations in which protons and other ion species are injected in the Vlasov magnetic field configurations obtained by Catapano et al. (2015. These configurations represent solutions of a generalized Harris model, which well describes the observed profiles in the magnetotail. In addition, three-dimensional time-dependent stochastic electromagnetic perturbations are included in the simulation box, so that the ion acceleration process is studied while varying the equilibrium magnetic field profile and the ion species. We find that proton energies of the order of 100 keV are reached with simulation parameters typical of the Earth's magnetotail. By changing the ion mass and charge, we can study the acceleration of heavy ions such as He+ +  and O+, and it is found that energies of the order of 100–200 keV are reached in a few seconds for He+ + , and about 100 keV for O+.

Comparing Laser Desorption Ionization and Atmospheric Pressure Photoionization Coupled to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry To Characterize Shale Oils at the Molecular Level

Science.gov (United States)

Cho, Yunjo; Jin, Jang Mi; Witt, Matthias; Birdwell, Justin E.; Na, Jeong-Geol; Roh, Nam-Sun; Kim, Sunghwan

2013-01-01

Laser desorption ionization (LDI) coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to analyze shale oils. Previous work showed that LDI is a sensitive ionization technique for assessing aromatic nitrogen compounds, and oils generated from Green River Formation oil shales are well-documented as being rich in nitrogen. The data presented here demonstrate that LDI is effective in ionizing high-double-bond-equivalent (DBE) compounds and, therefore, is a suitable method for characterizing compounds with condensed structures. Additionally, LDI generates radical cations and protonated ions concurrently, the distribution of which depends upon the molecular structures and elemental compositions, and the basicity of compounds is closely related to the generation of protonated ions. This study demonstrates that LDI FT-ICR MS is an effective ionization technique for use in the study of shale oils at the molecular level. To the best of our knowledge, this is the first time that LDI FT-ICR MS has been applied to shale oils.

[Ion channels that are sensitive to the extracellular concentration of protons: their structure, function, pharmacology and pathophysiology].

Science.gov (United States)

Mercado, F; Vega, R; Soto, E

Acid sensing ion channels (ASIC) members of the ENaC degenerine channel family, have been shown to participate in various sensorial pathways including nociception, also they have been shown to participate in synaptic transmission, learning and memory processes and in the physiopathology of the ischemic stroke. The proton concentration in the organism is strictly regulated by distinct buffer systems. Drastic changes of pH are generated only by pathological conditions as is the ischemia; however, some physiological processes may produce local changes in the extracellular pH. Recently, a new family of proton receptors known as ASIC has been cloned. These are ionic channels inactivated at physiological pH (7.4) and activated with a pH fall (increase in H+ concentration). ASICs are permeable to sodium ions and in a lesser degree to calcium ions, activation of these channels leads to an increase in cell excitability. The ASICs are distributed widely in the central and peripheral nervous system, and in specialized epithelia. In the past few years they have become a focus of interest due to its role in nociception, taste perception, long term potentation and the physiopathology of ischemic stroke. In this review we address the most relevant molecular, physiological and pharmacological aspects of the ASICs, its participation in some pathological process, and the perspectives of basic and clinic investigation in this arising research field.

Proton affinity of the histidine-tryptophan cluster motif from the influenza A virus from ab initio molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Bankura, Arindam; Klein, Michael L.; Carnevale, Vincenzo, E-mail: vincenzo.carnevale@temple.edu

2013-08-30

Highlights: • The estimated pK{sub a} is in agreement with the experimental one. • The affinity for protons is similar to that of a histidine residue in aqueous solution. • The electrostatic environment is responsible for the stabilization of the charged imidazolium moiety. - Abstract: Ab initio molecular dynamics calculations have been used to compare and contrast the deprotonation reaction of a histidine residue in aqueous solution with the situation arising in a histidine-tryptophan cluster. The latter is used as a model of the proton storage unit present in the pore of the M2 proton conducting ion channel. We compute potentials of mean force for the dissociation of a proton from the Nδ and N∊ positions of the imidazole group to estimate the pK{sub a}s. Anticipating our results, we will see that the estimated pK{sub a} for the first protonation event of the M2 channel is in good agreement with experimental estimates. Surprisingly, despite the fact that the histidine is partially desolvated in the M2 channel, the affinity for protons is similar to that of a histidine in aqueous solution. Importantly, the electrostatic environment provided by the indoles is responsible for the stabilization of the charged imidazolium.

Production and sympathetic cooling of complex molecular ions

Energy Technology Data Exchange (ETDEWEB)

Zhang, Chaobo

2008-06-24

This thesis reports on experimental and theoretical studies of the sympathetic cooling of complex molecular ions demonstrating that this general method for cooling atomic and molecular ions is reliable and efficient. For this purpose, complex molecular ions and barium ions have been confined simultaneously in a linear Paul trap. The complex molecular ions are generated in an electrospray ionization system and transferred to the trap via a 2 m long octopole ion guide. These molecular ions are pre-cooled by room temperature helium buffer gas so that they can be captured by the trap. The atomic barium ions are loaded from a barium evaporator oven and are laser-cooled by a 493 nm cooling laser and a 650 nm repumping laser. Due to the mutual Coulomb interaction among these charged particles, the kinetic energy of the complex molecular ions can be reduced significantly. In our experiments we have demonstrated the sympathetic cooling of various molecules (CO{sub 2}, Alexa Fluor 350, glycyrrhetinic acid, cytochrome c) covering a wide mass range from a few tens to 13000 amu. In every case the molecular ions could be cooled down to millikelvin temperatures. Photo-chemical reactions of the {sup 138}Ba{sup +} ions in the ({sup 2}P{sub 1/2}) excited state with gases such as O{sub 2}, CO{sub 2}, or N{sub 2}O, could be observed. If the initial {sup 138}Ba{sup +} ion ensemble is cold, the produced {sup 138}BaO{sup +} ions are cold as well, with a similar temperature as the laser-cooled barium ions (a few tens of millikelvin). The back-reaction of {sup 138}BaO{sup +} ions with neutral CO to {sup 138}Ba{sup +} is possible and was observed in our experiments as well. A powerful molecular dynamics (MD) simulation program has been developed. With this program dynamic properties of ion ensembles, such as sympathetic interactions or heating effects, have been investigated and experimental results have been analyzed to obtain, for example, ion numbers and temperatures. Additionally, the

Production and sympathetic cooling of complex molecular ions

International Nuclear Information System (INIS)

Zhang, Chaobo

2008-01-01

This thesis reports on experimental and theoretical studies of the sympathetic cooling of complex molecular ions demonstrating that this general method for cooling atomic and molecular ions is reliable and efficient. For this purpose, complex molecular ions and barium ions have been confined simultaneously in a linear Paul trap. The complex molecular ions are generated in an electrospray ionization system and transferred to the trap via a 2 m long octopole ion guide. These molecular ions are pre-cooled by room temperature helium buffer gas so that they can be captured by the trap. The atomic barium ions are loaded from a barium evaporator oven and are laser-cooled by a 493 nm cooling laser and a 650 nm repumping laser. Due to the mutual Coulomb interaction among these charged particles, the kinetic energy of the complex molecular ions can be reduced significantly. In our experiments we have demonstrated the sympathetic cooling of various molecules (CO 2 , Alexa Fluor 350, glycyrrhetinic acid, cytochrome c) covering a wide mass range from a few tens to 13000 amu. In every case the molecular ions could be cooled down to millikelvin temperatures. Photo-chemical reactions of the 138 Ba + ions in the ( 2 P 1/2 ) excited state with gases such as O 2 , CO 2 , or N 2 O, could be observed. If the initial 138 Ba + ion ensemble is cold, the produced 138 BaO + ions are cold as well, with a similar temperature as the laser-cooled barium ions (a few tens of millikelvin). The back-reaction of 138 BaO + ions with neutral CO to 138 Ba + is possible and was observed in our experiments as well. A powerful molecular dynamics (MD) simulation program has been developed. With this program dynamic properties of ion ensembles, such as sympathetic interactions or heating effects, have been investigated and experimental results have been analyzed to obtain, for example, ion numbers and temperatures. Additionally, the feasibility of nondestructive spectroscopy via an optical dipole excitation

Sodium ions as substitutes for protons in the gastric H,K-ATPase

International Nuclear Information System (INIS)

Polvani, C.; Sachs, G.; Blostein, R.

1989-01-01

In view of the striking homology among various ion-translocating ATPases including Na,K-ATPase, Ca-ATPase, and H,K-ATPase, and the recent evidence that protons can replace cytoplasmic sodium as well as potassium in the reaction mechanism of the Na,K-ATPase (Polvani, C., and Blostein, R. (1988) J. Biol. Chem. 263, 16757-16763), we studied the role of sodium as a substitute for protons in the H,K-ATPase reaction. Using hog gastric H,K-ATPase-rich inside-out membrane vesicles we observed 22Na+ influx which was stimulated by intravesicular potassium ions (K+i) at pH 8.5 but not at pH 7.1. This sodium influx was observed in medium containing ATP and was inhibited by vanadate and SCH28080, a selective inhibitor of the gastric H,K-ATPase. At least 2-fold accumulation of sodium was observed at pH 8.5. Experiments aimed to determine the sidedness of the alkaline pH requirement for K+i-dependent sodium influx showed that K+i-activated sodium influx depends on pHout and is unaffected by changes in pHin. These results support the conclusion that sodium ions substitute for protons in the H,K-ATPase reaction mechanism and provide evidence for a similarity in ion selectivity and/or binding domains of the Na,K-ATPase and the gastric H,K-ATPase enzymes

Commissioning of the ECR ion source of the high intensity proton injector of the Facility for Antiproton and Ion Research (FAIR)

Science.gov (United States)

Tuske, O.; Chauvin, N.; Delferriere, O.; Fils, J.; Gauthier, Y.

2018-05-01

The CEA at Saclay is in charge of developing and building the ion source and the low energy line of the proton linac of the FAIR (Facility for Antiproton and Ion Research) accelerator complex located at GSI (Darmstadt) in Germany. The FAIR facility will deliver stable and rare isotope beams covering a huge range of intensities and beam energies for experiments in the fields of atomic physics, plasma physics, nuclear physics, hadron physics, nuclear matter physics, material physics, and biophysics. A significant part of the experimental program at FAIR is dedicated to antiproton physics that requires an ultimate number 7 × 1010 cooled pbar/h. The high-intensity proton beam that is necessary for antiproton production will be delivered by a dedicated 75 mA/70 MeV proton linac. A 2.45 GHz microwave ion source will deliver a 100 mA H+ beam pulsed at 4 Hz with an energy of 95 keV. A 2 solenoids low energy beam transport line allows the injection of the proton beam into the radio frequency quadrupole (RFQ) within an acceptance of 0.3π mm mrad (norm. rms). An electrostatic chopper system located between the second solenoid and the RFQ is used to cut the beam macro-pulse from the source to inject 36 μs long beam pulses into the RFQ. At present time, a Ladder-RFQ is under construction at the University of Frankfurt. This article reports the first beam measurements obtained since mid of 2016. Proton beams have been extracted from the ECR ion source and analyzed just after the extraction column on a dedicated diagnostic chamber. Emittance measurements as well as extracted current and species proportion analysis have been performed in different configurations of ion source parameters, such as magnetic field profile, radio frequency power, gas injection, and puller electrode voltage.

Improvement of proton source based on cylindrical inertial electrostatic confinement fusion with ion source

International Nuclear Information System (INIS)

Yamauchi, Kunihito; Ohura, Sonoe; Tashiro, Atsushi; Watanabe, Masato; Okino, Akitoshi; Kohno, Toshiyuki; Hotta, Eiki; Yuura, Morimasa

2005-01-01

Inertial Electrostatic Confinement Fusion (IECF) device is a compact fusion proton/neutron source with an extremely simple configuration, high controllability, and hence high safety. Therefore, it has been studied for practical use as a portable neutron/proton source for various applications such as landmine detection and medical positron emission tomography. However, some problems remain for the practical use, and the most critical one is the insufficiency of absolute neutron/proton yields. In this study, a new IECF device was designed and tested to obtain high neutron/proton yields. The key features of the new device are the cylindrical electrode configuration in consideration of better electrostatic confinement of ions and extraction of protons, and an integrated ion source that consists of sixteen ferrite magnets and biasing the grid anode. To investigate the performance characteristics of the device and the effect of the ion source, three kinds of experimental setup were used for comparison. At first, the device was operated with the basic setup. Then a cusp magnetic field was applied by using ferrite magnets, and the grid anode was negatively biased. As a result, it was confirmed that the ion source works effectively. At the same voltage and current, the obtained neutron production rate was about one order of magnitude higher than that of the conventional spherical IECF device. The maximum neutron production rate of 6.8x10 9 n/s was obtained at a pulsed discharge of -70 kV and 10 A with an anode bias voltage of -1.0 kV. (author)

Induction of anchorage-independent growth in primary human cells exposed to protons or HZE ions separately or in dual exposures.

Science.gov (United States)

Sutherland, B M; Cuomo, N C; Bennett, P V

2005-10-01

Travelers on space missions will be exposed to a complex radiation environment that includes protons and heavy charged particles. Since protons are present at much higher levels than are heavy ions, the most likely scenario for cellular radiation exposure will be proton exposure followed by a hit by a heavy ion. Although the effects of individual ion species on human cells are being investigated extensively, little is known about the effects of exposure to both radiation types. One useful measure of mammalian cell damage is induction of the ability to grow in a semi-solid agar medium highly inhibitory to the growth of normal human cells, termed neoplastic transformation. Using primary human cells, we evaluated induction of soft-agar growth and survival of cells exposed to protons only or to heavy charged particles (600 MeV/nucleon silicon) only as well as of cells exposed to protons followed after a 4-day interval by silicon ions. Both ions alone efficiently transformed the human cells to anchorage-independent growth. Initial experiments indicate that the dose responses for neoplastic transformation of cells exposed to protons and then after 4 days to silicon ions appear similar to that of cells exposed to silicon ions alone.

Understanding Molecular Ion-Neutral Atom Collisions for the Production of Ultracold Molecular Ions

Science.gov (United States)

2016-06-06

2012): 0. doi: 10.1103/PhysRevLett.109.223002 Kuang Chen, Scott T. Sullivan, Wade G. Rellergert, Eric R. Hudson. Measurement of the Coulomb Logarithm...or fellowships for further studies in science, mathematics, engineering or technology fields: Student Metrics This section only applies to graduating...clouds of Ba+ ions and Ca atoms. Due to the strong Coulomb interaction, the Ba+ ions quickly cool the molecular ion translation motion, while the

Structure of Ion Outflow in the Martian Magnetotail

Science.gov (United States)

McFadden, J. P.; Mitchell, D.; Luhmann, J. G.; Connerney, J. E. P.; Jakosky, B. M.

2017-12-01

The Suprathermal And Thermal Ion Composition (STATIC) sensor on the MAVEN spacecraft provides a detailed look at the structure of ion outflow in the Martian magnetotail including ion composition, energization, and flow. Mars' magnetotail contains a mixture of cold (multi-species ions, tailward-moving cold multi-species ions, suprathermal ions of a few tens of eV, warm (about 100 eV) proton populations, and heavy (primarily O+) pickup ions at energies from 1 to 10 keV which may display several simultaneous peaks in energy flux. The cold tailward-moving ions represent a significant fraction of the Martian ion loss, perhaps comparable to loses from molecular oxygen dissociation. The suprathermal tail that accompanies the cold ions varies greatly and provides clues to ion escape. The warm protons, on first examination, appear to be of sheath origin, displaying a similar energy distribution and accompanied by a tenuous warm population at M/Q=2 (which could be either solar wind alphas or molecular hydrogen ions of ionospheric origin). STATIC produces a weak ghost peak at M/Q=11-12 when observing molecular hydrogen ions, but not alphas, often allowing the instrument to distinguish the source of protons. Measurements show the warm protons are of ionospheric origin in the central tail and transition to sheath plasma in the umbra. Energetic (1-10 keV) pickup oxygen in the magnetotail is produced on the nightside, near the pole where the IMF convection electric field points toward the planet, the same hemisphere where sputtering occurs. When two spectral peaks are observed, these tailward-moving ions differ in direction by relatively small angles (about 20 degrees). These peaks can persist for tens of minutes indicating approximately time-stationary acceleration, and therefore acceleration in potential fields. Magnetotail structure and geometry can be inferred not only from the local magnetic field, but also from the measured electron distributions which indicate source

Molecular ions in the laboratory and in space

Energy Technology Data Exchange (ETDEWEB)

McCarthy, Michael C. [Atomic and Molecular Physics Division, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts, 02138 (United States)

2015-01-22

Molecular ions play a central role in the gas-phase chemistry of the interstellar medium; they also provide information on the physical conditions in astronomical sources (e.g., fractional ionization), and in some cases can be used to infer the abundance of nonpolar molecules such as N{sub 2} and CO{sub 2} which can not be observed in the radio band. During the past four years, the rotational spectra of six carbon-chain anions (C{sub 2}H{sup −}, C{sub 4}H{sup −}, C{sub 6}H{sup −}, C{sub 8}H{sup −}, CN{sup −}, C{sub 3}N{sup −}), NCO{sup −} and seven protonated species (HSCO{sup +}, HSCS{sup +}, cis- and trans-HOSO{sup +}, H{sub 2}NCO{sup +}, HNCOH{sup +}, and HNNO{sup +}) have been detected in our laboratory. On the basis of dedicated astronomical searches, all of the carbon-chain anions except C{sub 2}H{sup −} have now been identified in space. In addition to highlighting recent work on carbon-chain anions and protonated HSO{sub 2}{sup +}, efforts to better understand the distribution of anions in space using C{sub 6}H{sup −} as a tracer for negative charge are described.

Evaluation of exome variants using the Ion Proton Platform to sequence error-prone regions.

Science.gov (United States)

Seo, Heewon; Park, Yoomi; Min, Byung Joo; Seo, Myung Eui; Kim, Ju Han

2017-01-01

The Ion Proton sequencer from Thermo Fisher accurately determines sequence variants from target regions with a rapid turnaround time at a low cost. However, misleading variant-calling errors can occur. We performed a systematic evaluation and manual curation of read-level alignments for the 675 ultrarare variants reported by the Ion Proton sequencer from 27 whole-exome sequencing data but that are not present in either the 1000 Genomes Project and the Exome Aggregation Consortium. We classified positive variant calls into 393 highly likely false positives, 126 likely false positives, and 156 likely true positives, which comprised 58.2%, 18.7%, and 23.1% of the variants, respectively. We identified four distinct error patterns of variant calling that may be bioinformatically corrected when using different strategies: simplicity region, SNV cluster, peripheral sequence read, and base inversion. Local de novo assembly successfully corrected 201 (38.7%) of the 519 highly likely or likely false positives. We also demonstrate that the two sequencing kits from Thermo Fisher (the Ion PI Sequencing 200 kit V3 and the Ion PI Hi-Q kit) exhibit different error profiles across different error types. A refined calling algorithm with better polymerase may improve the performance of the Ion Proton sequencing platform.

Evaluation of exome variants using the Ion Proton Platform to sequence error-prone regions.

Directory of Open Access Journals (Sweden)

Heewon Seo

Full Text Available The Ion Proton sequencer from Thermo Fisher accurately determines sequence variants from target regions with a rapid turnaround time at a low cost. However, misleading variant-calling errors can occur. We performed a systematic evaluation and manual curation of read-level alignments for the 675 ultrarare variants reported by the Ion Proton sequencer from 27 whole-exome sequencing data but that are not present in either the 1000 Genomes Project and the Exome Aggregation Consortium. We classified positive variant calls into 393 highly likely false positives, 126 likely false positives, and 156 likely true positives, which comprised 58.2%, 18.7%, and 23.1% of the variants, respectively. We identified four distinct error patterns of variant calling that may be bioinformatically corrected when using different strategies: simplicity region, SNV cluster, peripheral sequence read, and base inversion. Local de novo assembly successfully corrected 201 (38.7% of the 519 highly likely or likely false positives. We also demonstrate that the two sequencing kits from Thermo Fisher (the Ion PI Sequencing 200 kit V3 and the Ion PI Hi-Q kit exhibit different error profiles across different error types. A refined calling algorithm with better polymerase may improve the performance of the Ion Proton sequencing platform.

Protonation sites of aromatic compounds in (+) atmospheric pressure photoionization

Energy Technology Data Exchange (ETDEWEB)

Kim, Sung Hwan; Ahmed, Arif [Dept. of Chemistry, Kyungpoo k National University, Daegu (Korea, Republic of)

2017-02-15

Reaction enthalpy of hydrogen transfer reactions of aromatic compounds has been observed to be greatly affected by the exact location of the protonation site. Therefore, to clearly identify the protonation location, each candidate protonation site for 43 aromatic compounds were theoretically determined and their location was compared with that determined based on experimental MS data. Only the basic nitrogen atom is favorable as a protonation site for pyridine-type aromatic compounds, whereas carbon atoms are preferable for the protonation of pyrrole-type compounds. The most favorable protonation sites for aniline or methylated aniline-type aromatic compounds are either the nitrogen atom in the amine group or the carbon atom at the para-position to the amine group. Like pyrrole-type compounds, aromatic compounds with amine groups also favor protonation at the carbon atom instead of at the nitrogen atom. In addition, hydrocarbons having an anthracene structural motif without heteroatoms produced higher or equal percentages of protonated ions compared to that achieved with molecular ions. The results of this study can be used to improve the analyses of aromatic compounds.

Development of ion/proton beam equipment for industrial uses

Energy Technology Data Exchange (ETDEWEB)

Choi, Byung Ho; Lee, J. H.; Cho, Y. S.; Joo, P. K.; Kang, S. S.; Song, W. S.; Kim, H. J.; Chang, G. H.; Bang, S. W

1999-12-01

KAERI has possessed design and fabrication technologies of various ion sources including Duoplasmatron and DuoPiGatron developed by R and D projects of the long-term nuclear technology development program. In order to industrialize ion beam equipments utilizing these ion sources, a technology transfer project for a technology transfer project for a domestic firm has been performed. Under this project, engineers of the firm have been trained through classroom lectures of ion beam principles and OJT, an ion/proton beam equipment (DEMO equipment) has been designed, assembled and commissioned jointly with the engineers. Quality of the ion sources has been quantified, and technologies for ion beam equipment construction, functional test and application research have been developed. The DEMO equipment, which consists of an ion source, power supplies, vacuum, cooling and target systems, has been fabricated and tested to secure stability and reliability for industrial uses. Various characteristic tests including high voltage insulation, beam extraction, beam current measuring, etc. have been performed. This DEMO can be utilized for ion sources development as well as ion beam process development for various industrial products. Engineers of the firm have been trained for the industrialization of ion beam equipment and joined in beam application technology development to create industrial needs of beam equipment. (author)

Recharging of a screened ion on the molecular ion

International Nuclear Information System (INIS)

Karbovanets, M.I.; Lazur, V.Yu.; Yudin, G.L.; Gosudarstvennyj Komitet po Ispol'zovaniyu Atomnoj Ehnergii SSSR, Obninsk. Fiziko-Ehnergeticheskij Inst.)

1987-01-01

Charge exchange of a screened ion on a molecular ion is studied in the Oppenheimer-Brinkman-Cramers approximation. To calculate ion exchange probabilities and cross sections summed over the final degenerated electron states method of Green functions analogous to that applied earlier in the direct Coulomb excitation theory and atomic ionization is developed

Proton polarizing system with Ar-ion laser for p-vector-RI scattering experiments

International Nuclear Information System (INIS)

Wakui, T.; Hatano, M.; Sakai, H.; Uesaka, T.; Tamii, A.

2005-01-01

A proton polarizing system for use in scattering experiments with radioactive isotope beams is described. Protons in a naphthalene crystal doped with pentacene are polarized in a magnetic field of 0.3T at 100K by transferring a large population difference among the photo-excited triplet states of pentacene to the hydrogen nuclei. An Ar-ion laser, which demands minimal maintenance during scattering experiments, is employed to excite the pentacene molecules. A proton polarization of 37% is obtained

Molecular ions, Rydberg spectroscopy and dynamics

International Nuclear Information System (INIS)

Jungen, Ch.

2015-01-01

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering

Molecular ions, Rydberg spectroscopy and dynamics

Energy Technology Data Exchange (ETDEWEB)

Jungen, Ch. [Laboratoire Aimé Cotton, Université de Paris-Sud, 91405 Orsay (France)

2015-01-22

Ion spectroscopy, Rydberg spectroscopy and molecular dynamics are closely related subjects. Multichannel quantum defect theory is a theoretical approach which draws on this close relationship and thereby becomes a powerful tool for the study of systems consisting of a positively charged molecular ion core interacting with an electron which may be loosely bound or freely scattering.

Comparison of protons, carbon and fullerene impacts on a carbon cylinder

CERN Document Server

Webb, R P

2003-01-01

The use of protons in radiation treatment has been much studied and is widely used in the treatment of cancer cells. The proton causes damage to the strands of DNA in the cells largely by interaction with the electronic system. The proton interactions largely result in bond breakage in the DNA molecules. Sometimes the resulting damage to the DNA molecule is insufficient to cause both strands of the molecule to be broken and consequently the cell can reproduce despite being irradiated. Heavy ion therapy using carbon ions has been used to try and introduce more damage into the molecule structure, ensuring that both strands of the DNA are broken and hence preventing the cell from replicating. However, it seems that even the use of ions as heavy as carbon still result in DNA that is not fully damaged. The simulations reported here form a preliminary investigation on the possible use of a molecular species to deliver multiple impacting particles to the molecular structure thereby increasing the energy density of t...

Electron capture by fast protons from helium-like ions

International Nuclear Information System (INIS)

Samanta, R.; Purkait, M.

2011-01-01

Four-body formalism of boundary corrected continuum intermediate state (BCCIS-4B) approximation have been applied to calculate the single-electron capture cross sections by fast protons through some helium-like ions in a large energy range from 30-1000 keV. In this model, distortion has been taken into account in the entrance channel. In the final channel, the passive electron plays the role of screening of the target ion. However, continuum states of the projectile and the electron in the field of the residual target ion are included. The comparison of the results is made with those of other theoretical investigations and experimental findings. The present calculated results are found to be in good agreement with the available experimental findings. (authors)

Molecular and negative ion production by a standard electron cyclotron resonance ion source

Energy Technology Data Exchange (ETDEWEB)

Racz, R. [Institute of Nuclear Research (ATOMKI), Bem ter 18/c, H-4026 Debrecen (Hungary); University of Debrecen, Egyetem ter 1, H-4010 Debrecen (Hungary); Biri, S.; Juhasz, Z.; Sulik, B. [Institute of Nuclear Research (ATOMKI), Bem ter 18/c, H-4026 Debrecen (Hungary); Palinkas, J. [University of Debrecen, Egyetem ter 1, H-4010 Debrecen (Hungary)

2012-02-15

Molecular and negative ion beams, usually produced in special ion sources, play an increasingly important role in fundamental and applied atomic physics. The ATOMKI-ECRIS is a standard ECR ion source, designed to provide highly charged ion (HCI) plasmas and beams. In the present work, H{sup -}, O{sup -}, OH{sup -}, O{sub 2}{sup -}, C{sup -}, C{sub 60}{sup -} negative ions and H{sub 2}{sup +}, H{sub 3}{sup +}, OH{sup +}, H{sub 2}O{sup +}, H{sub 3}O{sup +}, O{sub 2}{sup +} positive molecular ions were generated in this HCI-ECRIS. Without any major modification in the source and without any commonly applied tricks (such as usage of cesium or magnetic filter), negative ion beams of several {mu}A and positive molecular ion beams in the mA range were successfully obtained.

Channeling of molecular ions with relativistic energy

International Nuclear Information System (INIS)

Azuma, Toshiyuki; Muranaka, Tomoko; Kondo, Chikara; Hatakeyama, Atsushi; Komaki, Kenichiro; Yamazaki, Yasunori; Takabayashi, Yuichi; Murakami, Takeshi; Takada, Eiichi

2003-01-01

When energetic ions are injected into a single crystal parallel to a crystal axis or plane, they proceed in an open space guided by the crystal potential without colliding with atoms in the atomic plane or string, which is called channeling. We aimed to study dynamics of molecular ions, H 2 + , of 160 MeV/u and their fragment ions, H + ions in a Si crystal under the channeling condition. The molecular ions, H 2 + , are soon ionized, i.e. electron-stripped in the crystal, and a pair of bare nuclei, H + ions, travels in the crystal potential with mutual Coulomb repulsion. We developed a 2D position sensitive detector for the angular-distribution measurement of the H + ions transmitted through the crystal, and observed the detailed angular distribution. In addition we measured the case of H + on incidence for comparison. As a result, the channeled component and non-channeling were clearly separated. The incident angular divergence is critical to discuss the effect of Coulomb explosion of molecular H 2 + ions. (author)

An Antiproton Ion Collider (AIC) for Measuring Neutron and Proton Distributions in Stable and Radioactive Nuclei

International Nuclear Information System (INIS)

Kienle, Paul

2005-01-01

An antiproton-ion collider is proposed to independently determine mean square radii for protons and neutrons in stable and short lived nuclei by means of antiproton absorption at medium energies. The experiment makes use of the electron ion collider complex (ELISE) of the GSI FAIR project with appropriate modifications of the electron ring to store, cool and collide antiprotons of 30 MeV energy with 740A MeV energy ions.The total absorption cross-section of antiprotons by the stored ions will be measured by detecting their loss by means of the Schottky noise spectroscopy method. Cross sections for the absorption on protons and neutrons, respectively, will be studied by detection of residual nuclei with A-1 either by the Schottky method or by analysing them in recoil detectors after the first dipole stage of the NESR following the interaction zone. With a measurement of the A-1 fragment momentum distribution, one can test the momentum wave functions of the annihilated neutron and proton, respectively. Furthermore by changing the incident ion energy the tails of neutron and proton distribution can be measured.The absorption cross section is at asymptotic energies in leading order proportional to the mean square radius of the nucleus. Predicted cross sections and luminosities show that the method is applicable to nuclei with production rates of about 105 s-1 or lower, depending on the lifetime of the ions in the NESR, and for half-lives down to 1 second

High intensity negative proton beams from a SNICS ion source

International Nuclear Information System (INIS)

Evans, C.R.; Hollander, M.G.

1991-01-01

For the past year we have been involved in a project to develop an intense (> 100μA) negative proton beam from a SNICS (Source of Negative Ions by Cesium Sputtering) ion source. This report will cover how we accomplished and exceeded this goal by more than 40%. Included in these observations will be the following: A description of an effective method for making titanium hydride cathodes. How to overcome the limitations of the titanium hydride cathode. The modification of the SNICS source to improve output; including the installation of the conical ionizer and the gas cathode. A discussion of problems including: poisoning the proton beam with oxygen, alternative gas cathode materials, the clogging of the gas inlet, long burn-in times, and limited cathode life times. Finally, how to optimize source performance when using a gas cathode, and what is the mechanism by which a gas cathode operates; facts, fantasies, or myth

Desorption of Cs+ ions with fast incident atomic and molecular ions

International Nuclear Information System (INIS)

Salehpour, M.; Hunt, J.E.; Tou, L.C.; Hedin, A.; Sundqvist, B.

1988-01-01

Preliminary results on desorption yield measurements of secondary Cs + ions, desorbed as a result of the impact of C + , O + , CO + , O 2 + , CO 2 + and C 4 H 9 + incident ions, in the energy range of 950 keV--3.5 MeV are presented. Molecular beams are found to give high yields of secondary Cs + as a result of impact of O 2 + compared to O + incident ions, indicate no ''collective'' molecular effects. 23 refs., 1 fig

Dependence of proton beam polarization on ion source transition configurations; Determination de la polarisation du faisceau de protons pour les quatre configurations des transitions de la source d`ions

Energy Technology Data Exchange (ETDEWEB)

Arvieux, J.; Ausset, P.; Ball, J.; Beauvais, P.Y.; Bedfer, Y.; Chamouard, P.A.; Fontaine, J.M.; Kunne, R.; Lagniel, J.M.; Sans, J.L. [Laboratoire National Saturne - Centre d`Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France); Allgower, Ch.; Kasprzyk, T.E.; Spinka, H.M. [ANL-HEP, Argonne (United States); Bystricky, J.; Lehar, F.; Lesquen, A. de [CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. d`Astrophysique, de la Physique des Particules, de la Physique Nucleaire et de l`Instrumentation Associee; Demiere, Ph.; Rapin, D.; Teglia, A. [Geneva Univ. (Switzerland). Dept. de Physique Nucleaire et Corpusculaire; Janout, Z. [Czech Technical Univ., Prague (Czech Republic). Faculty of Civil Engineering; Kalinnikov, V.A.; Khachaturov, B.A.; Popov, A.A. [Laboratory of Nuclear Problems, JINR, Moscow (Russian Federation); Prokofiev, A.N.; Vikhrov, V.V.; Zhdanov, A.A. [Nuclear Physics Inst., St. Petersburg (Russian Federation)

1997-12-31

Considerable anomalies were observed in recorded pp elastic scattering spin dependent data at several proton beam energies at SATURNE II. These results suggested that the discrepancies are related to the polarized ion source. In order to understand the observed effects, the proton beam polarizations for each ion source state were determined separately. Convenient procedures, allowing to determine the beam polarization from a beam-line polarimeter are presented. Two distinct experiments are necessary for this purpose. In the first one the LEFT-RIGHT instrumental asymmetry of the beam polarimeter arms is determined. In the second one this correction factor is applied to asymmetries measured with the beam from the polarized ion source in different polarization states. Both experiments determined the scattering asymmetries for all four polarized source states as functions of different source parameters. The measurements were carried out at the proton beam kinetic energy 0.80 GeV, where the pp elastic scattering analyzing power is at its maximum. Results show that the so called `unpolarized states` of the source are polarized, whereas the absolute values of the beam polarizations in `polarized states` are equal. It was observed that the hexapole lens of the ion source provides some beam polarization in the absence of any transition. The beam polarization as function of the hexapole current, of the transition efficiencies and of the rotation solenoid current has been studied. It is also shown, how one way obtain a strictly unpolarized beam using the polarized source only. The results obtained with the SATURNE II ion source HYPERION may be also valid for other accelerators and sources. (authors) 10 refs.

The amazing world of smashed protons and lead ions

CERN Multimedia

Antonella Del Rosso

2013-01-01

When a single proton (p) is smashed against a lead ion (Pb), unexpected events may occur: in the most violent p-Pb collisions, correlations of particles exhibit similar features as in lead-lead collisions where quark-gluon plasma is formed. This and other amazing results were presented by the ALICE experiment at the SQM2013 conference held in Birmingham from 21 to 27 July.   Event display from the proton-lead run, in January 2013. This event was generated by the High Level Trigger (HLT) of the ALICE experiment. “Jet quenching” is one of the most powerful signatures of quark-gluon plasma (QGP) formed in high-energy lead-lead collisions. QGP is expected to exist only in specific conditions involving extremely hot temperatures and a very high particle concentration. These conditions are not expected to apply in the case of less “dense” particle collisions such as proton-lead collisions. “When we observe the results of these collisions in ALICE, ...

Dissociative recombination of small molecular ions

International Nuclear Information System (INIS)

Mul, P.M.

1981-01-01

In this thesis an analysis is given of merged electron-ion beam experiment and work on dissociative recombination of molecular ions and electrons is described. Chapter II covers a brief introduction of the theory of dissociative recombination. In chapter III, a description is given of the merged electron-ion beam experiment and a method is described which allows the determination of the mean angle between the electron and ion trajectories in a merged electron-ion beam experiment. In chapter IV a paper on the three dominant atmospheric diatomic ions NO + , O 2 + and N 2 + is presented and in chapter V the dissociative recombination for N 2 H + and N 2 D + is discussed. In chapter VI two papers on the polyatomic ions of the carbon-containing molecular ions are presented, and in chapter VII a letter with some results of the work presented in more detail in the chapters IV, V and VI is presented. The magnitude and the energy dependence of the cross-section measured by the merged beam technique and by other techniques is compared and discussed. (Auth.)

Differential regulation of proton-sensitive ion channels by phospholipids: a comparative study between ASICs and TRPV1.

Directory of Open Access Journals (Sweden)

Hae-Jin Kweon

Full Text Available Protons are released in pain-generating pathological conditions such as inflammation, ischemic stroke, infection, and cancer. During normal synaptic activities, protons are thought to play a role in neurotransmission processes. Acid-sensing ion channels (ASICs are typical proton sensors in the central nervous system (CNS and the peripheral nervous system (PNS. In addition to ASICs, capsaicin- and heat-activated transient receptor potential vanilloid 1 (TRPV1 channels can also mediate proton-mediated pain signaling. In spite of their importance in perception of pH fluctuations, the regulatory mechanisms of these proton-sensitive ion channels still need to be further investigated. Here, we compared regulation of ASICs and TRPV1 by membrane phosphoinositides, which are general cofactors of many receptors and ion channels. We observed that ASICs do not require membrane phosphatidylinositol 4-phosphate (PI(4P or phosphatidylinositol 4,5-bisphosphate (PI(4,5P2 for their function. However, TRPV1 currents were inhibited by simultaneous breakdown of PI(4P and PI(4,5P2. By using a novel chimeric protein, CF-PTEN, that can specifically dephosphorylate at the D3 position of phosphatidylinositol 3,4,5-trisphosphate (PI(3,4,5P3, we also observed that neither ASICs nor TRPV1 activities were altered by depletion of PI(3,4,5P3 in intact cells. Finally, we compared the effects of arachidonic acid (AA on two proton-sensitive ion channels. We observed that AA potentiates the currents of both ASICs and TRPV1, but that they have different recovery aspects. In conclusion, ASICs and TRPV1 have different sensitivities toward membrane phospholipids, such as PI(4P, PI(4,5P2, and AA, although they have common roles as proton sensors. Further investigation about the complementary roles and respective contributions of ASICs and TRPV1 in proton-mediated signaling is necessary.

Quantification of the Relative Biological Effectiveness for Ion Beam Radiotherapy: Direct Experimental Comparison of Proton and Carbon Ion Beams and a Novel Approach for Treatment Planning

International Nuclear Information System (INIS)

Elsaesser, Thilo; Weyrather, Wilma K.; Friedrich, Thomas; Durante, Marco; Iancu, Gheorghe; Kraemer, Michael; Kragl, Gabriele; Brons, Stephan; Winter, Marcus; Weber, Klaus-Josef; Scholz, Michael

2010-01-01

Purpose: To present the first direct experimental in vitro comparison of the biological effectiveness of range-equivalent protons and carbon ion beams for Chinese hamster ovary cells exposed in a three-dimensional phantom using a pencil beam scanning technique and to compare the experimental data with a novel biophysical model. Methods and Materials: Cell survival was measured in the phantom after irradiation with two opposing fields, thus mimicking the typical patient treatment scenario. The novel biophysical model represents a substantial extension of the local effect model, previously used for treatment planning in carbon ion therapy for more than 400 patients, and potentially can be used to predict effectiveness of all ion species relevant for radiotherapy. A key feature of the new approach is the more sophisticated consideration of spatially correlated damage induced by ion irradiation. Results: The experimental data obtained for Chinese hamster ovary cells clearly demonstrate that higher cell killing is achieved in the target region with carbon ions as compared with protons when the effects in the entrance channel are comparable. The model predictions demonstrate agreement with these experimental data and with data obtained with helium ions under similar conditions. Good agreement is also achieved with relative biological effectiveness values reported in the literature for other cell lines for monoenergetic proton, helium, and carbon ions. Conclusion: Both the experimental data and the new modeling approach are supportive of the advantages of carbon ions as compared with protons for treatment-like field configurations. Because the model predicts the effectiveness for several ion species with similar accuracy, it represents a powerful tool for further optimization and utilization of the potential of ion beams in tumor therapy.

Modeling of Jovian Auroral Polar Ion and Proton Precipitation

Science.gov (United States)

Houston, S. J.; Ozak, N. O.; Cravens, T.; Schultz, D. R.; Mauk, B.; Haggerty, D. K.; Young, J. T.

2017-12-01

Auroral particle precipitation dominates the chemical and physical environment of the upper atmospheres and ionospheres of the outer planets. Precipitation of energetic electrons from the middle magnetosphere is responsible for the main auroral oval at Jupiter, but energetic electron, proton, and ion precipitation take place in the polar caps. At least some of the ion precipitation is associated with soft X-ray emission with about 1 GW of power. Theoretical modeling has demonstrated that the incident sulfur and oxygen ion energies must exceed about 0.5 MeV/nucleon (u) in order to produce the measured X-ray emission. In this work we present a model of the transport of magnetospheric oxygen ions as they precipitate into Jupiter's polar atmosphere. We have revised and updated the hybrid Monte Carlo model originally developed by Ozak et al., 2010 to model the Jovian X-ray aurora. We now simulate a wider range of incident oxygen ion energies (10 keV/u - 5 MeV/u) and update the collision cross-sections to model the ionization of the atmospheric neutrals. The polar cap location of the emission and magnetosphere-ionosphere coupling both indicate the associated field-aligned currents must originate near the magnetopause or perhaps the distant tail. Secondary electrons produced in the upper atmosphere by ion precipitation could be accelerated upward to relativistic energies due to the same field-aligned potentials responsible for the downward ion acceleration. To further explore this, we simulate the effect of the secondary electrons generated from the heavy ion precipitation. We use a two-stream transport model that computes the secondary electron fluxes, their escape from the atmosphere, and characterization of the H2 Lyman-Werner band emission, including a predicted observable spectrum with the associated color ratio. Our model predicts that escaping electrons have an energy range from 1 eV to 6 keV, H2 band emission rates produced are on the order of 75 kR for an input

Selective Adsorption of Nano-bio materials and nanostructure fabrication on Molecular Resists Modified by proton beam irradiation

International Nuclear Information System (INIS)

Lee, H. W.; Kim, H. S.; Kim, S. M.

2008-04-01

The purpose of this research is the fabrication of nanostructures on silicon substrate using proton beam and selectively adsorption of bio-nano materials on the patterned substrate. Recently, the miniaturization of the integrated devices with fine functional structures was intensively investigated, based on combination of nanotechnology (NT), biotechnology (BT) and information technology (IT). Because of the inherent limitation in optical lithography, large variety of novel patterning technologies were evolved to construct nano-structures onto a substrate. Atomic force microscope-based nanolithography has readily formed sub-50 nm patterns by the local modification of a substrate using a probe with a curvature of 10 nm. The surface property was regarded as one of the most important factors for AFM-based nanolithography as well as for other novel nanolithographies. The molecular thin films such as a self-assembled monolayer or a polymer resist layer have been used as an alternative to modifying the surface property. Although proton or ion beam irradiation has been used as an efficient tool to modify the physical, chemical and electrical properties of a surface, the nano-patterning on the substrate or the molecular film modified with the beam irradiation has hardly been studied at both home and abroad. The selective adsorption of nano-bio materials such as carbon nanotubes and proteins on the patterns would contribute to developing the integrated devices. The polystyrene nanoparticles (400 nm) were arrayed on al silicon surface using nanosphere lithography and the various nanopatterns were fabricated by proton beam irradiation on the polystyrene nanoparticles arrayed silicon surface. We obtained the two different nanopatterns such as polymer nanoring patterns and silicon oxide patterns on the same silicon substrate. The polymer nanoring patterns formed by the crosslinkage of polystyrene when proton beam was irradiated at the triangular void spaces that are enclosed by

Microwave quantum logic spectroscopy and control of molecular ions

DEFF Research Database (Denmark)

Shi, M.; F. Herskind, P.; Drewsen, M.

2013-01-01

the rotational state of a molecular ion and the electronic state of an atomic ion. In this setting, the atomic ion is used for read-out of the molecular ion state, in a manner analogous to quantum logic spectroscopy based on Raman transitions. In addition to high-precision spectroscopy, this setting allows...... for rotational ground state cooling, and can be considered as a candidate for the quantum information processing with polar molecular ions. All elements of our proposal can be realized with currently available technology....

Physics with fast molecular-ion beams

International Nuclear Information System (INIS)

Kanter, E.P.

1980-01-01

Fast (MeV) molecular-ion beams provide a unique source of energetic projectile nuclei which are correlated in space and time. The recognition of this property has prompted several recent investigations of various aspects of the interactions of these ions with matter. High-resolution measurements on the fragments resulting from these interactions have already yielded a wealth of new information on such diverse topics as plasma oscillations in solids and stereochemical structures of molecular ions as well as a variety of atomic collision phenomena. The general features of several such experiments will be discussed and recent results will be presented

Present and future sources of protons and heavy ions

International Nuclear Information System (INIS)

Grunder, H.A.; Leemann, C.W.

1976-01-01

A brief outline of existing medical heavy-ion facilities is given. The beam specifications for future dedicated medical ion accelerators are discussed. Machines capable of delivering dose rates of approximately 1 krad/min in volumes of a few liters are shown to represent existing technology. A cost and performance analysis shows the synchrotrons to be the most economical source for the heavier ions while conventional cyclotrons seem optimal for an exclusive proton facility. It is seen that the incorporation of additional capabilities such as neutron generation or radioisotope production can be achieved at modest incremental costs. In addition to the accelerators, feasible layouts of hypothetical facilities are discussed, and three-dimensional beam scanning is shown to allow the irradiation of large volumes without sacrificing the precise dose localization capabilities of heavy-ion beams. Concepts of quality-controlled engineering and modern computer technology are introduced as a means to obtain the desired high degree of reliability and ease of operation and maintenance

Microscopic models for proton transfer in water and strongly hydrogen-bonded complexes with a single-well proton potential

DEFF Research Database (Denmark)

Kuznetsov, A.M.; Ulstrup, Jens

2004-01-01

A new mechanism and formalism for proton transfer in donor-acceptor complexes with long hydrogen bonds introduced recently [1], is applied to a proton transfer in liquid water. "Structural diffusion" of hydroxonium ions is regarded as totally adiabatic process, with synchronous hindered translation...... of two closest water molecules to and from the reaction complex as crucial steps. The water molecules induce a "gated" shift of the proton from the donor to the acceptor in the double-well potential with simultaneous breaking/formation of hydrogen bonds between these molecules and the proton donor...... and acceptor. The short-range and long-range proton transfer as "structural diffusion" of Zundel complexes is also considered. The theoretical formalism is illustrated with the use of Morse, exponential, and harmonic molecular potentials. This approach is extended to proton transfer in strongly hydrogen...

Dependence of isospin fractionation process on the neutron-proton ratio of a colliding system in intermediate energy heavy-ion collisions

International Nuclear Information System (INIS)

Xing Yongzhong; Liu Jianye; Fang Yutian; Guo Wenjun

2004-01-01

The degree of isospin fractionation is measured by the ratio of saturated neutron-proton: i.e. the ratio of gas phase (nucleon emission) to that of liquid phase (fragment emission) in heavy ion collisions. The authors have studied the dependence of the degree of isospin fractionation on the neutron-proton ratio in the colliding system by using isospin-dependent quantum molecular dynamical model. The calculated results show that the degree of isospin fractionation depends sensitively on the symmetry potential and weakly on the isospin effect of nucleon-nucleon cross section. In particular, the degree of isospin fractionation increases with increasing neutron-proton ratio in the colliding system for the neutron-rich system, in this process the neutron-rich gas phase and neutron-poor liquid phase are produced. The degree of isospin fractionation is very sensitive to the degree of symmetry potential. On the contrary, for the neutron-poor system the neutron-poor gas phase and neutron-rich liquid phase are produced. In this case, the degree of isospin fractionation is not sensitive to the symmetry potential. The authors also find that the role of momentum dependent interaction in the isospin fractionation process is not obvious. The authors propose that our calculated results can compared directly with the experimental data to get the information about the symmetry potential in the intermediate energy heavy-ion collisions

Facilitated ion transfer of protonated primary organic amines studied by square wave voltammetry and chronoamperometry

Energy Technology Data Exchange (ETDEWEB)

Torralba, E. [Departamento de Química Física, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Ortuño, J.A. [Departamento de Química Analítica, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Molina, A., E-mail: amolina@um.es [Departamento de Química Física, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Serna, C. [Departamento de Química Física, Facultad de Química, Universidad de Murcia, Murcia 30100 (Spain); Karimian, F. [Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)

2014-05-01

Highlights: • Facilitated ion transfer of organic protonated amines is studied. • Cyclic square wave voltammetry is used as main technique. • Complexation constants and standard ion transfer potentials are determined. • Diffusion coefficients in the organic and aqueous phases are determined. • The goodness of square wave voltammetry as analytical tool is shown. - Abstract: The transfer of the protonated forms of heptylamine, octylamine, decylamine, procaine and procainamide facilitated by dibenzo-18-crown-6 from water to a solvent polymeric membrane has been investigated by using cyclic square wave voltammetry. The experimental voltammograms obtained are in good agreement with theoretical predictions. The values of the standard ion transfer potential, complexation constant and diffusion coefficient in water have been obtained from these experiments, and have been used to draw some conclusions about the lipophilicity of these species and the relative stability of the organic ammonium complexes with dibenzo-18-crown-6. The results have been compared with those provided by linear sweep voltammetry. Calibration graphs were obtained with both techniques. An interesting chronoamperometric method for the determination of the diffusion coefficient of the target ion in the membrane has been developed and applied to all these protonated amines.

Evidence for radical anion formation during liquid secondary ion mass spectrometry analysis of oligonucleotides and synthetic oligomeric analogues: a deconvolution algorithm for molecular ion region clusters.

Science.gov (United States)

Laramée, J A; Arbogast, B; Deinzer, M L

1989-10-01

It is shown that one-electron reduction is a common process that occurs in negative ion liquid secondary ion mass spectrometry (LSIMS) of oligonucleotides and synthetic oligonucleosides and that this process is in competition with proton loss. Deconvolution of the molecular anion cluster reveals contributions from (M-2H).-, (M-H)-, M.-, and (M + H)-. A model based on these ionic species gives excellent agreement with the experimental data. A correlation between the concentration of species arising via one-electron reduction [M.- and (M + H)-] and the electron affinity of the matrix has been demonstrated. The relative intensity of M.- is mass-dependent; this is rationalized on the basis of base-stacking. Base sequence ion formation is theorized to arise from M.- radical anion among other possible pathways.

Molecular mechanisms controlling proton pumping by bacteriorhodopsin. Final report

Energy Technology Data Exchange (ETDEWEB)

Crouch, Rosalie K.; Ebrey, Thomas G.

2000-02-10

Bacteriorhodopsin (bR) is the simplest biological system for the transduction of light energy. Light energy is directly converted to transmembrane proton gradient by a single, small membrane protein. The extraordinary stability of bR makes it an outstanding subject for bioenergetic studies. This project has focused on the role of interactions between key residues of the pigment involved in light-induced proton transfer. Methods to estimate the strength of these interactions and their correlation with the rate and efficiency of proton transfer have been developed. The concept of the coupling of the protonation states of key groups has been applied to individual steps of the proton transfer with the ultimate goal of understanding on the molecular level the driving forces for proton transport and the pathway of the transported proton in bT. The mechanism of light-induced proton release, uptake and the mechanism of recovery of initial state of bT has been examined. The experiments were performed with genetically engineered, site-specific mutants of bR. This has enabled us to characterize the role of individual amino acid residues in bR. Time resolved and low temperature absorption spectroscopy and light-induced photocurrent measurements were used in order to study the photochemical cycle and proton transfer in mutant pigments. Chemical modification and crosslinking of both the specific amino acids to the chromophore or to other amino acids were used to elucidate the role of light-induced conformational changes in the photocycle and the structure of the protein in the ground state. The results of this project provided new knowledge on the architecture of the proton transfer pathways inside the protein, on the mechanism of proton release in bR, and on the role of specific amino acid residues in the structure and function of bR.

Comparative results on collimation of the SPS beam of protons and Pb ions with bent crystals

CERN Document Server

Scandale, W.; Assmann, R.; Bracco, C.; Cerutti, F.; Christiansen, J.; Gilardoni, S.; Laface, E.; Losito, R.; Masi, A.; Metral, E.; Mirarchi, D.; Montesano, S.; Previtali, V.; Redaelli, S.; Valentino, G.; Schoofs, P.; Smirnov, G.; Tlustos, L.; Bagli, E.; Baricordi, S.; Dalpiaz, P.; Guidi, V.; Mazzolari, A.; Vincenzi, D.; Dabagov, S.; Murtas, F.; Carnera, A.; Della Mea, G.; De Salvador, D.; Lombardi, A.; Lytovchenko, O.; Tonezzer, M.; Cavoto, G.; Ludovici, L.; Santacesaria, R.; Valente, P.; Galluccio, F.; Afonin, A.G.; Bulgakov, M.K.; Chesnokov, Yu.A.; Maisheev, V.A.; Yazynin, I.A.; Kovalenko, A.D.; Taratin, A.M.; Uzhinskiy, V.V.; Gavrikov, Yu.A.; Ivanov, Yu.M.; Lapina, L.P.; Skorobogatov, V.V.; Ferguson, W.; Fulcher, J.; Hall, G.; Pesaresi, M.; Raymond, M.; Rose, A.; Ryan, M.; Zorba, O.; Robert-Demolaize, G.; Markiewicz, T.; Oriunno, M.; Wienands, U.

2011-01-01

New experiments on crystal assisted collimation have been carried out at the CERN SPS with stored beams of 120 Gev/c protons and Pb ions. Bent silicon crystals of 2 mm long with about 170 mu rad bend angle and a small residual torsion were used as primary collimators. In channeling conditions, the beam loss rate induced by inelastic interactions of particles with the crystal nuclei is minimal. The loss reduction was about 6 for protons and about 3 for Pb ions. Lower reduction value for Pb ions can be explained by their considerably larger ionization losses in the crystal. In one of the crystals, the measured fraction of the Pb ion beam halo deflected in channeling conditions was 74\\%, a value very close to that for protons. The intensity of the off-momentum halo leaking out from the collimation station was measured in the first high dispersion area downstream. The particle population in the shadow of the secondary collimator-absorber was considerably smaller in channeling conditions than for amorphous orienta...

Study of crosslinking onset and hydrogen annealing of ultra-high molecular weight polyethylene irradiated with high-energy protons

Science.gov (United States)

Wilson, John Ford

1997-09-01

Ultra high molecular weight polyethylene (UHMW-PE) is used extensively in hip and knee endoprostheses. Radiation damage from the sterilization of these endoprostheses prior to surgical insertion results in polymer crosslinking and decreased oxidative stability. The motivation for this study was to determine if UHMW-PE could be crosslinked by low dose proton irradiation with minimal radiation damage and its subsequent deleterious effects. I found that low dose proton irradiation and post irradiation hydrogen annealing did crosslink UHMW-PE and limit post irradiation oxidation. Crosslinking onset was investigated for UHMW-PE irradiated with 2.6 and 30 MeV H+ ions at low doses from 5.7 × 1011-2.3 × 1014 ions/cm2. Crosslinking was determined from gel permeation chromatography (GPC) of 1,2,4 trichlorobenzene sol fractions and increased with dose. Fourier transform infrared spectroscopy (FTIR) showed irradiation resulted in increased free radicals confirmed from increased carbonyl groups. Radiation damage, especially at the highest doses observed, also showed up in carbon double bonds and increased methyl end groups. Hydrogen annealing after ion irradiation resulted in 40- 50% decrease in FTIR absorption associated with carbonyl. The hydrogen annealing prevented further oxidation after aging for 1024 hours at 80oC. Hydrogen annealing was successful in healing radiation damage through reacting with the free radicals generated during proton irradiation. Polyethylenes, polyesters, and polyamides are used in diverse applications by the medical profession in the treatment of orthopedic impairments and cardiovascular disease and for neural implants. These artificial implants are sterilized with gamma irradiation prior to surgery and the resulting radiation damage can lead to accelerated deterioration of the implant properties. The findings in this study will greatly impact the continued use of these materials through the elimination of many problems associated with radiation

Direct determination of recoil ion detection efficiency for coincidence time-of-flight studies of molecular fragmentation

International Nuclear Information System (INIS)

Ben-Itzhak, I.; Carnes, K.D.; Ginther, S.G.; Johnson, D.T.; Norris, P.J.; Weaver, O.L.

1993-01-01

Molecular fragmentation of diatomic and small polyatomic molecules caused by fast ion impact has been studied. The evaluation of the cross sections of the different fragmentation channels depends strongly on the recoil ion detection efficiency, ε r (single ions proportional to ε r , and ion pairs to ε 2 r , etc.). A method is suggested for the direct determination of this detection efficiency. This method is based on the fact that fast H + + CH 4 collisions produce C 2+ fragments only in coincidence with H + and H + 2 fragments, that is, there is a negligible number of C 2+ singles, if any. The measured yield of C 2+ singles is therefore due to events in which the H + m of the H + m + C 2+ ion pair was not detected and thus is proportional to 1 - ε r . Methane fragmentation caused by 1 MeV proton impact is used to evaluate directly the recoil ion detection efficiency and to demonstrate the method of deriving the cross sections of all breakup channels. (orig.)

Deamidation reactions of protonated asparagine and glutamine investigated by ion spectroscopy

NARCIS (Netherlands)

Kempkes, L.J.M.; Martens, J.K.; Grzetic, J.; Berden, G.; Oomens, J.

2016-01-01

RATIONALE: Deamidation of Asn and Gln residues is a primary route for spontaneous post-translational protein modification. Several structures have been proposed for the deamidation products of the protonated amino acids. Here we verify these structures by ion spectroscopy, as well as the structures

Charge-Neutral Constant pH Molecular Dynamics Simulations Using a Parsimonious Proton Buffer.

Science.gov (United States)

Donnini, Serena; Ullmann, R Thomas; Groenhof, Gerrit; Grubmüller, Helmut

2016-03-08

In constant pH molecular dynamics simulations, the protonation states of titratable sites can respond to changes of the pH and of their electrostatic environment. Consequently, the number of protons bound to the biomolecule, and therefore the overall charge of the system, fluctuates during the simulation. To avoid artifacts associated with a non-neutral simulation system, we introduce an approach to maintain neutrality of the simulation box in constant pH molecular dynamics simulations, while maintaining an accurate description of all protonation fluctuations. Specifically, we introduce a proton buffer that, like a buffer in experiment, can exchange protons with the biomolecule enabling its charge to fluctuate. To keep the total charge of the system constant, the uptake and release of protons by the buffer are coupled to the titration of the biomolecule with a constraint. We find that, because the fluctuation of the total charge (number of protons) of a typical biomolecule is much smaller than the number of titratable sites of the biomolecule, the number of buffer sites required to maintain overall charge neutrality without compromising the charge fluctuations of the biomolecule, is typically much smaller than the number of titratable sites, implying markedly enhanced simulation and sampling efficiency.

Proton and heavy ion acceleration by stochastic fluctuations in the Earth's magnetotail

Energy Technology Data Exchange (ETDEWEB)

Catapano, Filomena; Zimbardo, Gaetano; Perri, Silvia; Greco, Antonella [Calabria Univ., Rende (Italy). Dept. of Physics; Artemyev, Anton V. [Russian Academy of Science, Moscow (Russian Federation). Space Research Inst.; California Univ., Los Angeles, CA (United States). Dept. of Earth, Planetary, and Space Science and Inst. of Geophysics and Planetary Physics

2016-07-01

Spacecraft observations show that energetic ions are found in the Earth's magnetotail, with energies ranging from tens of keV to a few hundreds of keV. In this paper we carry out test particle simulations in which protons and other ion species are injected in the Vlasov magnetic field configurations obtained by Catapano et al. (2015). These configurations represent solutions of a generalized Harris model, which well describes the observed profiles in the magnetotail. In addition, three-dimensional time-dependent stochastic electromagnetic perturbations are included in the simulation box, so that the ion acceleration process is studied while varying the equilibrium magnetic field profile and the ion species. We find that proton energies of the order of 100 keV are reached with simulation parameters typical of the Earth's magnetotail. By changing the ion mass and charge, we can study the acceleration of heavy ions such as He{sup ++} and O{sup +}, and it is found that energies of the order of 100-200 keV are reached in a few seconds for He{sup ++}, and about 100 keV for O{sup +}.

Helium Ion Microscopy of proton exchange membrane fuel cell electrode structures

DEFF Research Database (Denmark)

Chiriaev, Serguei; Dam Madsen, Nis; Rubahn, Horst-Günter

2017-01-01

electrode interface structure dependence on ionomer content, systematically studied by Helium Ion Microscopy (HIM). A special focus was on acquiring high resolution images of the electrode structure and avoiding interface damage from irradiation and tedious sample preparation. HIM demonstrated its....... In the hot-pressed electrodes, we found more closed contact between the electrode components, reduced particle size, polymer coalescence and formation of nano-sized polymer fiber architecture between the particles. Keywords: proton exchange membrane fuel cells (PEMFCs); Helium Ion Microscopy (HIM...

Effect of in-medium nucleon-nucleon cross section on proton-proton momentum correlation in intermediate-energy heavy-ion collisions

Science.gov (United States)

Wang, Ting-Ting; Ma, Yu-Gang; Zhang, Chun-Jian; Zhang, Zheng-Qiao

2018-03-01

The proton-proton momentum correlation function from different rapidity regions is systematically investigated for the Au + Au collisions at different impact parameters and different energies from 400 A MeV to 1500 A MeV in the framework of the isospin-dependent quantum molecular dynamics model complemented by the Lednický-Lyuboshitz analytical method. In particular, the in-medium nucleon-nucleon cross-section dependence of the correlation function is brought into focus, while the impact parameter and energy dependence of the momentum correlation function are also explored. The sizes of the emission source are extracted by fitting the momentum correlation functions using the Gaussian source method. We find that the in-medium nucleon-nucleon cross section obviously influences the proton-proton momentum correlation function, which is from the whole-rapidity or projectile or target rapidity region at smaller impact parameters, but there is no effect on the mid-rapidity proton-proton momentum correlation function, which indicates that the emission mechanism differs between projectile or target rapidity and mid-rapidity protons.

Theoretical ion implantation profiles for low energy protons under channeling conditions

International Nuclear Information System (INIS)

Nobel, J.A.; Sabin, J.R.; Trickey, S.B.

1994-01-01

The authors present early results from the CHANNEL code, which simulates the passage of ionized projectiles through bulk solids. CHANNEL solves the classical equations of motion for the projectile using a force obtained from the gradient of the quantum mechanically derived coulombic potential of the solid (determined via a full potential augmented plane wave (FLAPW) calculation on the bulk) and a quantum mechanical energy dissipation term, the stopping power, as determined from the method of Echenique, Neiminen, and Ritchie. The code then generates the trajectory of the ionic projectile for a given incident position on the unit cell face and an initial velocity. The authors use CHANNEL to generate an ion (proton) implantation profile for the test case of simple cubic hydrogen with the projectile's initial velocity parallel to the (100) channel. Further preliminary results for ion implantation profiles of protons in diamond structure Si, with initial velocity along the (100) and (110) channels, are given

Adiabatic Cooling for Rovibrational Spectroscopy of Molecular Ions

DEFF Research Database (Denmark)

Fisher, Karin

2017-01-01

The field of cold molecular ions is a fast growing one, with applications in high resolution spectroscopy and metrology, the search for time variations of fundamental constants, cold chemistry and collisions, and quantum information processing, to name a few. The study of single molecular ions...... is attractive as it enables one to push the limits of spectroscopic accuracy. Non-destructive spectroscopic detection of molecular ions can be achieved by co-trapping with an easier to detect atomic ion. The ion chain has coupled motion, and transitions which change both the internal and motional states...... to the measured heating rates, almost perfectly fitting existing heating rate theory. Further, the same model successfully predicted the heating rates of the in-phase mode of a two-ion crystal, indicating that we can use it to predict the heating rates in experiments on molecule-atom chains. Adiabatic cooling...

A Monte Carlo track structure code for low energy protons

CERN Document Server

Endo, S; Nikjoo, H; Uehara, S; Hoshi, M; Ishikawa, M; Shizuma, K

2002-01-01

A code is described for simulation of protons (100 eV to 10 MeV) track structure in water vapor. The code simulates molecular interaction by interaction for the transport of primary ions and secondary electrons in the form of ionizations and excitations. When a low velocity ion collides with the atoms or molecules of a target, the ion may also capture or lose electrons. The probabilities for these processes are described by the quantity cross-section. Although proton track simulation at energies above Bragg peak (>0.3 MeV) has been achieved to a high degree of precision, simulations at energies near or below the Bragg peak have only been attempted recently because of the lack of relevant cross-section data. As the hydrogen atom has a different ionization cross-section from that of a proton, charge exchange processes need to be considered in order to calculate stopping power for low energy protons. In this paper, we have used state-of-the-art Monte Carlo track simulation techniques, in conjunction with the pub...

Proton resonance of molecular solids: hexamethylbenzene, paradichlorobenzene

International Nuclear Information System (INIS)

Chezeau, Jean-Michel

1966-01-01

This research thesis addresses the study of the proton resonance of some molecular crystals such as hexamethylbenzene and paradichlorobenzene. In order to better understand the different occurring phenomena, the author studied movements and phase changes of such bodies within the frame of a classification of solid state transformations, such as the one proposed by McCullough. Indeed, if molecular movements seem to be present through the specific heat curve, there is no coincidence of temperatures for which accidents appear on the specific heat curve and on the NMR line width curve. After an introduction to the NMR of solids, and a presentation of experimental apparatuses and methods, the author reports and discusses results obtained on both addressed compounds [fr

Molecular ions in comet tails

International Nuclear Information System (INIS)

Wyckoff, S.; Wehinger, P.A.

1976-01-01

Band intensities of the molecular ions CH + , CO + , N 2 + , and H 2 O + have been determined on an absolute scale from tail spectra of comet Kohoutek (1973f) and comet Bradfield (1974b). Photoionization and photodissociation rates have been computed for CH, CO, and N 2 . Also emission rate excitation g-factors for (1) photoionization plus excitation and (2) resonance fluorescence have been computed for the observed ions. It is shown that resonance fluorescence is the dominant excitation mechanism for observed comet tail ions at rapprox. =1 AU. Band system luminosities and molecular ion abundances within a projected nuclear distance rho 4 km have been determined for CH + , CO + , N 2 + , and H 2 O + in comet Kohoutek, and for H 2 O + in comet Bradfield. Estimates are also given for column densities of all observed ions at rhoapprox. =10 4 km on the tailward side of the coma. The observed H 2 O + column densities were found to be roughly the same in comet Kohoutek and comet Bradfield et equal heliocentric distances, while CO + was found to be approximately 100 times more abundant than H 2 O + , N 2 + , and CH + at rhoapprox. =10 4 km in comet Kohoutek. Finally, the relative abundances of the observed ions and of the presumed parent neutral species are briefly discussed

Protons and heavy ions induced stuck bits on large capacity RAMs

Energy Technology Data Exchange (ETDEWEB)

Duzellier, S; Falguere, D; Ecoffet, R [Centre National d` Etudes Spatiales (CNES), 31 - Toulouse (France)

1994-12-31

A semi-permanent imprint effect has been observed, on large capacity memories (static and dynamic), during heavy ion and proton irradiations. The experimental circumstances of stuck bits occurrence are described and the influence of irradiation conditions discussed. A total dose testing complete the investigation. (author). 10 refs., 5 figs., 3 tabs.

Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range

International Nuclear Information System (INIS)

Vidovic, Z.

1997-06-01

This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H 0 , H 2 + and H 3 + projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H 2 + and H 3 + polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

Atomic and molecular physics with ion storage rings

International Nuclear Information System (INIS)

Larsson, M.

1995-01-01

Advances in ion-source, accelerator and beam-cooling technology have made it possible to produce high-quality beams of atomic ions in arbitrary charged states as well as molecular and cluster ions are internally cold. Ion beams of low emittance and narrow momentum spread are obtained in a new generation of ion storage-cooler rings dedicated to atomic and molecular physics. The long storage times (∼ 5 s ≤ τ ≤ days) allow the study of very slow processes occurring in charged (positive and negative) atoms, molecules and clusters. Interactions of ions with electrons and/or photons can be studied by merging the stored ion beam with electron and laser beams. The physics of storage rings spans particles having a charge-to-mass ratio ranging from 60 + and C 70 + ) to 0.4 - 1.0 (H + , D + , He 2+ , ..., U 92+ ) and collision processes ranging from <1 meV to ∼ 70 GeV. It incorporates, in addition to atomic and molecular physics, tests of fundamental physics theories and atomic physics bordering on nuclear and chemical physics. This exciting development concerning ion storage rings has taken place within the last five to six years. (author)

Simulation and dosimetric analysis of protons, 4He ions and 12C ions beams for brain neoplasm therapy

International Nuclear Information System (INIS)

Santos, Guilherme M.; Mello, Victor Barreto Braga; Mello Neto, Joao R.T. de

2016-01-01

This study aims to simulate protons, 4 He ions and 12 C ions beams, radiating the head of an average-sized man with the purpose of treating a hypothalamic tumor. GEANT4 was used to simulate the head (skin, skull and brain), and the beam, giving their characteristics and also the physical processes involved. The results sought herein are graphs of depth for relative dose for each of the three particles incident on the settings mentioned above. (author)

Theoretical Molecular Biophysics

CERN Document Server

Scherer, Philipp

2010-01-01

"Theoretical Molecular Biophysics" is an advanced study book for students, shortly before or after completing undergraduate studies, in physics, chemistry or biology. It provides the tools for an understanding of elementary processes in biology, such as photosynthesis on a molecular level. A basic knowledge in mechanics, electrostatics, quantum theory and statistical physics is desirable. The reader will be exposed to basic concepts in modern biophysics such as entropic forces, phase separation, potentials of mean force, proton and electron transfer, heterogeneous reactions coherent and incoherent energy transfer as well as molecular motors. Basic concepts such as phase transitions of biopolymers, electrostatics, protonation equilibria, ion transport, radiationless transitions as well as energy- and electron transfer are discussed within the frame of simple models.

TECHNOLOGIES FOR DELIVERY OF PROTON AND ION BEAMS FOR RADIOTHERAPY

CERN Document Server

Owen, H; Alonso, J; Mackay, R

2014-01-01

Recent developments for the delivery of proton and ion beam therapy have been significant, and a number of technological solutions now exist for the creation and utilisation of these particles for the treatment of cancer. In this paper we review the historical development of particle accelerators used for external beam radiotherapy and discuss the more recent progress towards more capable and cost-effective sources of particles.

Physico-chemical modification of polyethersulphone induced by high energy proton, C+ and Ne6+ ions

International Nuclear Information System (INIS)

Vinodh Kumar, S.; Biswavarathi, V.; Jal, P.; Dey, K.; Krishna, J.B.M.; Saha, A.

2004-01-01

Polyehersulphone (PES) was irradiated with 4 MeV proton, 3.6 MeV C + and 145 MeV Ne 6+ ions at different ion fluences. The ion induced spectral changes were analyzed by UV-visible and fluorescence spectroscopy. The increase in optical absorption, which shifts gradually from near UV to the visible region with increase in fluence for the three different types of bombarding ions was observed. A significant loss in fluorescence intensity with increase in fluence for three different ions was observed. (author)

Observations of defect structure evolution in proton and Ni ion irradiated Ni-Cr binary alloys

Energy Technology Data Exchange (ETDEWEB)

Briggs, Samuel A., E-mail: sabriggs2@wisc.edu [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); Barr, Christopher M. [Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104 (United States); Pakarinen, Janne [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); SKC-CEN Belgian Nuclear Research Centre, Boeretang 200, B-2400 Mol (Belgium); Mamivand, Mahmood [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); Hattar, Khalid [Sandia National Laboratories, PO Box 5800, Albuquerque, NM 87185 (United States); Morgan, Dane D. [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States); Taheri, Mitra [Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104 (United States); Sridharan, Kumar [University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706 (United States)

2016-10-15

Two binary Ni-Cr model alloys with 5 wt% Cr and 18 wt% Cr were irradiated using 2 MeV protons at 400 and 500 °C and 20 MeV Ni{sup 4+} ions at 500 °C to investigate microstructural evolution as a function of composition, irradiation temperature, and irradiating ion species. Transmission electron microscopy (TEM) was applied to study irradiation-induced void and faulted Frank loops microstructures. Irradiations at 500 °C were shown to generate decreased densities of larger defects, likely due to increased barriers to defect nucleation as compared to 400 °C irradiations. Heavy ion irradiation resulted in a larger density of smaller voids when compared to proton irradiations, indicating in-cascade clustering of point defects. Cluster dynamics simulations were in good agreement with the experimental findings, suggesting that increases in Cr content lead to an increase in interstitial binding energy, leading to higher densities of smaller dislocation loops in the Ni-18Cr alloy as compared to the Ni-5Cr alloy. - Highlights: • Binary Ni-Cr alloys were irradiated with protons or Ni ions at 400 and 500 °C. • Higher irradiation temperatures yield increased size, decreased density of defects. • Hypothesize that varying Cr content affects interstitial binding energy. • Fitting CD models for loop nucleation to data supports this hypothesis.

An ion cooling and state characterization apparatus for studies of molecular ion dissociative interactions

International Nuclear Information System (INIS)

Deng, Shihu; Vane, C R; Bannister, M E; Havener, C C; Meyer, F W; Krause, H F; Hettich, R L; Goeringer, D E; Van Berkel, G J

2009-01-01

An experimental capability is being developed at the Oak Ridge National Laboratory Multi-Charged Ion Research Facility (ORNL MIRF) to enable stored cooling and state characterization of molecular ions of essentially any mass. Ions selected from a variety of available sources are injected from the side into a 1.5 meter long electrostatic mirror trap, where excited internal states are cooled by radiative cooling. An electron beam target located near the middle of the ion-trap region, coupled with neutral fragment imaging detector systems at each end of the trap, permits state-specific studies of electron-molecular ion dissociation.

Acceleration of polarized protons and deuterons in the ion collider ring of JLEIC

Science.gov (United States)

Kondratenko, A. M.; Kondratenko, M. A.; Filatov, Yu N.; Derbenev, Ya S.; Lin, F.; Morozov, V. S.; Zhang, Y.

2017-07-01

The figure-8-shaped ion collider ring of Jefferson Lab Electron-Ion Collider (JLEIC) is transparent to the spin. It allows one to preserve proton and deuteron polarizations using weak stabilizing solenoids when accelerating the beam up to 100 GeV/c. When the stabilizing solenoids are introduced into the collider’s lattice, the particle spins precess about a spin field, which consists of the field induced by the stabilizing solenoids and the zero-integer spin resonance strength. During acceleration of the beam, the induced spin field is maintained constant while the resonance strength experiences significant changes in the regions of “interference peaks”. The beam polarization depends on the field ramp rate of the arc magnets. Its component along the spin field is preserved if acceleration is adiabatic. We present the results of our theoretical analysis and numerical modeling of the spin dynamics during acceleration of protons and deuterons in the JLEIC ion collider ring. We demonstrate high stability of the deuteron polarization in figure-8 accelerators. We analyze a change in the beam polarization when crossing the transition energy.

Advanced low-beta cavity development for proton and ion accelerators

Energy Technology Data Exchange (ETDEWEB)

Conway, Z.A., E-mail: zconway@anl.gov; Kelly, M.P.; Ostroumov, P.N.

2015-05-01

Recent developments in designing and processing low-beta superconducting cavities at Argonne National Laboratory are very encouraging for future applications requiring compact proton and ion accelerators. One of the major benefits of these accelerating structures is achieving real-estate accelerating gradients greater than 3 MV/m very efficiently either continuously or for long-duty cycle operation (>1%). The technology has been implemented in low-beta accelerator cryomodules for the Argonne ATLAS heavy-ion linac where the cryomodules are required to have real-estate gradients of more than 3 MV/m. In offline testing low-beta cavities with even higher gradients have already been achieved. This paper will review this work where we have achieved surface fields greater than 166 mT magnetic and 117 MV/m electric in a 72 MHz quarter-wave resonator optimized for β = 0.077 ions.

Advanced low-beta cavity development for proton and ion accelerators

Energy Technology Data Exchange (ETDEWEB)

Conway, Z. A.; Kelly, M. P.; Ostroumov, P. N.

2015-05-01

Recent developments in designing and processing low-beta superconducting cavities at Argonne National Laboratory are very encouraging for future applications requiring compact proton and ion accelerators. One of the major benefits of these accelerating structures is achieving real-estate accelerating gradients greater than 3 MV/m very efficiently either continuously or for long-duty cycle operation (>1%). The technology has been implemented in low-beta accelerator cryomodules for the Argonne ATLAS heavy-ion linac where the cryomodules are required to have real-estate gradients of more than 3 MV/m. In offline testing low-beta cavities with even higher gradients have already been achieved. This paper will review this work where we have achieved surface fields greater than 166 mT magnetic and 117 MV/m electric in a 72 MHz quarter-wave resonator optimized for beta = 0.077 ions.

Advanced low-beta cavity development for proton and ion accelerators

International Nuclear Information System (INIS)

Conway, Z.A.; Kelly, M.P.; Ostroumov, P.N.

2015-01-01

Recent developments in designing and processing low-beta superconducting cavities at Argonne National Laboratory are very encouraging for future applications requiring compact proton and ion accelerators. One of the major benefits of these accelerating structures is achieving real-estate accelerating gradients greater than 3 MV/m very efficiently either continuously or for long-duty cycle operation (>1%). The technology has been implemented in low-beta accelerator cryomodules for the Argonne ATLAS heavy-ion linac where the cryomodules are required to have real-estate gradients of more than 3 MV/m. In offline testing low-beta cavities with even higher gradients have already been achieved. This paper will review this work where we have achieved surface fields greater than 166 mT magnetic and 117 MV/m electric in a 72 MHz quarter-wave resonator optimized for β = 0.077 ions

Comparison of single-ion molecular dynamics in common solvents

Science.gov (United States)

Muralidharan, A.; Pratt, L. R.; Chaudhari, M. I.; Rempe, S. B.

2018-06-01

Laying a basis for molecularly specific theory for the mobilities of ions in solutions of practical interest, we report a broad survey of velocity autocorrelation functions (VACFs) of Li+ and PF6- ions in water, ethylene carbonate, propylene carbonate, and acetonitrile solutions. We extract the memory function, γ(t), which characterizes the random forces governing the mobilities of ions. We provide comparisons controlling for the effects of electrolyte concentration and ion-pairing, van der Waals attractive interactions, and solvent molecular characteristics. For the heavier ion (PF6-), velocity relaxations are all similar: negative tail relaxations for the VACF and a clear second relaxation for γ (t ), observed previously also for other molecular ions and with n-pentanol as the solvent. For the light Li+ ion, short time-scale oscillatory behavior masks simple, longer time-scale relaxation of γ (t ). But the corresponding analysis of the solventberg Li+(H2O)4 does conform to the standard picture set by all the PF6- results.

Semi-classical approaches for the proton emission in intermediate energy heavy ion reactions

International Nuclear Information System (INIS)

Gregoire, C.; Scheuter, F.; Remaud, B.; Sebille, F.

1984-05-01

Semi-classical approaches are proposed to study the transition between the one- and two-body processes in intermediate energy heavy ion collisions. The Landau-Vlasov equation is used as a transport equation for nucleons in the nuclear matter. We apply our formalism to the fast proton ejection. On the one hand, the effects of the nucleon-nucleon collisions are studied for the particles which travel through the nucleus cores. On the other hand, the inertial emission turns out to be an important proton emission mechanism. Our results conflict the interpretation of the proton spectra in terms of moving sources. Reasonable agreements with the experimental data are found without reference to any thermal equilibrium

A proton-recoil neutron spectrometer for time-dependent ion temperatures on the National Ignition Facility

International Nuclear Information System (INIS)

Murphy, T.J.

1995-01-01

Ion temperatures from inertial confinement fusion targets are usually determined by measuring the Doppler broadening of the neutron spectrum using the time-of-flight method. Measurement systems are generally designed so that the contribution of the duration of neutron production (∼100 ps) to the width of the neutron signal is negligible. This precludes the possibility of time-dependent ion temperature. If, however, one could measure the neutron energy and arrival time at a detector independently, then time-dependent neutron spectra could be obtained, and ion temperature information deduced. A concept utilizing a proton-recoil neutron spectrometer has been developed in which recoil protons from a small plastic foil are measured. From the energy, arrival time, and recoil angle of the recoil proton, the birth time and energy of the incident neutron can be deduced. The sensitivity of the system is low, but the higher anticipated neutron yields from the proposed National Ignition Facility may make the technique feasible. Large scintillator arrays currently in use on the Nova facility for neutron spectral measurements consist of ∼1,000 channels and detect between 50 and 500 counts for typical time-integrated data. Time-dependent results would then require about an order of magnitude larger system. Key issues for making this system feasible will be keeping the cost per channel low while allowing adequately time (∼ 50 ps), energy (20 keV), and angular resolution (2 mrad) for each of the proton detectors

Mean excitation energies for molecular ions

Energy Technology Data Exchange (ETDEWEB)

Jensen, Phillip W.K.; Sauer, Stephan P.A. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Oddershede, Jens [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States); Sabin, John R., E-mail: sabin@qtp.ufl.edu [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States)

2017-03-01

The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

An analysis of hydrated proton diffusion in ab initio molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Tse, Ying-Lung Steve; Voth, Gregory A., E-mail: gavoth@uchicago.edu [Department of Chemistry, James Franck Institute, and Computation Institute, University of Chicago, Chicago, Illinois 60637 (United States); Knight, Chris [Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2015-01-07

A detailed understanding of the inherently multiscale proton transport process raises a number of scientifically challenging questions. For example, there remain many (partially addressed) questions on the molecular mechanism for long-range proton migration and the potential for the formation of long-lived traps giving rise to burst-and-rest proton dynamics. Using results from a sizeable collection of ab initio molecular dynamics (AIMD) simulations (totaling ∼2.7 ns) with various density functional approximations (Becke-Lee-Yang-Parr (BLYP), BLYP–D3, Hamprecht-Cohen-Tozer-Handy, B3LYP) and temperatures (300–330 K), equilibrium and dynamical properties of one excess proton and 128 water molecules are studied. Two features in particular (concerted hops and weak hydrogen-bond donors) are investigated to identify modes in the system that are strongly correlated with the onset of periods of burst-and-rest dynamics. The question of concerted hops seeks to identify those time scales over which long-range proton transport can be classified as a series of sequential water hopping events or as a near-simultaneous concerted process along compressed water wires. The coupling of the observed burst-and-rest dynamics with motions of a fourth neighboring water molecule (a weak hydrogen-bond donor) solvating the protonated water molecule is also investigated. The presence (absence) of hydrogen bonds involving this fourth water molecule before and after successful proton hopping events is found to be strongly correlated with periods of burst (rest) dynamics (and consistent with pre-solvation concepts). By analyzing several realizations of the AIMD trajectories on the 100-ps time scale, convergence of statistics can be assessed. For instance, it was observed that the probability for a fourth water molecule to approach the hydronium, if not already proximal at the beginning of the lifetime of the hydronium, is very low, indicative of the formation of stable void regions

Use of Proton SEE Data as a Proxy for Bounding Heavy-Ion SEE Susceptibility

Science.gov (United States)

Ladbury, Raymond L.; Lauenstein, Jean-Marie; Hayes, Kathryn P.

2015-01-01

Although heavy-ion single-event effects (SEE) pose serious threats to semiconductor devices in space, many missions face difficulties testing such devices at heavy-ion accelerators. Low-cost missions often find such testing too costly. Even well funded missions face issues testing commercial off the shelf (COTS) due to packaging and integration. Some missions wish to fly COTS systems with little insight into their components. Heavy-ion testing such parts and systems requires access to expensive and hard-to-access ultra-high energy ion accelerators, or significant system modification. To avoid these problems, some have proposed using recoil ions from high-energy protons as a proxy to bound heavy-ion SEE rates.

Molecular hydrogen messengers can lead to structural infidelity: A cautionary tale of protonated glycine

Energy Technology Data Exchange (ETDEWEB)

Masson, Antoine, E-mail: amasson@lbl.gov; Rizzo, Thomas R., E-mail: erw@berkeley.edu, E-mail: thomas.rizzo@epfl.ch [Laboratoire de Chimie Physique Moléculaire, École Polytechnique Fédérale de Lausanne, EPFL SB ISIC LCPM, Station 6, CH-1015 Lausanne (Switzerland); Williams, Evan R., E-mail: erw@berkeley.edu, E-mail: thomas.rizzo@epfl.ch [Department of Chemistry, University of California, Berkeley, California 94720-1460 (United States)

2015-09-14

The effects of tagging protonated glycine with either He or between 1 and 14 H{sub 2} molecules on the infrared photodissociation spectra and the ion structure were investigated. Differences in the IR spectra with either a single He atom or H{sub 2} molecule attached indicate that even a single H{sub 2} molecule can affect the frequencies of some vibrational bands of this simple ion. The protonation site is the preferred location of the tag with He and with up to two H{sub 2} molecules, but evidence for H{sub 2} attachment to the hydrogen atom of the uncharged carboxylic acid is observed for ions tagged with three or more H{sub 2} molecules. This results in a 55 cm{sup −1} red shift in the carboxylic acid OH stretch, and evidence for some structural isomers where the hydrogen bond between the protonated nitrogen and the carbonyl oxygen is partially broken; as a result H{sub 2} molecules attached to this site are observed. These results are supported by theory, which indicates that H{sub 2} molecules can effectively break this weak hydrogen bond with three or more H{sub 2} molecules. These results indicate that large spectral shifts as a result of H{sub 2} molecules attaching to sites remote from the charge can occur and affect stretching frequencies as a result of charge transfer, and that tagging with multiple H{sub 2} molecules can change the structure of the ion itself.

Acetonitrile Chemical Ionization Ion Trap Mass Spectrometry of Chemical Warfare Agents and Their Degradation Products

National Research Council Canada - National Science Library

Rohrbaugh, Dennis

1998-01-01

.... The protonated molecular ion was observed as the dominant ion and base peak for HD, VX, GA, 1,4-dithiane, 2-diisopropylaminoethanol, and the trimethylsilyl derivatives of methylphosphonic acid...

Understanding Molecular-Ion Neutral Atom Collisions for the Production of Ultracold Molecular Ions

Science.gov (United States)

2014-02-03

SECURITY CLASSIFICATION OF: This project was superseded and replaced by another ARO-funded project of the same name, which is still continuing. The goal...cooled atoms," IOTA -COST Workshop on molecular ions, Arosa, Switzerland. 5. E.R. Hudson, "Sympathetic cooling of molecules with laser cooled

Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA

Science.gov (United States)

Huang, Yandong; Chen, Wei; Dotson, David L.; Beckstein, Oliver; Shen, Jana

2016-10-01

Escherichia coli NhaA is a prototype sodium-proton antiporter, which has been extensively characterized by X-ray crystallography, biochemical and biophysical experiments. However, the identities of proton carriers and details of pH-regulated mechanism remain controversial. Here we report constant pH molecular dynamics data, which reveal that NhaA activation involves a net charge switch of a pH sensor at the entrance of the cytoplasmic funnel and opening of a hydrophobic gate at the end of the funnel. The latter is triggered by charging of Asp164, the first proton carrier. The second proton carrier Lys300 forms a salt bridge with Asp163 in the inactive state, and releases a proton when a sodium ion binds Asp163. These data reconcile current models and illustrate the power of state-of-the-art molecular dynamics simulations in providing atomic details of proton-coupled transport across membrane which is challenging to elucidate by experimental techniques.

SU-E-T-755: Timing Characteristics of Proton and Carbon Ion Treatments Using a Synchrotron and Modulated Scanning

International Nuclear Information System (INIS)

Zhao, J; Li, Y; Huang, Z; Deng, Y; Sun, L; Moyers, M; Hsi, W; Wu, X

2015-01-01

Purpose: The time required to deliver a treatment impacts not only the number of patients that can be treated each day but also the accuracy of delivery due to potential movements of patient tissues. Both macroscopic and microscopic timing characteristics of a beam delivery system were studied to examine their impacts on patient treatments. Methods: 35 patients were treated during a clinical trial to demonstrate safety and efficacy of a Siemens Iontris system prior to receiving approval from the Chinese Food and Drug Administration. The system has a variable cycle time and can provide proton beams from 48 to 221 MeV/n and carbon ions from 86 to 430 MeV/n. A modulated scanning beam delivery technique is used where the beam remains stationary at each spot aiming location and is not turned off while the spot quickly moves from one aiming location to the next. The treatment log files for 28 of the trial patients were analyzed to determine several timing characteristics. Results: The average portal time per target dose was 172.5 s/Gy for protons and 150.7 s/Gy for carbon ions. The maximum delivery time for any portal was less than 300 s. The average dwell time per spot was 12 ms for protons and 3.0 ms for carbon ions. The number of aiming positions per energy layer varied from 1 to 258 for protons and 1 to 621 for carbon ions. The average spill time and cycle time per energy layer were 1.20 and 2.68 s for protons and 0.95 and 4.73 s for carbon ions respectively. For 3 of the patients, the beam was gated on and off to reduce the effects of respiration. Conclusion: For a typical target volume of 153 cc as used in this clinical trial, the portal delivery times were acceptable

Protonated form: the potent form of potassium-competitive acid blockers.

Directory of Open Access Journals (Sweden)

Hua-Jun Luo

Full Text Available Potassium-competitive acid blockers (P-CABs are highly safe and active drugs targeting H+,K+-ATPase to cure acid-related gastric diseases. In this study, we for the first time investigate the interaction mechanism between the protonated form of P-CABs and human H+,K+-ATPase using homology modeling, molecular docking, molecular dynamics and binding free energy calculation methods. The results explain why P-CABs have higher activities with higher pKa values or at lower pH. With positive charge, the protonated forms of P-CABs have more competitive advantage to block potassium ion into luminal channel and to bind with H+,K+-ATPase via electrostatic interactions. The binding affinity of the protonated form is more favorable than that of the neutral P-CABs. In particular, Asp139 should be a very important binding site for the protonated form of P-CABs through hydrogen bonds and electrostatic interactions. These findings could promote the rational design of novel P-CABs.

Protonated form: the potent form of potassium-competitive acid blockers.

Science.gov (United States)

Luo, Hua-Jun; Deng, Wei-Qiao; Zou, Kun

2014-01-01

Potassium-competitive acid blockers (P-CABs) are highly safe and active drugs targeting H+,K+-ATPase to cure acid-related gastric diseases. In this study, we for the first time investigate the interaction mechanism between the protonated form of P-CABs and human H+,K+-ATPase using homology modeling, molecular docking, molecular dynamics and binding free energy calculation methods. The results explain why P-CABs have higher activities with higher pKa values or at lower pH. With positive charge, the protonated forms of P-CABs have more competitive advantage to block potassium ion into luminal channel and to bind with H+,K+-ATPase via electrostatic interactions. The binding affinity of the protonated form is more favorable than that of the neutral P-CABs. In particular, Asp139 should be a very important binding site for the protonated form of P-CABs through hydrogen bonds and electrostatic interactions. These findings could promote the rational design of novel P-CABs.

Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study.

Science.gov (United States)

Wilhelm, Florian; Schmickler, Wolfgang; Spohr, Eckhard

2010-05-05

A recently developed empirical valence bond (EVB) model for proton transfer on Pt(111) electrodes (Wilhelm et al 2008 J. Phys. Chem. C 112 10814) has been applied in molecular dynamics (MD) simulations of a water film in contact with a charged Pt surface. A total of seven negative surface charge densities σ between -7.5 and -18.9 µC cm(-2) were investigated. For each value of σ, between 30 and 84 initial conditions of a solvated proton within a water slab were sampled, and the trajectories were integrated until discharge of a proton occurred on the charged surfaces. We have calculated the mean rates for discharge and for adsorption of solvated protons within the adsorbed water layer in contact with the metal electrode as a function of surface charge density. For the less negative values of σ we observe a Tafel-like exponential increase of discharge rate with decreasing σ. At the more negative values this exponential increase levels off and the discharge process is apparently transport limited. Mechanistically, the Tafel regime corresponds to a stepwise proton transfer: first, a proton is transferred from the bulk into the contact water layer, which is followed by transfer of a proton to the charged surface and concomitant discharge. At the more negative surface charge densities the proton transfer into the contact water layer and the transfer of another proton to the surface and its discharge occur almost simultaneously.

Measurement of L X-ray intensity ratios in tantalum by proton and Si-ion impact

International Nuclear Information System (INIS)

Braich, J.S.; Dhal, B.B.; Singh, B.P.; Padhi, H.C.; Khurana, C.S.; Verma, H.R.

1996-01-01

The Lι, Lβ 1,4,6 , Lβ 2,15,3 , Lγ 1 , Lγ 2,3,6 and Lγ 4,4' , X-ray intensities relative to the Lα, caused by the impact of protons of energy 1 to 4.6 MeV and Si-ions of 70 to 98 MeV on Ta targets, h ave been measured. The results show that the intensity ratios drop significantly for all transitions except Lγ 2,3,6 /Lα with Si-ions of the same energy/amu as compared to those of protons. The experimental results have been compared with those based on the ECPSSR theoretical values. From the energy shift and change in the intensity ratios of various transitions caused by Si-ion impact, the number of outer shell vacancies in the M, N and O-shells simultaneous to that of L-shell have been estimat ed. (orig.)

Unusual features of proton and α-spectra from low-energy heavy-ion ...

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics; Volume 75; Issue 1. Unusual features ... Keywords. Proton and α-spectra; heavy-ion reaction; broad structures; nuclear level density. ... The broad structures in the -spectra cannot be fully explained within the statistical model even with the enhanced level density. In this case ...

Proton and hydrogen formation by cyclohexyl benzene during overcharge of Li-ion batteries

Science.gov (United States)

Lee, Hochun; Kim, Soojin; Jeon, Jongho; Cho, Jeong-Ju

This study provides experimental evidence for proton and hydrogen formation caused by the anodic electropolymerization of cyclohexyl benzene (CHB), which is a popular electrolyte additive for overcharge protection of lithium-ion batteries (LIBs). It is found that considerable H 2 evolution is observed in overcharged LiCoO 2/graphite cells, especially when CHB is included as an electrolyte additive. In order to confirm the proton generation during the CHB oxidation, Pt/Pt-rotating ring disc electrode (RRDE) measurements are performed in 1 M Li(C 2F 5SO 2) 2N ethylene carbonate/ethyl methyl carbonate (1/2, v/v) solutions with and without CHB. The cathodic ring current is intimately correlated to the anodic disc current, and the cathodic reaction at the ring is determined to be the reduction of the proton. The proton generation efficiency during the CHB oxidation is as high as 90%. Proton liberation is also observed during the anodic decomposition of the electrolyte solvents, although it occurs in a much less stoichiometric way compared with that during the CHB oxidation.

Predicting proton titration in cationic micelle and bilayer environments

Science.gov (United States)

Morrow, Brian H.; Eike, David M.; Murch, Bruce P.; Koenig, Peter H.; Shen, Jana K.

2014-08-01

Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pKa's in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pKa of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pKa of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

Predicting proton titration in cationic micelle and bilayer environments

Energy Technology Data Exchange (ETDEWEB)

Morrow, Brian H.; Shen, Jana K. [Department of Pharmaceutical Sciences, University of Maryland, Baltimore, Maryland 21201 (United States); Eike, David M.; Murch, Bruce P.; Koenig, Peter H. [Computational Chemistry, Modeling and Simulation GCO, Procter and Gamble, Cincinnati, Ohio 45201 (United States)

2014-08-28

Knowledge of the protonation behavior of pH-sensitive molecules in micelles and bilayers has significant implications in consumer product development and biomedical applications. However, the calculation of pK{sub a}’s in such environments proves challenging using traditional structure-based calculations. Here we apply all-atom constant pH molecular dynamics with explicit ions and titratable water to calculate the pK{sub a} of a fatty acid molecule in a micelle of dodecyl trimethylammonium chloride and liquid as well as gel-phase bilayers of diethyl ester dimethylammonium chloride. Interestingly, the pK{sub a} of the fatty acid in the gel bilayer is 5.4, 0.4 units lower than that in the analogous liquid bilayer or micelle, despite the fact that the protonated carboxylic group is significantly more desolvated in the gel bilayer. This work illustrates the capability of all-atom constant pH molecular dynamics in capturing the delicate balance in the free energies of desolvation and Coulombic interactions. It also shows the importance of the explicit treatment of ions in sampling the protonation states. The ability to model dynamics of pH-responsive substrates in a bilayer environment is useful for improving fabric care products as well as our understanding of the side effects of anti-inflammatory drugs.

Systematic analysis of neutron yields from thick targets bombarded by heavy ions and protons with moving source model

Energy Technology Data Exchange (ETDEWEB)

Kato, Takashi; Kurosawa, Tadahiro; Nakamura, Takashi E-mail: nakamura@cyric.tohoku.ac.jp

2002-03-21

A simple phenomenological analysis using the moving source model has been performed on the neutron energy spectra produced by bombarding thick targets with high energy heavy ions which have been systematically measured at the Heavy-Ion Medical Accelerator (HIMAC) facility (located in Chiba, Japan) of the National Institute of Radiological Sciences (NIRS). For the bombardment of both heavy ions and protons in the energy region of 100-500 MeV per nucleon, the moving source model incorporating the knock-on process could be generally successful in reproducing the measured neutron spectra within a factor of two margin of accuracy. This phenomenological analytical equation is expressed having several parameters as functions of atomic number Z{sub p}, mass number A{sub p}, energy per nucleon E{sub p} for projectile, and atomic number Z{sub T}, mass number A{sub T} for target. By inputting these basic data for projectile and target into this equation we can easily estimate the secondary neutron energy spectra at an emission angle of 0-90 deg. for bombardment with heavy ions and protons in the aforementioned energy region. This method will be quite useful to estimate the neutron source term in the neutron shielding design of high energy proton and heavy ion accelerators.

Recent work with fast molecular-ion beams at Argonne National Laboratory

International Nuclear Information System (INIS)

Cooney, P.J.; Gemmell, D.S.; Groeneveld, K.O.; Kanter, E.P.; Pietsch, W.J.; Vager, Z.; Zabransky, B.J.

1979-01-01

Research in these areas during 1979 is summarized: (a) studies of molecular-ion dissociation in gaseous targets, (b) developing an understanding of the origins of central peaks and of the two phenomena of the transmission of fast molecular ions through thin foil targets and of the production of neutral fragments from collision-induced dissociation of fast molecular projectiles, (c) studies exploring the extent to which high-resolution measurements on dissociation fragments can be used to determine the stereochemical structures of the molecular ions in the incident beam, (d) extensive modifications to the beam-line and apparatus at the 4-MV Dynamitron so as to permit a wide variety of coincidence measurements on fragments from collision-induced molecular-ion dissociation

Proton-sensing transistor systems for detecting ion leakage from plasma membranes under chemical stimuli.

Science.gov (United States)

Imaizumi, Yuki; Goda, Tatsuro; Schaffhauser, Daniel F; Okada, Jun-Ichi; Matsumoto, Akira; Miyahara, Yuji

2017-03-01

The membrane integrity of live cells is routinely evaluated for cytotoxicity induced by chemical or physical stimuli. Recent progress in bioengineering means that high-quality toxicity validation is required. Here, we report a pH-sensitive transistor system developed for the continuous monitoring of ion leakage from cell membranes upon challenge by toxic compounds. Temporal changes in pH were generated with high reproducibility via periodic flushing of HepG2 cells on a gate insulator of a proton-sensitive field-effect transistor with isotonic buffer solutions with/without NH 4 Cl. The pH transients at the point of NH 4 Cl addition/withdrawal originated from the free permeation of NH 3 across the semi-permeable plasma membranes, and the proton sponge effect produced by the ammonia equilibrium. Irreversible attenuation of the pH transient was observed when the cells were subjected to a membrane-toxic reagent. Experiments and simulations proved that the decrease in the pH transient was proportional to the area of the ion-permeable pores on the damaged plasma membranes. The pH signal was correlated with the degree of hemolysis produced by the model reagents. The pH assay was sensitive to the formation of molecularly sized pores that were otherwise not measurable via detection of the leakage of hemoglobin, because the hydrodynamic radius of hemoglobin was greater than 3.1nm in the hemolysis assay. The pH transient was not disturbed by inherent ion-transporter activity. The ISFET assay was applied to a wide variety of cell types. The system presented here is fast, sensitive, practical and scalable, and will be useful for validating cytotoxins and nanomaterials. The plasma membrane toxicity and hemolysis are widely and routinely evaluated in biomaterials science and biomedical engineering. Despite the recent development of a variety of methods/materials for efficient gene/drug delivery systems to the cytosol, the methodologies for safety validation remain unchanged in

Anisotropic Proton and Oxygen Ion Conductivity in Epitaxial Ba₂In₂O₅ Thin Films

DEFF Research Database (Denmark)

Fluri, Aline; Gilardi, Elisa; Karlsson, Maths

2017-01-01

Solid oxide oxygen ion and proton conductors are a highly important class of materials for renewable energy conversion devices like solid oxide fuel cells. Ba2In2O5 (BIO) exhibits both oxygen ion and proton conduction, in a dry and humid environment, respectively. In a dry environment...

Amorphous molecular junctions produced by ion irradiation on carbon nanotubes

International Nuclear Information System (INIS)

Wang Zhenxia; Yu Liping; Zhang Wei; Ding Yinfeng; Li Yulan; Han Jiaguang; Zhu Zhiyuan; Xu Hongjie; He Guowei; Chen Yi; Hu Gang

2004-01-01

Experiments and molecular dynamics have demonstrated that electron irradiation could create molecular junctions between crossed single-wall carbon nanotubes. Recently molecular dynamics computation predicted that ion irradiation could also join single-walled carbon nanotubes. Employing carbon ion irradiation on multi-walled carbon nanotubes, we find that these nanotubes evolve into amorphous carbon nanowires, more importantly, during the process of which various molecular junctions of amorphous nanowires are formed by welding from crossed carbon nanotubes. It demonstrates that ion-beam irradiation could be an effective way not only for the welding of nanotubes but also for the formation of nanowire junctions

Minibeam Therapy With Protons and Light Ions: Physical Feasibility and Potential to Reduce Radiation Side Effects and to Facilitate Hypofractionation

Energy Technology Data Exchange (ETDEWEB)

Dilmanian, F. Avraham, E-mail: avraham.dilmanian@stonybrook.edu [Departments of Radiation Oncology, Neurology, and Radiology, Stony Brook University Medical Center, Stony Brook, New York (United States); Eley, John G. [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Krishnan, Sunil [Department of Radiation Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States)

2015-06-01

Purpose: Despite several advantages of proton therapy over megavoltage x-ray therapy, its lack of proximal tissue sparing is a concern. The method presented here adds proximal tissue sparing to protons and light ions by turning their uniform incident beams into arrays of parallel, small, or thin (0.3-mm) pencil or planar minibeams, which are known to spare tissues. As these minibeams penetrate the tissues, they gradually broaden and merge with each other to produce a solid beam. Methods and Materials: Broadening of 0.3-mm-diameter, 109-MeV proton pencil minibeams was measured using a stack of radiochromic films with plastic spacers. Monte Carlo simulations were used to evaluate the broadening in water of minibeams of protons and several light ions and the dose from neutron generated by collimator. Results: A central parameter was tissue depth, where the beam full width at half maximum (FWHM) reached 0.7 mm, beyond which tissue sparing decreases. This depth was 22 mm for 109-MeV protons in a film stack. It was also found by simulations in water to be 23.5 mm for 109 MeV proton pencil minibeams and 26 mm for 116 MeV proton planar minibeams. For light ions, all with 10 cm range in water, that depth increased with particle size; specifically it was 51 mm for Li-7 ions. The ∼2.7% photon equivalent neutron skin dose from the collimator was reduced 7-fold by introducing a gap between the collimator and the skin. Conclusions: Proton minibeams can be implemented at existing particle therapy centers. Because they spare the shallow tissues, they could augment the efficacy of proton therapy and light particle therapy, particularly in treating tumors that benefit from sparing of proximal tissues such as pediatric brain tumors. They should also allow hypofractionated treatment of all tumors by allowing the use of higher incident doses with less concern about proximal tissue damage.

Heavy-ion induced desorption yields of amorphous carbon films bombarded with 4.2 MeV/u lead ions

CERN Document Server

Mahner, E; Küchler, D; Scrivens, R; Costa Pinto, P; Yin Vallgren, C; Bender, M

2011-01-01

During the past decade, intense experimental studies on the heavy-ion induced molecular desorption were performed in several particle accelerator laboratories worldwide in order to understand and overcome large dynamic pressure rises caused by lost beam ions. Different target materials and various coatings were studied for desorption and mitigation techniques were applied to heavy-ion accelerators. For the upgrade of the CERN injector complex, a coating of the Super Proton Synchrotron (SPS) vacuum system with a thin film of amorphous carbon is under study to mitigate the electron cloud effect observed during SPS operation with the nominal proton beam for the Large Hadron Collider (LHC). Since the SPS is also part of the heavy-ion injector chain for LHC, dynamic vacuum studies of amorphous carbon films are important to determine their ion induced desorption yields. At the CERN Heavy Ion Accelerator (LINAC 3), carbon-coated accelerator-type stainless steel vacuum chambers were tested for desorption using 4.2 Me...

Geometric and electronic structures of molecular ions from high energy collisions

International Nuclear Information System (INIS)

Groeneveld, K.O.

1983-01-01

This chapter examines the characteristics of heavy ion collision and of beam foil spectroscopy. It discusses the kinematic consequences of the high energies and presents results from ''Coulomb explosion'' and structure determination of molecular ions. It demonstrates that studies of molecular ions with accelerators can provide electronic and geometric structure information of molecules or molecular ions and points out that the understanding of the microscopic processes at such high energies is incomplete and needs further experimental and theoretical efforts

SU-E-T-146: Reference Dosimetry for Protons and Light-Ion Beams Based on Graphite Calorimetry.

Science.gov (United States)

Rossomme, S; Palmans, H; Thomas, R; Lee, N; Bailey, M; Shipley, D; Al-Sulaiti, L; Cirrone, P; Romano, F; Kacperek, A; Bertrand, D; Vynckier, S

2012-06-01

The IAEA TRS-398 code of practice can be applied for the measurement of absorbed dose to water under reference conditions with an ionization chamber. For protons, the combined relative standard uncertainty on those measurements is less than 2% while for light-ion beams, it is considerably larger, i.e. 3.2%, mainly due to the higher uncertainty contributions for the water to air stopping power ration and the W air-value on the beam quality correction factors kQ,Q 0 . To decrease this uncertainty, a quantification of kQ,Q 0 is proposed using a primary standard level graphite calorimeter. This work includes numerical and experimental determinations of dose conversion factors to derive dose to water from graphite calorimetry. It also reports on the first experimental data obtained with the graphite calorimeter in proton, alpha and carbon ion beams. Firstly, the dose conversion has been calculated with by Geant4 Monte-Carlo simulations through the determination of the water to graphite stopping power ratio and the fluence correction factor. The latter factor was also derived by comparison of measured ionization curves in graphite and water. Secondly, kQ,Q 0 was obtained by comparison of the dose response of ionization chambers with that of the calorimeter. Stopping power ratios are found to vary by no more than 0.35% up to the Bragg peak, while fluence correction factors are shown to increase slightly above unity close to the Bragg peak. The comparison of the calorimeter with ionization chambers is currently under analysis. For the modulated proton beam, preliminary results on W air confirm the value recommended in TRS-398. Data in both the non-modulated proton and light-ion beams indicate higher values but further investigation of heat loss corrections is needed. The application of graphite calorimetry to proton, alpha and carbon ion beams has been demonstrated successfully. Other experimental campaigns will be held in 2012. This work is supported by the BioWin program

Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.

Science.gov (United States)

Goh, Garrett B; Hulbert, Benjamin S; Zhou, Huiqing; Brooks, Charles L

2014-07-01

pH is a ubiquitous regulator of biological activity, including protein-folding, protein-protein interactions, and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH-dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi-site λ-dynamics (CPHMD(MSλD)). In the CPHMD(MSλD) framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi-site λ-dynamics, and designed novel biasing potentials to ensure that the physical end-states are predominantly sampled. We show that explicit solvent CPHMD(MSλD) simulations model realistic pH-dependent properties of proteins such as the Hen-Egg White Lysozyme (HEWL), binding domain of 2-oxoglutarate dehydrogenase (BBL) and N-terminal domain of ribosomal protein L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMD(MSλD) framework for nucleic acids, accurate modeling of pH-dependent properties of both major class of biomolecules-proteins and nucleic acids is now possible. © 2013 Wiley Periodicals, Inc.

A coincidence-type ion-electron converter detector for low-energy protons

International Nuclear Information System (INIS)

Benka, O.; Weinzierl, P.; Dobrozemsky, R.; Stratowa, C.

1981-04-01

A coincidence type ion-electron converter detector has been developed and used - together with an electrostatic energy-analyser - for precision measurements of the energy distribution of recoil protons from free-neutron decay. The most important aspect of the development was, besides keeping the background below 0,2 counts/sec in the presence of a certain radiation background, to achieve a high and energy-independent counting probability for protons with energies between 100 and 1000 eV. With an acceleration voltage of about 25 kV and Al-foils (20 to 35 ug/cmsup2) as converter, we obtained counting efficiences of 70 to 85 percent. The design and performance of the detector system, employing six foils with different sensitive areas, are described and discussed in detail. (author)

Quantum logic for the control and manipulation of molecular ions using a frequency comb

International Nuclear Information System (INIS)

Ding, S; Matsukevich, D N

2012-01-01

We propose a scheme for the preparation, manipulation and detection of quantum states of single molecular ions. In this scheme, molecular and atomic ions are confined in radio-frequency Paul trap and share common modes of motion. A frequency comb laser field is used to drive stimulated Raman transitions that couple internal states of the molecular ion with the motion of ions. State transfer from the molecular ion to the atomic ion via the common mode of motion results in efficient state detection for the molecule. The coupling of molecular states to the motion and the subsequent sideband cooling of the ions provide a way to prepare the molecular ion in a well-defined state. (paper)

Study of heavy flavours from muons measured with the ALICE detector in proton-proton and heavy-ion collisions at the CERN-LHC

International Nuclear Information System (INIS)

Zhang, X.

2012-01-01

ALICE (A Large Ion Collider Experiment) is the experiment dedicated to the study of heavy-ion collisions at the LHC. ALICE also takes part in the LHC proton- proton program which is of great interest for testing perturbative QCD calculations at unprecedented low Bjorken-x values and for providing the necessary baseline for nucleus-nucleus and proton-nucleus collisions. ALICE will also collect, in the beginning of 2013, p-Pb/Pb-p collisions in order to investigate cold nuclear matter effects. ALICE measures quarkonia and open heavy flavours with (di)-electrons, (di)-muons and through the hadronic channels. This thesis work is devoted to the study of open heavy flavours in proton-proton and Pb-Pb collisions via single muons with the ALICE forward muon spectrometer. The document is organized as follows. The first chapter consists in a general introduction on heavy-ion collisions and QCD phase transitions. Chapter 2 summarizes the motivations for the study of open heavy flavours in nucleon-nucleon, nucleon-nucleus and nucleus-nucleus collisions. Chapter 3 gives an overview of the ALICE experiment with a detailed description of the forward muon spectrometer. Chapter 4 gives a short summary of the ALICE online and offline systems. Then the analysis framework (for data and simulations) and in particular the software developed for the study of open heavy flavours is detailed. Chapter 5 summarizes the performance of the ALICE muon spectrometer for the study of the production of open heavy flavours in pp collisions via single muons and dimuons. Chapters 6 to 9 are dedicated to data analysis. Chapter 6 deals with the analysis of first pp collisions at 900 GeV. The main aim was the understanding of the response of the apparatus. Chapter 7 presents the measurement of the production of heavy flavour decay muons in pp collisions at √(s) = 7 TeV. The analysis strategy is described: event and track selection, background subtraction (mainly the contribution of muons from primary

TU-G-BRB-05: Panel Discussion: Clinical Trials in Proton and Ion Therapy - Are We Ready?

International Nuclear Information System (INIS)

Schulte, R.

2015-01-01

Proton therapy, in particular, and ion therapy, just beginning, are becoming an increasing focus of attention in clinical radiation oncology and medical physics. Both modalities have been criticized of lacking convincing evidence from randomized trials proving their efficacy, justifying the higher costs involved in these therapies. This session will provide an overview of the current status of clinical trials in proton therapy, including recent developments in ion therapy. As alluded to in the introductory talk by Dr. Schulte, opinions are diverging widely as to the usefulness and need for clinical trials in particle therapy and the challenge of equipoise. The lectures will highlight some of the challenges that surround clinical trials in particle therapy. One, presented by Dr. Choy from UT Southwestern, is that new technology and even different types of particles such as helium and carbon ions are introduced into this environment, increasing the phase space of clinical variables. The other is the issue of medical physics quality assurance with physical phantoms, presented by Mrs. Taylor from IROC Houston, which is more challenging because 3D and 4D image guidance and active delivery techniques are in relatively early stages of development. The role of digital phantoms in developing clinical treatment planning protocols and as a QA tool will also be highlighted by Dr. Lee from NCI. The symposium will be rounded off by a panel discussion among the Symposium speakers, arguing pro or con the need and readiness for clinical trials in proton and ion therapy. Learning Objectives: To get an update on the current status of clinical trials allowing or mandating proton therapy. Learn about the status of planned clinical trials in the U.S. and worldwide involving ion therapy. Discuss the challenges in the design and QA of clinical trials in particle therapy. Learn about existing and future physical and computational anthropomorphic phantoms for charged particle clinical trial

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

Science.gov (United States)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute

Molecular Ions in Ion Upflows and their Effects on Hot Atomic Oxygen Production

Science.gov (United States)

Foss, V.; Yau, A. W.; Shizgal, B.

2017-12-01

We present new direct ion composition observations of molecular ions in auroral ion upflows from the CASSIOPE Enhanced Polar Outflow Probe (e-POP). These observed molecular ions are N2+, NO+, and possibly O2+, and are found to occur at all e-POP altitudes starting at about 400 km, during auroral substorms and the different phases of magnetic storms, sometimes with upflow velocities exceeding a few hundred meters per second and abundances of 5-10%. The dissociative recombination of both O2+ and NO+ was previously proposed as an important source of hot oxygen atoms in the topside thermosphere [Hickey et al., 1995]. We investigate the possible effect of the observed molecular ions on the production of hot oxygen atoms in the storm and substorm-time auroral thermosphere. We present numerical solutions of the Boltzmann equation for the steady-state oxygen energy distribution function, taking into account both the production of the hot atoms and their subsequent collisional relaxation. Our result suggests the formation of a hot oxygen population with a characteristic temperature on the order of 0.3 eV and constituting 1-5% of the oxygen density near the exobase. We discuss the implication of this result in the context of magnetosphere-ionosphere-thermosphere coupling.

Strong-field Photoionization of Sputtered Neutral Molecules for Molecular Depth Profiling

Science.gov (United States)

Willingham, D; Brenes, D. A.; Wucher, A

2009-01-01

Molecular depth profiles of an organic thin film of guanine vapor deposited onto a Ag substrate are obtained using a 40 keV C60 cluster ion beam in conjunction with time-of-flight secondary ion mass spectrometric (ToF-SIMS) detection. Strong-field, femtosecond photoionization of intact guanine molecules is used to probe the neutral component of the profile for direct comparison with the secondary ion component. The ability to simultaneously acquire secondary ions and photoionized neutral molecules reveals new fundamental information about the factors that influence the properties of the depth profile. Results show that there is an increased ionization probability for protonated molecular ions within the first 10 nm due to the generation of free protons within the sample. Moreover, there is a 50% increase in fragment ion signal relative to steady state values 25 nm before reaching the guanine/Ag interface as a result of interfacial chemical damage accumulation. An altered layer thickness of 20 nm is observed as a consequence of ion beam induced chemical mixing. In general, we show that the neutral component of a molecular depth profile using the strong-field photoionization technique can be used to elucidate the effects of variations in ionization probability on the yield of molecular ions as well as to aid in obtaining accurate information about depth dependent chemical composition that cannot be extracted from TOF-SIMS data alone. PMID:20495665

Glutamate Water Gates in the Ion Binding Pocket of Na(+) Bound Na(+), K(+)-ATPase

DEFF Research Database (Denmark)

Han, Minwoo; Kopec, Wojciech; Solov'yov, Ilia A

2017-01-01

III is always protonated. Glutamic acid residues in the three binding sites act as water gates, and their deprotonation triggers water entry to the binding sites. From DFT calculations of Na(+) binding energies, we conclude that three protons in the binding site are needed to effectively bind Na......The dynamically changing protonation states of the six acidic amino acid residues in the ion binding pocket of the Na(+), K(+) -ATPase (NKA) during the ion transport cycle are proposed to drive ion binding, release and possibly determine Na(+) or K(+) selectivity. We use molecular dynamics (MD......(+) from water and four are needed to release them in the next step. Protonation of Asp926 in site III will induce Na(+) release, and Glu327, Glu954 and Glu779 are all likely to be protonated in the Na(+) bound occluded conformation. Our data provides key insights into the role of protons in the Na...

Energy Dependence of Moments of Net-Proton Multiplicity Distributions at RHIC

Czech Academy of Sciences Publication Activity Database

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C.; Aparin, A. A.; Arkhipkin, D.; Barnovská, Zuzana; Bielčík, J.; Bielčíková, Jana; Chaloupka, P.; Hajková, O.; Pachr, M.; Rusňák, Jan; Šumbera, Michal; Tlustý, David; Vértési, Robert

2014-01-01

Roč. 112, č. 3 (2014), 032302 ISSN 0031-9007 R&D Projects: GA ČR GA13-20841S Institutional support: RVO:61389005 Keywords : STAR * heavy ion collisions * proton and antiproton production Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 7.512, year: 2014

Baseline measures for net-proton distributions in high energy heavy-ion collisions

International Nuclear Information System (INIS)

Netrakanti, P.K.; Mishra, D.K.; Mohanty, A.K.; Mohanty, B.

2014-01-01

The STAR experiment at the Relativistic Heavy-Ion Collider facility has reported results for the cumulants and their ratios from the net-proton distributions upto the fourth order cumulants at various collision energies. These measurements were carried to look for the signatures of the possible critical point (CP) in the phase diagram for a system undertaking strong interactions. The results show an intriguing dependence of the cumulant ratios C 3 /C 2 and C 4 /C 2 as a function of beam energy. The beam energy dependence appears to be non-monotonic in nature. However the experiment also reports that the energy dependence is observed to be consistent with expectation from an approach based on the independent production of proton and anti-protons in the collisions. In this paper we emphasize the need to have a proper baseline for appropriate interpretation of the cumulant measurements and argue that the comparison to independent production approach needs to be done with extreme caution

Development of the integrated control system for the microwave ion source of the PEFP 100-MeV proton accelerator

Science.gov (United States)

Song, Young-Gi; Seol, Kyung-Tae; Jang, Ji-Ho; Kwon, Hyeok-Jung; Cho, Yong-Sub

2012-07-01

The Proton Engineering Frontier Project (PEFP) 20-MeV proton linear accelerator is currently operating at the Korea Atomic Energy Research Institute (KAERI). The ion source of the 100-MeV proton linac needs at least a 100-hour operation time. To meet the goal, we have developed a microwave ion source that uses no filament. For the ion source, a remote control system has been developed by using experimental physics and the industrial control system (EPICS) software framework. The control system consists of a versa module europa (VME) and EPICS-based embedded applications running on a VxWorks real-time operating system. The main purpose of the control system is to control and monitor the operational variables of the components remotely and to protect operators from radiation exposure and the components from critical problems during beam extraction. We successfully performed the operation test of the control system to confirm the degree of safety during the hardware performance.

Conformational sensitivity of conjugated poly(ethylene oxide)-poly(amidoamine) molecules to cations adducted upon electrospray ionization – A mass spectrometry, ion mobility and molecular modeling study

Energy Technology Data Exchange (ETDEWEB)

Tintaru, Aura [Aix-Marseille Université – CNRS, UMR 7273, Institut de Chimie Radicalaire, Marseille (France); Chendo, Christophe [Aix-Marseille Université – CNRS, FR 1739, Fédération des Sciences Chimiques de Marseille, Spectropole, Marseille (France); Wang, Qi [Aix-Marseille Université – CNRS, UMR 6114, Centre Interdisciplinaire de Nanosciences de Marseille, Marseille (France); Viel, Stéphane [Aix-Marseille Université – CNRS, UMR 7273, Institut de Chimie Radicalaire, Marseille (France); Quéléver, Gilles; Peng, Ling [Aix-Marseille Université – CNRS, UMR 6114, Centre Interdisciplinaire de Nanosciences de Marseille, Marseille (France); Posocco, Paola [University of Trieste, Molecular Simulation Engineering (MOSE) Laboratory, Department of Engineering and Architecture (DEA), Trieste (Italy); National Interuniversity Consortium for Material Science and Technology (INSTM), Research Unit MOSE-DEA, University of Trieste, Trieste (Italy); Pricl, Sabrina, E-mail: sabrina.pricl@di3.units.it [University of Trieste, Molecular Simulation Engineering (MOSE) Laboratory, Department of Engineering and Architecture (DEA), Trieste (Italy); National Interuniversity Consortium for Material Science and Technology (INSTM), Research Unit MOSE-DEA, University of Trieste, Trieste (Italy); Charles, Laurence, E-mail: laurence.charles@univ-amu.fr [Aix-Marseille Université – CNRS, UMR 7273, Institut de Chimie Radicalaire, Marseille (France)

2014-01-15

Graphical abstract: -- Highlights: •ESI-MS/MS, IMS and molecular modeling were combined to study PEO-PAMAM conformation. •Protonated and lithiated molecules were studied, with charge states from 2 to 4. •Protonation mostly occurred on PAMAM, with PEO units enclosing the protonated group. •Lithium adduction on PEO units lead to more expanded conformations. •Charge location strongly influenced PEO-PAMAM dissociation behavior. -- Abstract: Tandem mass spectrometry and ion mobility spectrometry experiments were performed on multiply charged molecules formed upon conjugation of a poly(amidoamine) (PAMAM) dendrimer with a poly(ethylene oxide) (PEO) linear polymer to evidence any conformational modification as a function of their charge state (2+ to 4+) and of the adducted cation (H{sup +}vs Li{sup +}). Experimental findings were rationalized by molecular dynamics simulations. The G0 PAMAM head-group could accommodate up to three protons, with protonated terminal amine group enclosed in a pseudo 18-crown-6 ring formed by the PEO segment. This particular conformation enabled a hydrogen bond network which allowed long-range proton transfer to occur during collisionally activated dissociation. In contrast, lithium adduction was found to mainly occur onto oxygen atoms of the polyether, each Li{sup +} cation being coordinated by a 12-crown-4 pseudo structure. As a result, for the studied polymeric segment (M{sub n} = 1500 g mol{sup −1}), PEO-PAMAM hybrid molecules exhibited a more expanded shape when adducted to lithium as compared to proton.

Codes of practice and protocols for the dosimetry in reference conditions of proton and ion beams

International Nuclear Information System (INIS)

Vatnitsky, S.; Andreo, P.

2002-01-01

The advantages of radiotherapy protons and heavier charged-particle beams, the technological feasibility, and the clinical results obtained so far have led to the establishment of about 20 treatment facilities worldwide and plans to open another 20 proton and light-ion therapy centres in the next five years. In order to meet the expanding capabilities of treatment techniques, considerable effort has been devoted during the last fifteen years to the development of the dosimetry and calibration of such beams. This paper reviews these developments and summarizes the present status of Codes of Practice and protocols for the dosimetry in reference conditions of proton and ion beams. The first dosimetry protocol for heavy-particle radiotherapy beams, AAPM TG 20, was based on the use of Faraday cups and calorimeters, whereas ionization chamber dosimetry received little attention. Following the trends in 'nuclear particle' radiotherapy, TG 20 included recommendations for specifying 'dose to tissue'. The lack of availability of a harmonized set of data for the different particles made this protocol to include data for stopping-powers and for the mean energy required to produce and ion pair in air, W air , from multiple authors, without enough attention being paid to their consistency. The increased focus into proton beams was materialized in the publication of the ECHED Code of Practice, dedicated exclusively to protons, where ionization dosimetry received more attention than in TG 20. It was not until the publication of the Supplement to the ECHED recommendations that ionization chambers having a 60 CO calibration factor were recommended as a reference detector for proton dosimetry, and data supplied for chambers with different wall materials. The emphasis on ionization chamber-based proton dosimetry was complemented with a recommendation for using water as dosimetry phantom material and the necessary data on tissue and water to air stopping-power ratios and W air . One of

Gas-phase ion-molecular reactions of free ethylsilylic ions with ethylene

International Nuclear Information System (INIS)

Shchukin, E.V.; Kochina, T.A.; Sinotova, E.N.; Ignat'ev, I.S.

2001-01-01

Interaction of ethylsilylic ions, resulting from β-decay of tritium compounds, with ethylene in gaseous phase was studied by radiochemical method. The interaction occurs via formation of excited adduct C 4 H 11 Si + , its structure presenting a complex of ethylsilylic cation and ethylene. In the course of the complex lifetime isotopic exchange between the cation tritium atoms and proton of ethylene takes place along with isomerization of ethylsilylic cation into dimethylsilylic one. Decomposition of the complex gives rise largely to labeled ethylene formation [ru

Electronic structure of molecular Rydberg states of some small molecules and molecular ion

International Nuclear Information System (INIS)

Sun Biao; Li Jiaming

1993-01-01

Based on an independent-particle-approximation (i.e. the multiple scattering self-consistent-field theory), the electronic structures of Rydberg states of the small diatomic molecules H 2 , He 2 and the He 2 + molecular ion were studied. The principal quantum number of the first state of the Rydberg series is determined from a convention of the limit of the molecular electronic configuration. The dynamics of the excited molecules and molecular ion has been elucidated. The theoretical results are in fair agreement with the existing experimental measurements, thus they can serve as a reliable basis for future refined treatment such as the configuration interaction calculation

Report on proton therapy according to good clinical practice at Hyogo Ion Beam Medical Center

International Nuclear Information System (INIS)

Murakami, Masao; Kagawa, Kazufumi; Hishikawa, Yoshio; Abe, Mitsuyuki

2002-01-01

The Hyogo Ion Beam Medical Center (HIBMC) is a hospital-based charged particle treatment facility. Having two treatment ion beams (proton and carbon) and five treatment rooms, it is a pioneer among particle institutes worldwide. In May 2001, proton therapy was started as a clinical study for patients with localized cancer originating in the head and neck, lung, liver, and prostate. The aim of this study was to investigate the safety, effectiveness, and stability of the treatment units and systems based on the evaluation of acute toxicity, tumor response, and working ratio of the machine, respectively. Six patients, including liver cancer in three, prostate cancer in two, and lung cancer in one, were treated. There was no cessation of therapy owing to machine malfunction. Full courses of proton therapy consisting of 154 portals in all six patients were given exactly as scheduled. None of the patients experienced severe acute reactions of more than grade 3 according to NCI-CTC criteria. Tumor response one month post-treatment was evaluable in five of the six patients, and was CR in 1 (prostate cancer), PR in 2 (lung cancer: 1, liver cancer: 1), and NC in 2 (liver cancer: 2). These results indicate that our treatment units and systems are safe and reliable enough for proton irradiation to be used for several malignant tumors localized in the body. (author)

Gas-phase structure and fragmentation pathways of singly protonated peptides with N-terminal arginine.

Science.gov (United States)

Bythell, Benjamin J; Csonka, István P; Suhai, Sándor; Barofsky, Douglas F; Paizs, Béla

2010-11-25

The gas-phase structures and fragmentation pathways of the singly protonated peptide arginylglycylaspartic acid (RGD) are investigated by means of collision-induced-dissociation (CID) and detailed molecular mechanics and density functional theory (DFT) calculations. It is demonstrated that despite the ionizing proton being strongly sequestered at the guanidine group, protonated RGD can easily be fragmented on charge directed fragmentation pathways. This is due to facile mobilization of the C-terminal or aspartic acid COOH protons thereby generating salt-bridge (SB) stabilized structures. These SB intermediates can directly fragment to generate b(2) ions or facilely rearrange to form anhydrides from which both b(2) and b(2)+H(2)O fragments can be formed. The salt-bridge stabilized and anhydride transition structures (TSs) necessary to form b(2) and b(2)+H(2)O are much lower in energy than their traditional charge solvated counterparts. These mechanisms provide compelling evidence of the role of SB and anhydride structures in protonated peptide fragmentation which complements and supports our recent findings for tryptic systems (Bythell, B. J.; Suhai, S.; Somogyi, A.; Paizs, B. J. Am. Chem. Soc. 2009, 131, 14057-14065.). In addition to these findings we also report on the mechanisms for the formation of the b(1) ion, neutral loss (H(2)O, NH(3), guanidine) fragment ions, and the d(3) ion.

Electron-vibrational transitions under molecular ions collisions with slow electrons

International Nuclear Information System (INIS)

Andreev, E.A.

1993-01-01

A concept of a multichannel quantum defect is considered and basic theoretic ratios of inelastic collisional processes with the participation of molecular positive ions and slow electrons playing an important role both in atmospheric and laboratory plasma, are presented. The problem of scattering channel number limitation with the provision of S-matrix unique character is considered. Different models of electron rotation-vibrational connection under collision of two-atom molecular ions with slow electrons are analysed. Taking N 2 + as an example, a high efficiency of transitions between different electron states of a molecular ion is shown. 73 refs., 9 figs., 1 tab

Hydrogen/deuterium exchange of multiply-protonated cytochrome c ions

International Nuclear Information System (INIS)

Wood, T.D.; Guan, Ziqiang; O'Connor, P.B.

1995-01-01

Low resolution measurements show gaseous multiply-protonated cytochrome c ions undergo hydrogen/deuterium (H/D) exchange with pseudo first-order kinetics at three distinct exchange levels, suggesting the co-existence of gaseous protein conformations. Although exchange levels first increase with increasing charge values, they decrease at the highest charge values, consistent with solution-phase behavior of cytochrome c, where the native structure unfolds with decreasing pH until folding into a compact A-state at lowest pH. High resolution measurements indicate the presence of at least six H/D exchange levels. Infrared (IR) laser heating and fast collisions via quadrupolar excitation (QE) increase H/D exchange levels (unfolding) while charge-stripping ions to lower charge values can increase or decrease H/D exchange levels (unfolding or folding). Wolynes has suggested studying proteins in vacuo could play an important role in delineating the contributions various forces play in the protein folding process, provided appropriate comparisons can be made between gas-phase and solution-phase structures

Non-destructive state detection for quantum logic spectroscopy of molecular ions.

Science.gov (United States)

Wolf, Fabian; Wan, Yong; Heip, Jan C; Gebert, Florian; Shi, Chunyan; Schmidt, Piet O

2016-02-25

Precision laser spectroscopy of cold and trapped molecular ions is a powerful tool in fundamental physics--used, for example, in determining fundamental constants, testing for their possible variation in the laboratory, and searching for a possible electric dipole moment of the electron. However, the absence of cycling transitions in molecules poses a challenge for direct laser cooling of the ions, and for controlling and detecting their quantum states. Previously used state-detection techniques based on photodissociation or chemical reactions are destructive and therefore inefficient, restricting the achievable resolution in laser spectroscopy. Here, we experimentally demonstrate non-destructive detection of the quantum state of a single trapped molecular ion through its strong Coulomb coupling to a well controlled, co-trapped atomic ion. An algorithm based on a state-dependent optical dipole force changes the internal state of the atom according to the internal state of the molecule. We show that individual quantum states in the molecular ion can be distinguished by the strength of their coupling to the optical dipole force. We also observe quantum jumps (induced by black-body radiation) between rotational states of a single molecular ion. Using the detuning dependence of the state-detection signal, we implement a variant of quantum logic spectroscopy of a molecular resonance. Our state-detection technique is relevant to a wide range of molecular ions, and could be applied to state-controlled quantum chemistry and to spectroscopic investigations of molecules that serve as probes for interstellar clouds.

Beam-loss induced pressure rise of Large Hadron Collider collimator materials irradiated with 158 GeV/u $In^{49+}$ ions at the CERN Super Proton Synchrotron

CERN Document Server

Mahner, Edgar; Hansen, Jan; Page, Eric; Vincke, H

2004-01-01

During heavy ion operation, large pressure rises, up to a few orders of magnitude, were observed at CERN, GSI, and BNL. The dynamic pressure rises were triggered by lost beam ions that impacted onto the vacuum chamber walls and desorbed about 10/sup 4/ to 10/sup 7/ molecules per ion. The deterioration of the dynamic vacuum conditions can enhance charge-exchange beam losses and can lead to beam instabilities or even to beam abortion triggered by vacuum interlocks. Consequently, a dedicated measurement of heavy-ion induced molecular desorption in the GeV/u energy range is important for Large Hadron Collider (LHC) ion operation. In 2003, a desorption experiment was installed at the super proton synchrotron to measure the beam-loss induced pressure rise of potential LHC collimator materials. Samples of bare graphite, sputter coated (Cu, TiZrV) graphite, and 316 LN (low carbon with nitrogen) stainless steel were irradiated under grazing angle with 158 GeV/u indium ions. After a description of the new experimental ...

Use of molecular ion beams from a tandem accelerator

International Nuclear Information System (INIS)

Faibis, A.; Goldring, G.; Hass, M.; Kaim, R.; Plesser, I.; Vager, Z.

1981-01-01

A large variety of positive molecular ion beams can be produced by gaseous charge exchange in the terminal of a tandem accelerator. After acceleration the molecules are usually dissociated by passage through a thin foil. Measurements of the break-up products provide a way to study both the structure of incident ions and the effects of electronic potentials on the internuclear interaction inside the foil. Beam intensities of a few picoamperes are quite adequate for these measurements, and the relatively high energy obtained by use of a tandem accelerator has the advantage of minimizing multiple scattering effects in the foil. The main difficulty in using the molecular beams lies in the large magnetic rigidity of singly-charged heavy molecular ions

Differential Bystander Signaling Between Radioresistant Chondrosarcoma Cells and Fibroblasts After X-Ray, Proton, Iron Ion and Carbon Ion Exposures

Energy Technology Data Exchange (ETDEWEB)

Wakatsuki, Masaru, E-mail: wa@mbe.nifty.com [Research Center for Charged Particle Therapy, National Institute of Radiological Sciences, Chiba (Japan); Department of Radiation Oncology, Massachusetts General Hospital/Harvard Medical School, Boston, Massachusetts (United States); Magpayo, Nicole; Kawamura, Hidemasa; Held, Kathryn D. [Department of Radiation Oncology, Massachusetts General Hospital/Harvard Medical School, Boston, Massachusetts (United States)

2012-09-01

Purpose: Chondrosarcoma is well known as a radioresistant tumor, but the mechanisms underlying that resistance are still unclear. The bystander effect is well documented in the field of radiation biology. We investigated the bystander response induced by X-rays, protons, carbon ions, and iron ions in chondrosarcoma cells using a transwell insert co-culture system that precludes physical contact between targeted and bystander cells. Methods and Materials: Human chondrosarcoma cells were irradiated with 0.1-, 0.5-, 1-, and 2-Gy X-rays, protons, carbon ions or iron ions using a transwell insert co-culture system. Formation of micronuclei and p53 binding protein 1 staining in bystander and irradiated cells were analyzed and bystander signaling between mixed cultures of chondrosarcoma cells, and normal human skin fibroblasts was investigated. Results: In this study, we show that the fraction of cells with DNA damages in irradiated chondrosarcoma cells showed dose-dependent increases with all beams. However, the fraction of cells with DNA damages in all bystander chondrosarcoma cells did not show any change from the levels in control cells. In the bystander signaling between mixed cultures of chondrosarcoma cells and fibroblasts, the amount of micronucleus formation in all bystander chondrosarcoma cells co-cultured with irradiated fibroblasts were the same as the levels for control cells. However, all bystander fibroblasts co-cultured with irradiated chondrosarcoma cells showed significant increases in the fraction of micronucleated cells compared to the rate of control cells. Conclusions: We conclude that chondrosarcoma cells in the transwell insert co-culture system could release bystander stimulations but could not develop bystander responses.

Differential Bystander Signaling Between Radioresistant Chondrosarcoma Cells and Fibroblasts After X-Ray, Proton, Iron Ion and Carbon Ion Exposures

International Nuclear Information System (INIS)

Wakatsuki, Masaru; Magpayo, Nicole; Kawamura, Hidemasa; Held, Kathryn D.

2012-01-01

Purpose: Chondrosarcoma is well known as a radioresistant tumor, but the mechanisms underlying that resistance are still unclear. The bystander effect is well documented in the field of radiation biology. We investigated the bystander response induced by X-rays, protons, carbon ions, and iron ions in chondrosarcoma cells using a transwell insert co-culture system that precludes physical contact between targeted and bystander cells. Methods and Materials: Human chondrosarcoma cells were irradiated with 0.1-, 0.5-, 1-, and 2-Gy X-rays, protons, carbon ions or iron ions using a transwell insert co-culture system. Formation of micronuclei and p53 binding protein 1 staining in bystander and irradiated cells were analyzed and bystander signaling between mixed cultures of chondrosarcoma cells, and normal human skin fibroblasts was investigated. Results: In this study, we show that the fraction of cells with DNA damages in irradiated chondrosarcoma cells showed dose-dependent increases with all beams. However, the fraction of cells with DNA damages in all bystander chondrosarcoma cells did not show any change from the levels in control cells. In the bystander signaling between mixed cultures of chondrosarcoma cells and fibroblasts, the amount of micronucleus formation in all bystander chondrosarcoma cells co-cultured with irradiated fibroblasts were the same as the levels for control cells. However, all bystander fibroblasts co-cultured with irradiated chondrosarcoma cells showed significant increases in the fraction of micronucleated cells compared to the rate of control cells. Conclusions: We conclude that chondrosarcoma cells in the transwell insert co-culture system could release bystander stimulations but could not develop bystander responses.

Calculation of rate coefficients of some proton-transfer ion-molecule reactions in weakly ionized gases

International Nuclear Information System (INIS)

Stiller, W.

1985-01-01

A classical collision theory is used to describe thermal bimolecular rate coefficeints for reaction between positive and negative ions and polar molecules in a carrier gas. Special attention is paid to ion-molecule reaction in which proton transfer occurs. These reactions play an important role in terrestrial plasma devices, in ionosphere, in planetary atmospheres and in interstellar matter. The equilibrium rate coefficients of the reactions are calculated based on a microscopic reactive cross section derived from a long distance polar molecule-ion potential. The results are compared with experimental values of afterglow measurements. (D.Gy.)

Direct writing of microtunnels using proton beam micromachining

International Nuclear Information System (INIS)

Marot, Laurent; Munnik, Frans; Mikhailov, Serguei

2006-01-01

The production of high aspect ratio microstructures is a potential growth area. The combination of deep X-ray lithography with electroforming and micromolding (i.e. LIGA) is one of the main techniques used to produce 3D microstructures. The new technique of proton micromachining employs focused MeV protons in a direct write process which is complementary to LIGA. During ion exposure of positive photoresist like PMMA, scission of molecular chains occurs. These degraded polymer chains are removed by the developer. The aim of this paper is to investigate the capabilities of proton micromachining as a lithographic technique. We show the realization of sub-surface channels, or microtunnels, which have been fabricated in only one exposure and without cutting or resurfacing the material. Using our Van-de-Graaff accelerator, the resist (PMMA) has been exposed with high-energy protons (2.5 MeV). The range of charged particles in matter is well-defined and depends on the energy. Therefore, it is possible to obtain a dose which is sufficient to develop the bottom part of the ion paths but not the top part. Thus, by selecting the energy and the exposure time, a big variety of microtunnels can be realized

Deposition of molecular probes in heavy ion tracks

CERN Document Server

Esser, M

1999-01-01

By using polarized fluorescence techniques the physical properties of heavy ion tracks such as the dielectric number, molecular alignment and track radius can be traced by molecular fluorescence probes. Foils of poly(ethylene terephthalate) (PET) were used as a matrix for the ion tracks wherein fluorescence probes such as aminostyryl-derivatives can be incorporated using a suitable solvent, e.g. N,N'-dimethylformamide (DMF) as transport medium. The high sensitivity of fluorescence methods allowed the comparison of the probe properties in ion tracks with the virgin material. From the fluorescence Stokes shift the dielectric constants could be calculated, describing the dielectric surroundings of the molecular probes. The lower dielectric constant in the tracks gives clear evidence that there is no higher accommodation of the highly polar solvent DMF in the tracks compared with the virgin material. Otherwise the dielectric constant in the tracks should be higher than in the virgin material. The orientation of t...

Gas phase reactions of protonated 1,3-diphenylpropyne and some isomeric [C15H13]+ ions

OpenAIRE

Bäther, Wolfgang; Kuck, Dietmar; Grützmacher, Hans-Friedrich

1985-01-01

Metastable (3-phenyl-2-propynyl)benzenium ions, generated by electron impact induced fragmentation from the appropriately substituted 1,4-dihydrobenzoic acid, react by loss of ·CH3 and C6H6. The study of deuterated derivatives reveals that hydrogen/deuterium exchanges involving all hydrogen and deuterium atoms precede the fragmentations. The results suggest a skeletal rearrangement by electrophilic ring-closure reactions giving rise to protonated phenylindene and protonated 9,10-methano-9,10-...

Water equivalent thickness values of materials used in beams of protons, helium, carbon and iron ions.

Science.gov (United States)

Zhang, Rui; Taddei, Phillip J; Fitzek, Markus M; Newhauser, Wayne D

2010-05-07

Heavy charged particle beam radiotherapy for cancer is of increasing interest because it delivers a highly conformal radiation dose to the target volume. Accurate knowledge of the range of a heavy charged particle beam after it penetrates a patient's body or other materials in the beam line is very important and is usually stated in terms of the water equivalent thickness (WET). However, methods of calculating WET for heavy charged particle beams are lacking. Our objective was to test several simple analytical formulas previously developed for proton beams for their ability to calculate WET values for materials exposed to beams of protons, helium, carbon and iron ions. Experimentally measured heavy charged particle beam ranges and WET values from an iterative numerical method were compared with the WET values calculated by the analytical formulas. In most cases, the deviations were within 1 mm. We conclude that the analytical formulas originally developed for proton beams can also be used to calculate WET values for helium, carbon and iron ion beams with good accuracy.

Particles that fight cancer: the use of protons and carbon ions in cancer therapy

CERN Multimedia

CERN. Geneva

2014-01-01

Particles that fight cancer: the use of protons and carbon ions in cancer therapy Cancer is a major societal issue. A key challenge for cancer therapy is the complex and multifaceted nature of the disease, which calls for personalised treatment. Radiotherapy has been used to treat tumours for more than a century, and is still a staple in oncology: today, 50 % of cancer patients receive radiotherapy, half of them with curative intent. Hadrontherapy is one of the most technologically advanced methods of delivering radiation dose to the tumour while protecting surrounding healthy tissues. In addition, hadrontherapy can reach otherwise difficult to access deep-seated tumours and can be used for radio resistant tumours as in hypoxia. This year marks 60 years since the first patient was treated with protons in the US and 20 years since the use of carbon ions in Japan. Join us in learning about the journey of particle therapy in Japan and Europe, its challenges, clinical results and future prospects. Thursday 2...

Low pressure gas detectors for molecular-ion break up studies

International Nuclear Information System (INIS)

Breskin, A.; Chechik, R.; Zwang, N.

1981-01-01

Two detector systems for Molecular ions like OH + and CH 2 + and like H 2 + and H 3 + were developed and are described. The first detector is installed in a magnetic spectrometer. Both systems are made of various types of gas detectors operating at low pressures. In the study of the Coulomb explosion of molecular ions like OH + , CH 2 + or H 3 + these detectors provide the position and time coordinates of all the fragments of the molecular ion, in coincidence, in order to determine their energy and angular distribution. In the case of molecules containing atoms other than hydrogen, information on the electronic charge state is obtained. (H.K.)

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

Science.gov (United States)

Chen, Mohan; Zheng, Lixin; Santra, Biswajit; Ko, Hsin-Yu; DiStasio, Robert A., Jr.; Klein, Michael L.; Car, Roberto; Wu, Xifan

2018-03-01

Proton transfer via hydronium and hydroxide ions in water is ubiquitous. It underlies acid-base chemistry, certain enzyme reactions, and even infection by the flu. Despite two centuries of investigation, the mechanism underlying why hydroxide diffuses slower than hydronium in water is still not well understood. Herein, we employ state-of-the-art density-functional-theory-based molecular dynamics—with corrections for non-local van der Waals interactions, and self-interaction in the electronic ground state—to model water and hydrated water ions. At this level of theory, we show that structural diffusion of hydronium preserves the previously recognized concerted behaviour. However, by contrast, proton transfer via hydroxide is less temporally correlated, due to a stabilized hypercoordination solvation structure that discourages proton transfer. Specifically, the latter exhibits non-planar geometry, which agrees with neutron-scattering results. Asymmetry in the temporal correlation of proton transfer leads to hydroxide diffusing slower than hydronium.

Detailed analysis of the cell-inactivation mechanism by accelerated protons and light ions

Czech Academy of Sciences Publication Activity Database

Kundrát, Pavel

2006-01-01

Roč. 51, - (2006), s. 1185-1199 ISSN 0031-9155 R&D Projects: GA ČR GA202/05/2728 Institutional research plan: CEZ:AV0Z10100502 Keywords : biological effects of ionizing particles * cell inactivation * modelling * protons * light ions * hadron radiotherapy Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 2.873, year: 2006

Integration and evaluation of automated Monte Carlo simulations in the clinical practice of scanned proton and carbon ion beam therapy.

Science.gov (United States)

Bauer, J; Sommerer, F; Mairani, A; Unholtz, D; Farook, R; Handrack, J; Frey, K; Marcelos, T; Tessonnier, T; Ecker, S; Ackermann, B; Ellerbrock, M; Debus, J; Parodi, K

2014-08-21

Monte Carlo (MC) simulations of beam interaction and transport in matter are increasingly considered as essential tools to support several aspects of radiation therapy. Despite the vast application of MC to photon therapy and scattered proton therapy, clinical experience in scanned ion beam therapy is still scarce. This is especially the case for ions heavier than protons, which pose additional issues like nuclear fragmentation and varying biological effectiveness. In this work, we present the evaluation of a dedicated framework which has been developed at the Heidelberg Ion Beam Therapy Center to provide automated FLUKA MC simulations of clinical patient treatments with scanned proton and carbon ion beams. Investigations on the number of transported primaries and the dimension of the geometry and scoring grids have been performed for a representative class of patient cases in order to provide recommendations on the simulation settings, showing that recommendations derived from the experience in proton therapy cannot be directly translated to the case of carbon ion beams. The MC results with the optimized settings have been compared to the calculations of the analytical treatment planning system (TPS), showing that regardless of the consistency of the two systems (in terms of beam model in water and range calculation in different materials) relevant differences can be found in dosimetric quantities and range, especially in the case of heterogeneous and deep seated treatment sites depending on the ion beam species and energies, homogeneity of the traversed tissue and size of the treated volume. The analysis of typical TPS speed-up approximations highlighted effects which deserve accurate treatment, in contrast to adequate beam model simplifications for scanned ion beam therapy. In terms of biological dose calculations, the investigation of the mixed field components in realistic anatomical situations confirmed the findings of previous groups so far reported only in

Database for inelastic collisions of lithium atoms with electrons, protons, and multiply charged ions

NARCIS (Netherlands)

Schweinzer, J; Brandenburg, R; Bray, [No Value; Hoekstra, R; Aumayr, F; Janev, RK; Winter, HP

New experimental and theoretical cross-section data for inelastic collision processes of Li atoms in the ground state and excited states (up to n = 4) with electrons, protons, and multiply charged ions have been reported since the database assembled by Wutte et al. [ATOMIC DATA AND NUCLEAR DATA

Indication of a Differential Freeze-out in Proton-Proton and Heavy-Ion Collisions at RHIC and LHC energies

CERN Document Server

Thakur, Dhananjaya; Garg, Prakhar; Sahoo, Raghunath; Cleymans, Jean

2016-01-01

The experimental data from the RHIC and LHC experiments of invariant pT spectra in A+A and p + p collisions are analysed with Tsallis distributions in different approaches. The information about the freeze-out surface in terms of freeze-out volume, temperature, chemical potential and radial flow velocity for different particle species are obtained. Further, these parameters are studied as a function of the mass of the secondary particles. A mass-dependent differential freeze-out is observed which does not seem to distinguish between particles and their antiparticles. Further a mass-hierarchy in the radial flow is observed, meaning heavier particles suffer lower radial flow. Tsallis distribution function at finite chemical potential is used to study the mass dependence of chemical potential. The peripheral heavy-ion and proton-proton collisions at the same energies seem to be equivalent in terms of the extracted thermodynamic parameters.

Physics with colder molecular ions: The Heidelberg Cryogenic Storage Ring CSR

International Nuclear Information System (INIS)

Zajfman, D; Wolf, A; Schwalm, D; Orlov, D A; Grieser, M; Hahn, R von; Welsch, C P; Lopez-Urrutia, J R Crespo; Schroeter, C D; Urbain, X; Ullrich, J

2005-01-01

A novel cryogenic electrostatic storage ring is planned to be built at the Max-Planck Institute for Nuclear Physics in Heidelberg. The machine is expected to operate at low temperatures (∼2K) and to store beams with kinetic energies between 20 to 300 keV. An electron target based on cooled photocathode technology will serve as a major tool for the study of reactions between molecular ions and electrons. Moreover, atomic beams can be merged and crossed with the stored ion beams allowing for atom molecular-ion collision studies at very low up to high relative energies. The proposed experimental program, centered around the physics of cold molecular ions, is shortly outlined

Protonation of pyridine. Vol. 2

Energy Technology Data Exchange (ETDEWEB)

Zahran, N F; Ghoniem, H; Helal, A I [Physics Dept., Nuclear Research Center, AEA., Cairo, (Egypt); Rasheed, N [Nuclear Material Authority, Cairo, (Egypt)

1996-03-01

Field ionization mass spectra of pyridine is measured using 10{mu}m activated wire. protonation of pyridine, is observed as an intense peak in the mass spectra. Charge distribution of pyridine molecule is calculated using the modified neglect of diatomic overlap (MNDO) technique, and consequently proton attachment is proposed to be on the nitrogen atom. Temperature dependence of (M+H){sup +} ion is investigated and discussed. MNDO calculations of the protonated species are done, and the proton affinity of pyridine molecule is estimated. Time dependence of the field ionization process of pyridine and protonated ions are observed and discussed. 5 figs.

Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals

Science.gov (United States)

Rillo, Giovanni; Morales, Miguel A.; Ceperley, David M.; Pierleoni, Carlo

2018-03-01

We performed simulations for solid molecular hydrogen at high pressures (250 GPa ≤ P ≤ 500 GPa) along two isotherms at T = 200 K (phase III) and at T = 414 K (phase IV). At T = 200 K, we considered likely candidates for phase III, the C2c and Cmca12 structures, while at T = 414 K in phase IV, we studied the Pc48 structure. We employed both Coupled Electron-Ion Monte Carlo (CEIMC) and Path Integral Molecular Dynamics (PIMD). The latter is based on Density Functional Theory (DFT) with the van der Waals approximation (vdW-DF). The comparison between the two methods allows us to address the question of the accuracy of the exchange-correlation approximation of DFT for thermal and quantum protons without recurring to perturbation theories. In general, we find that atomic and molecular fluctuations in PIMD are larger than in CEIMC which suggests that the potential energy surface from vdW-DF is less structured than the one from quantum Monte Carlo. We find qualitatively different behaviors for systems prepared in the C2c structure for increasing pressure. Within PIMD, the C2c structure is dynamically partially stable for P ≤ 250 GPa only: it retains the symmetry of the molecular centers but not the molecular orientation; at intermediate pressures, it develops layered structures like Pbcn or Ibam and transforms to the metallic Cmca-4 structure at P ≥ 450 GPa. Instead, within CEIMC, the C2c structure is found to be dynamically stable at least up to 450 GPa; at increasing pressure, the molecular bond length increases and the nuclear correlation decreases. For the other two structures, the two methods are in qualitative agreement although quantitative differences remain. We discuss various structural properties and the electrical conductivity. We find that these structures become conducting around 350 GPa but the metallic Drude-like behavior is reached only at around 500 GPa, consistent with recent experimental claims.

Periodic orbits of the hydrogen molecular ion and their quantization

International Nuclear Information System (INIS)

Duan, Y.; Yuan, J.; Bao, C.

1995-01-01

In a classical study of the hydrogen molecular ion beyond the Born-Oppenheimer approximation (BOA), we have found that segments of trajectories resemble that of the Born-Oppenheimer approximation periodic orbits. The importance of this fact to the classical understanding of chemical bonding leads us to a systematic study of the periodic orbits of the planar hydrogen molecular ion within the BOA. Besides introducing a classification scheme for periodic orbits, we discuss the convergence properties of families of periodic orbits and their bifurcation patterns according to their types. Semiclassical calculations of the density of states based on these periodic orbits yield results in agreement with the exact quantum eigenvalues of the hydrogen molecular ion system

Collision induced fragmentation of fast molecular ions in solids and gases

International Nuclear Information System (INIS)

Gemmell, D.S.

1979-01-01

A brief review is given of recent high resolution measurements on fragments arising from the collision-induced dissociation of fast (MeV) molecular ions. For solid targets, strong wake effects are observed. For gaseous targets, excited electronic states of the projectile ions play an important role. Measurements of this type provide useful information on the charge states of fast ions traversing matter. The experimental techniques show promise as a unique method for determining the geometrical structures of the molecular-ion projectiles. 41 references

Sputtering of Lunar Regolith Simulant by Protons and Multicharged Heavy Ions at Solar Wind Energies

International Nuclear Information System (INIS)

Meyer, Fred W.; Harris, Peter R.; Taylor, C.N.; Meyer, Harry M. III; Barghouty, N.; Adams, J. Jr.

2011-01-01

We report preliminary results on sputtering of a lunar regolith simulant at room temperature by singly and multiply charged solar wind ions using quadrupole and time-of-flight (TOF) mass spectrometry approaches. Sputtering of the lunar regolith by solar-wind heavy ions may be an important particle source that contributes to the composition of the lunar exosphere, and is a possible mechanism for lunar surface ageing and compositional modification. The measurements were performed in order to assess the relative sputtering efficiency of protons, which are the dominant constituent of the solar wind, and less abundant heavier multicharged solar wind constituents, which have higher physical sputtering yields than same-velocity protons, and whose sputtering yields may be further enhanced due to potential sputtering. Two different target preparation approaches using JSC-1A AGGL lunar regolith simulant are described and compared using SEM and XPS surface analysis.

Simulation and dosimetric analysis of protons, {sup 4}He ions and {sup 12}C ions beams for brain neoplasm therapy; Simulacao e analise dosimetrica de feixes de protons e ions de {sup 4}He e {sup 12}C em tratamento de tumor cerebral

Energy Technology Data Exchange (ETDEWEB)

Santos, Guilherme M.; Mello, Victor Barreto Braga [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil); Mello Neto, Joao R.T. de [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

2016-07-01

This study aims to simulate protons, {sup 4}He ions and {sup 12}C ions beams, radiating the head of an average-sized man with the purpose of treating a hypothalamic tumor. GEANT4 was used to simulate the head (skin, skull and brain), and the beam, giving their characteristics and also the physical processes involved. The results sought herein are graphs of depth for relative dose for each of the three particles incident on the settings mentioned above. (author)

Relative ion yields in mammalian cell components using C60 SIMS

Science.gov (United States)

Keskin, Selda; Piwowar, Alan; Hue, Jonathan; Shen, Kan; Winograd, Nicholas

2013-01-01

Time of flight secondary ion mass spectrometry has been used to better understand the influence of molecular environment on the relative ion yields of membrane lipid molecules found in high abundance in a model mammalian cell line, RAW264.7. Control lipid mixtures were prepared to simulate lipid–lipid interactions in the inner and outer leaflet of cell membranes. Compared with its pure film, the molecular ion yields of 1,2-dioleoyl-sn-glycero-3-phosphocholine and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine are suppressed when mixed with 2-dipalmitoyl-sn-glycero-3-phosphocholine. In the mixture, proton competition between 1,2-dioleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, and 2-dipalmitoyl-sn-glycero-3-phosphocholine led to lower ionization efficiency. The possible mechanism for ion suppression was also investigated with 1H and 13C nuclear magnetic resonance spectroscopy. The formation of a hydroxyl bond in lipid mixtures confirms the mechanism involving proton exchange with the surrounding environment. Similar effects were observed for lipid mixtures mimicking the composition of the inner leaflet of cell membranes. The secondary molecular ion yield of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine was observed to be enhanced in the presence of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine. PMID:25140069

Metal ion sequestration: An exciting dimension for molecularly ...

African Journals Online (AJOL)

The use of a tight binding macrocyclic ligand to complex a metal ion so that this serves as receptee on the Molecularly Imprinted Polymer (MIP) receptor as described here affords a sequestration route for a targeted metal ion, with potential for environmental remediation and restoration applications. Ethylene glycol ...

Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies.

Science.gov (United States)

Ahmed, Arif; Lim, Dongwon; Choi, Cheol Ho; Kim, Sunghwan

2017-06-30

The theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive-mode (+) atmospheric-pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study. A parameter is devised by combining experimental MS data and high-level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange-correlation functions with the standard 6-311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations. All the molecules with ΔH toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI. The data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Geant4 simulation of clinical proton and carbon ion beams for the treatment of ocular melanomas with the full 3-D pencil beam scanning system

Energy Technology Data Exchange (ETDEWEB)

Farina, Edoardo; Riccardi, Cristina; Rimoldi, Adele; Tamborini, Aurora [University of Pavia and the INFN section of Pavia, via Bassi 6, 27100 Pavia (Italy); Piersimoni, Pierluigi [Division of Radiation Research, Loma Linda University, Loma Linda, CA 92354 (United States); Ciocca, Mario [Medical Physics Unit, CNAO Foundation, Strada Campeggi 53, 27100 Pavia (Italy)

2015-07-01

This work investigates the possibility to use carbon ion beams delivered with active scanning modality, for the treatment of ocular melanomas at the Centro Nazionale di Adroterapia Oncologica (CNAO) in Pavia. The radiotherapy with carbon ions offers many advantages with respect to the radiotherapy with protons or photons, such as a higher relative radio-biological effectiveness (RBE) and a dose release better localized to the tumor. The Monte Carlo (MC) Geant4 10.00 patch-03 toolkit is used to reproduce the complete CNAO extraction beam line, including all the active and passive components characterizing it. The simulation of proton and carbon ion beams and radiation scanned field is validated against CNAO experimental data. For the irradiation study of the ocular melanoma an eye-detector, representing a model of a human eye, is implemented in the simulation. Each element of the eye is reproduced with its chemical and physical properties. Inside the eye-detector a realistic tumor volume is placed and used as the irradiation target. A comparison between protons and carbon ions eye irradiations allows to study possible treatment benefits if carbon ions are used instead of protons. (authors)

Guiding of slow neon and molecular hydrogen ions through nanocapillaries in PET

International Nuclear Information System (INIS)

Stolterfoht, N.; Hellhammer, R.; Sobocinski, P.; Pesic, Z.D.; Bundesmann, J.; Sulik, B.; Shah, M.B.; Dunn, K.; Pedregosa, J.; McCullough, R.W.

2005-01-01

The transmission profiles of atomic 3keV Ne 7+ ions and molecular 1keV H 2 + and H 3 + ions passing through nanocapillaries were studied. Capillaries with a diameter of 100nm and a length of 10μm in insulating PET polymers were used. The high aspect ratio of 100 is achieved by the method of etching ion tracks produced by high-energy xenon impact. The angular distributions of the transmitted projectiles show that the majority of ions are transported in their initial charge state along the capillary axis even when the capillaries are tilted with respect to the incident beam direction. This result indicates ion-guiding, which is produced by charge-up effects influencing the ion trajectories in a self-supporting manner. The guiding effects are found to be different for highly charged neon and singly charged molecular hydrogen. Negligible fragmentation of the molecular ions was observed

Protonation of caffeine: A theoretical and experimental study

Energy Technology Data Exchange (ETDEWEB)

Bahrami, Hamed [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Tabrizchi, Mahmoud, E-mail: m-tabriz@cc.iut.ac.ir [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Farrokhpour, Hossein [Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

2013-03-29

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M{sup +} ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule.

Protonation of caffeine: A theoretical and experimental study

International Nuclear Information System (INIS)

Bahrami, Hamed; Tabrizchi, Mahmoud; Farrokhpour, Hossein

2013-01-01

Highlights: ► Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources. ► Experimental and theoretical evidence was collected to assign the observed peaks to caffeine related ionic species. ► A new concept of “internal proton affinity”, the protonation tendency for each atom in a molecule, was defined. - Abstract: Protonation of caffeine was examined by ion mobility spectrometry equipped with two ionization sources, corona discharge (CD) and UV photoionization. Three peaks were observed in ion mobility spectrum by simultaneously running the two ionization sources. Experimental and theoretical evidence was collected to link the observed peaks to caffeine related ionic species. One peak was attributed to the M + ion while the other two were assigned to different protonated isomers of caffeine. In the case of CD ionization source, it was observed that different sites of caffeine compete for protonation and their relative intensities, depends on the sample concentration as well as the nature of the reactant ions. The new concept of “internal proton affinity” (IPA) was defined to express the tendency of holding the added proton for each atom in a molecule

Protons and how they are transported by proton pumps

DEFF Research Database (Denmark)

Buch-Pedersen, Morten Jeppe; Pedersen, Bjørn Panyella; Nissen, Poul

2008-01-01

molecular components that allow the plasma membrane proton H(+)-ATPase to carry out proton transport against large membrane potentials. When divergent proton pumps such as the plasma membrane H(+)-ATPase, bacteriorhodopsin, and F(O)F(1) ATP synthase are compared, unifying mechanistic premises for biological...... proton pumps emerge. Most notably, the minimal pumping apparatus of all pumps consists of a central proton acceptor/donor, a positively charged residue to control pK (a) changes of the proton acceptor/donor, and bound water molecules to facilitate rapid proton transport along proton wires....

Radiation damage to uracil and water by proton and electron impact

International Nuclear Information System (INIS)

Scheier, P.; Hanel, G.; Denifl, S; Gstir, B.; Maerk, T.D.; Farizon, B.; Farizon, M.; Coupier, B.

2002-01-01

Full text: The inelastic interaction of protons (in the energy range from 20 keV to 150 keV) and electrons (from thermal energies up to 20 eV) with water and uracil, the latter a building block of the RNA has been studied in two laboratories with specially designed experimental setups. These measurements are motivated from a present lack of understanding how on a molecular level damage to living cells and organisms is caused. A unique way of simultaneous detection of the product ions after swift proton (or hydrogen) impact and the analysis of the charge state of the projectile after the collision allows to distinguish between direct ionization (e.g., projectile remains a proton) and electron capture events (e.g., proton becomes neutralized). The latter process turns out to be more destructive, i.e. leads to a higher yield of fragmentation. For electrons both the formation of positively and negatively charged ions has been investigated. We discovered that already thermal electrons lead with a rather large cross section to a dissociation of the uracil molecule producing an anion and a fast hydrogen radical. (author)

Doppler-shift proton fraction measurement on a CW proton injector

International Nuclear Information System (INIS)

Kamperschroer, J.H.; Sherman, J.D.; Zaugg, T.J.; Arvin, A.H.; Bolt, A.S.; Richards, M.C.

1998-01-01

A spectrometer/Optical Multi-channel Analyzer has been used to measure the proton fraction of the cw proton injector developed for the Accelerator Production of Tritium (APT) and the Low Energy Demonstration Accelerator (LEDA) at Los Alamos. This technique, pioneered by the Lawrence Berkeley National Laboratory (LBNL), was subsequently adopted by the international fusion community as the standard for determining the extracted ion fractions of neutral beam injectors. Proton fractions up to 95 ± 3% have been measured on the LEDA injector. These values are in good agreement with results obtained by magnetically sweeping the ion beam, collimated by a slit, across a Faraday cup. Since the velocity distribution of each beam species is measured, it also can be used to determine beam divergence. While divergence has not yet been ascertained due to the wide slit widths in use, non-Gaussian distributions have been observed during operation above the design-matched perveance. An additional feature is that the presence of extracted water ions can be observed. During ion source conditioning at 75 kV, an extracted water fraction > 30% was briefly observed

An acid-sensing ion channel from shark (Squalus acanthias) mediates transient and sustained responses to protons.

Science.gov (United States)

Springauf, Andreas; Gründer, Stefan

2010-03-01

Acid-sensing ion channels (ASICs) are proton-gated Na(+) channels. They are implicated in synaptic transmission, detection of painful acidosis, and possibly sour taste. The typical ASIC current is a transient, completely desensitizing current that can be blocked by the diuretic amiloride. ASICs are present in chordates but are absent in other animals. They have been cloned from urochordates, jawless vertebrates, cartilaginous shark and bony fish, from chicken and different mammals. Strikingly, all ASICs that have so far been characterized from urochordates, jawless vertebrates and shark are not gated by protons, suggesting that proton gating evolved relatively late in bony fish and that primitive ASICs had a different and unknown gating mechanism. Recently, amino acids that are crucial for the proton gating of rat ASIC1a have been identified. These residues are completely conserved in shark ASIC1b (sASIC1b), prompting us to re-evaluate the proton sensitivity of sASIC1b. Here we show that, contrary to previous findings, sASIC1b is indeed gated by protons with half-maximal activation at pH 6.0. sASIC1b desensitizes quickly but incompletely, efficiently encoding transient as well as sustained proton signals. Our results show that the conservation of the amino acids crucial for proton gating can predict proton sensitivity of an ASIC and increase our understanding of the evolution of ASICs.

Molecular recognition of naphthalene diimide ligands by telomeric quadruplex-DNA: the importance of the protonation state and mediated hydrogen bonds.

Science.gov (United States)

Spinello, A; Barone, G; Grunenberg, J

2016-01-28

In depth Monte Carlo conformational scans in combination with molecular dynamics (MD) simulations and electronic structure calculations were applied in order to study the molecular recognition process between tetrasubstituted naphthalene diimide (ND) guests and G-quadruplex (G4) DNA receptors. ND guests are a promising class of telomere stabilizers due to which they are used in novel anticancer therapeutics. Though several ND guests have been studied experimentally in the past, the protonation state under physiological conditions is still unclear. Based on chemical intuition, in the case of N-methyl-piperazine substitution, different protonation states are possible and might play a crucial role in the molecular recognition process by G4-DNA. Depending on the proton concentration, different nitrogen atoms of the N-methyl-piperazine might (or might not) be protonated. This fact was considered in our simulation in terms of a case by case analysis, since the process of molecular recognition is determined by possible donor or acceptor positions. The results of our simulations show that the electrostatic interactions between the ND ligands and the G4 receptor are maximized in the case of the protonation of the terminal nitrogen atoms, forming compact ND G4 complexes inside the grooves. The influence of different protonation states in terms of the ability to form hydrogen bonds with the sugar-phosphate backbone, as well as the importance of mediated vs. direct hydrogen bonding, was analyzed in detail by MD and relaxed force constant (compliance constant) simulations.

Heavy Ion SEU Cross Section Calculation Based on Proton Experimental Data, and Vice Versa

CERN Document Server

Wrobel, F; Pouget, V; Dilillo, L; Ecoffet, R; Lorfèvre, E; Bezerra, F; Brugger, M; Saigné, F

2014-01-01

The aim of this work is to provide a method to calculate single event upset (SEU) cross sections by using experimental data. Valuable tools such as PROFIT and SIMPA already focus on the calculation of the proton cross section by using heavy ions cross-section experiments. However, there is no available tool that calculates heavy ion cross sections based on measured proton cross sections with no knowledge of the technology. We based our approach on the diffusion-collection model with the aim of analyzing the characteristics of transient currents that trigger SEUs. We show that experimental cross sections could be used to characterize the pulses that trigger an SEU. Experimental results allow yet defining an empirical rule to identify the transient current that are responsible for an SEU. Then, the SEU cross section can be calculated for any kind of particle and any energy with no need to know the Spice model of the cell. We applied our method to some technologies (250 nm, 90 nm and 65 nm bulk SRAMs) and we sho...

An optimized protocol for generation and analysis of Ion Proton sequencing reads for RNA-Seq.

Science.gov (United States)

Yuan, Yongxian; Xu, Huaiqian; Leung, Ross Ka-Kit

2016-05-26

Previous studies compared running cost, time and other performance measures of popular sequencing platforms. However, comprehensive assessment of library construction and analysis protocols for Proton sequencing platform remains unexplored. Unlike Illumina sequencing platforms, Proton reads are heterogeneous in length and quality. When sequencing data from different platforms are combined, this can result in reads with various read length. Whether the performance of the commonly used software for handling such kind of data is satisfactory is unknown. By using universal human reference RNA as the initial material, RNaseIII and chemical fragmentation methods in library construction showed similar result in gene and junction discovery number and expression level estimated accuracy. In contrast, sequencing quality, read length and the choice of software affected mapping rate to a much larger extent. Unspliced aligner TMAP attained the highest mapping rate (97.27 % to genome, 86.46 % to transcriptome), though 47.83 % of mapped reads were clipped. Long reads could paradoxically reduce mapping in junctions. With reference annotation guide, the mapping rate of TopHat2 significantly increased from 75.79 to 92.09 %, especially for long (>150 bp) reads. Sailfish, a k-mer based gene expression quantifier attained highly consistent results with that of TaqMan array and highest sensitivity. We provided for the first time, the reference statistics of library preparation methods, gene detection and quantification and junction discovery for RNA-Seq by the Ion Proton platform. Chemical fragmentation performed equally well with the enzyme-based one. The optimal Ion Proton sequencing options and analysis software have been evaluated.

Ion Prostate Irradiation (IPI) – a pilot study to establish the safety and feasibility of primary hypofractionated irradiation of the prostate with protons and carbon ions in a raster scan technique

International Nuclear Information System (INIS)

Habl, Gregor; Herfarth, Klaus; Hatiboglu, Gencay; Edler, Lutz; Uhl, Matthias; Krause, Sonja; Roethke, Matthias; Schlemmer, Heinz P; Hadaschik, Boris; Debus, Juergen

2014-01-01

Due to physical characteristics, ions like protons or carbon ions can administer the dose to the target volume more efficiently than photons since the dose can be lowered at the surrounding normal tissue. Radiation biological considerations are based on the assumption that the α/β value for prostate cancer cells is 1.5 Gy, so that a biologically more effective dose could be administered due to hypofractionation without increasing risks of late effects of bladder (α/β = 4.0) and rectum (α/β = 3.9). The IPI study is a prospective randomized phase II study exploring the safety and feasibility of primary hypofractionated irradiation of the prostate with protons and carbon ions in a raster scan technique. The study is designed to enroll 92 patients with localized prostate cancer. Primary aim is the assessment of the safety and feasibility of the study treatment on the basis of incidence grade III and IV NCI-CTC-AE (v. 4.02) toxicity and/or the dropout of the patient from the planned therapy due to any reason. Secondary endpoints are PSA-progression free survival (PSA-PFS), overall survival (OS) and quality-of-life (QoL). This pilot study aims at the evaluation of the safety and feasibility of hypofractionated irradiation of the prostate with protons and carbon ions in prostate cancer patients in an active beam technique. Additionally, the safety results will be compared with Japanese results recently published for carbon ion irradiation. Due to the missing data of protons in this hypofractionated scheme, an in depth evaluation of the toxicity will be created to gain basic data for a following comparison study with carbon ion irradiation. Clinical Trial Identifier: http://clinicaltrials.gov/show/NCT01641185 (clinicaltrials.gov)

Proton-Proton and Proton-Antiproton Colliders

CERN Document Server

Scandale, Walter

2014-01-01

In the last five decades, proton–proton and proton–antiproton colliders have been the most powerful tools for high energy physics investigations. They have also deeply catalyzed innovation in accelerator physics and technology. Among the large number of proposed colliders, only four have really succeeded in becoming operational: the ISR, the SppbarS, the Tevatron and the LHC. Another hadron collider, RHIC, originally conceived for ion–ion collisions, has also been operated part-time with polarized protons. Although a vast literature documenting them is available, this paper is intended to provide a quick synthesis of their main features and key performance.

Radiobiological effects of heavy ions and protons. [on cells of mammals, bacteria and viruses

Science.gov (United States)

Ryzhov, N. I.; Vorozhtsova, S. V.; Krasavin, Y. A.; Mashinskaya, T. Y.; Savchenko, N. Y.; Fedorov, B. S.; Khlaponina, V. F.; Shelegedin, V. N.; Gut, L.; Sabo, L.

1974-01-01

Radiobiological effects of heavy ions and protons are studied on cells of mammals, bacteria, viruses and DNA of bacteria. Results show that the dose effect dependence bears an exponential character; the reduction of RBE as LET of particle increases reflects the different character of microdistribution of absorbed energy in biological objects with different levels of biological organization.

Evaluation of beam delivery and ripple filter design for non-isocentric proton and carbon ion therapy.

Science.gov (United States)

Grevillot, L; Stock, M; Vatnitsky, S

2015-10-21

This study aims at selecting and evaluating a ripple filter design compatible with non-isocentric proton and carbon ion scanning beam treatment delivery for a compact nozzle. The use of non-isocentric treatments when the patient is shifted as close as possible towards the nozzle exit allows for a reduction in the air gap and thus an improvement in the quality of scanning proton beam treatment delivery. Reducing the air gap is less important for scanning carbon ions, but ripple filters are still necessary for scanning carbon ion beams to reduce the number of energy steps required to deliver homogeneous SOBP. The proper selection of ripple filters also allows a reduction in the possible transverse and depth-dose inhomogeneities that could appear in non-isocentric conditions in particular. A thorough review of existing ripple filter designs over the past 16 years is performed and a design for non-isocentric treatment delivery is presented. A unique ripple filter quality index (QIRiFi) independent of the particle type and energy and representative of the ratio between energy modulation and induced scattering is proposed. The Bragg peak width evaluated at the 80% dose level (BPW80) is proposed to relate the energy modulation of the delivered Bragg peaks and the energy layer step size allowing the production of homogeneous SOBP. Gate/Geant4 Monte Carlo simulations have been validated for carbon ion and ripple filter simulations based on measurements performed at CNAO and subsequently used for a detailed analysis of the proposed ripple filter design. A combination of two ripple filters in a series has been validated for non-isocentric delivery and did not show significant transverse and depth-dose inhomogeneities. Non-isocentric conditions allow a significant reduction in the spot size at the patient entrance (up to 350% and 200% for protons and carbon ions with range shifter, respectively), and therefore in the lateral penumbra in the patients.

A selected ion flow tube study of the ion molecule association reactions of protonated (MH+), nitrosonated (MNO+) and dehydroxidated (M-OH)(+) carboxylic acids (M) with H2O

Czech Academy of Sciences Publication Activity Database

Brůhová Michalčíková, R.; Španěl, Patrik

2014-01-01

Roč. 368, JUL 2014 (2014), s. 15-22 ISSN 1387-3806 R&D Projects: GA ČR GA13-28882S Institutional support: RVO:61388955 Keywords : ion molecule reactions * proton transfer * selected ion flow tube mass spectrometry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.972, year: 2014

Mean excitation energies for molecular ions

DEFF Research Database (Denmark)

Jensen, Phillip W.K.; Sauer, Stephan P.A.; Oddershede, Jens

2017-01-01

The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase...

Proton Transfer in Nucleobases is Mediated by Water

Energy Technology Data Exchange (ETDEWEB)

Khistyaev, Kirill; Golan, Amir; Bravaya, Ksenia B.; Orms, Natalie; Krylov, Anna I.; Ahmed, Musahid

2013-08-08

Water plays a central role in chemistry and biology by mediating the interactions between molecules, altering energy levels of solvated species, modifying potential energy proles along reaction coordinates, and facilitating ecient proton transport through ion channels and interfaces. This study investigates proton transfer in a model system comprising dry and microhydrated clusters of nucleobases. With mass spectrometry and tunable vacuum ultraviolet synchrotron radiation, we show that water shuts down ionization-induced proton transfer between nucleobases, which is very ecient in dry clusters. Instead, a new pathway opens up in which protonated nucleo bases are generated by proton transfer from the ionized water molecule and elimination of a hydroxyl radical. Electronic structure calculations reveal that the shape of the potential energy prole along the proton transfer coordinate depends strongly on the character of the molecular orbital from which the electron is removed, i.e., the proton transfer from water to nucleobases is barrierless when an ionized state localized on water is accessed. The computed energetics of proton transfer is in excellent agreement with the experimental appearance energies. Possible adiabatic passage on the ground electronic state of the ionized system, while energetically accessible at lower energies, is not ecient. Thus, proton transfer is controlled electronically, by the character of the ionized state, rather than statistically, by simple energy considerations.

Determination of molecular-ion structures through the use of accelerated beams

International Nuclear Information System (INIS)

Gemmell, D.S.

1987-01-01

In this talk we report on recent research on molecular-ion structures using fast molecular-ion beams provided by Argonne's 5-MV Dynamitron accelerator. The method has become known as the ''Coulomb-explosion'' technique. When molecular-ion projectiles travelling at velocities of a few percent of the velocity of light strike a foil, the electrons that bind the molecular projectiles are almost always totally stripped off within the first few Angstroms of penetration into the solid target. This leaves a cluster of bare (or nearly bare) nuclei which separate rapidly as a result of their mutual Coulomb repulsion. This violent dissociation process in which the initial electrostatic potential energy is converted into kinetic energy of relative motion in the center-of-mass, has been termed a ''Coulomb explosion.'' 4 refs., 2 figs

Protonated ions as systemic trapping agents for noble gases: From electronic structure to radiative association.

Science.gov (United States)

Ozgurel, O; Pauzat, F; Pilmé, J; Ellinger, Y; Bacchus-Montabonel, M-C; Mousis, O

2017-10-07

The deficiencies of argon, krypton, and xenon observed in the atmosphere of Titan as well as anticipated in some comets might be related to a scenario of sequestration by H 3 + in the gas phase at the early evolution of the solar nebula. The chemical process implied is a radiative association, evaluated as rather efficient in the case of H 3 + , especially for krypton and xenon. This mechanism of chemical trapping might not be limited to H 3 + only, considering that the protonated ions produced in the destruction of H 3 + by its main competitors present in the primitive nebula, i.e., H 2 O, CO, and N 2 , might also give stable complexes with the noble gases. However the effective efficiency of such processes is still to be proven. Here, the reactivity of the noble gases Ar, Kr, and Xe, with all protonated ions issued from H 2 O, CO, and N 2 , expected to be present in the nebula with reasonably high abundances, has been studied with quantum simulation method dynamics included. All of them give stable complexes and the rate coefficients of their radiative associations range from 10 -16 to 10 -19 cm 3 s -1 , which is reasonable for such reactions and has to be compared to the rates of 10 -16 to 10 -18 cm 3 s -1 , obtained with H 3 + . We can consider this process as universal for all protonated ions which, if present in the primitive nebula as astrophysical models predict, should act as sequestration agents for all three noble gases with increasing efficiency from Ar to Xe.

Resonant Ion Pair Formation in Electron Collisions with Ground State Molecular Ions

International Nuclear Information System (INIS)

Zong, W.; Dunn, G.H.; Djuric, N.; Greene, C.H.; Neau, A.; Zong, W.; Larsson, M.; Al-Khalili, A.; Neau, A.; Derkatch, A.M.; Vikor, L.; Shi, W.; Rosen, S.; Le Padellec, A.; Danared, H.; Ugglas, M. af

1999-01-01

Resonant ion pair formation from collisions of electrons with ground state diatomic molecular ions has been observed and absolute cross sections measured. The cross section for HD + is characterized by an abrupt threshold at 1.9thinspthinspeV and 14 resolved peaks in the range of energies 0≤E≤14 eV . The dominant mechanism responsible for the structures appears to be resonant capture and stabilization, modified by two-channel quantum interference. Data on HF + show structure correlated with photoionization of HF and with dissociative recombination of electrons with this ion. copyright 1999 The American Physical Society

Electron impact study of molecular ions of some benzyl derivatives

International Nuclear Information System (INIS)

Selim, E.T.; Rabia, M.A.; Fahmy, M.A.

1992-01-01

The ionization energies at threshold and values of higher energy levels for the molecular ions of benzyl alcohol, benzyl amine and benzyl cyanide are reported using electron impact technique. The first ionization energy values are found to be 8.26 eV (benzyl alcohol), 8.49 eV(benzyl amine)and 9.32 eV (benzyl cyanide). Some of the reported higher energy levels for the molecular ions are tentatively explained. The differences in the relative abundances for the main fragment ions are discussed and attributed to the effect of the different substituents - OH, -NH2 and -CN groups

The formation and reactivity of the μ+ molecular ion NeMu+

International Nuclear Information System (INIS)

Fleming, D.G.; Mikula, R.J.; Senba, M.; Garner, D.M.; Arseneau, D.J.

1983-06-01

Evidence for the formation and reactivity of the positive muon molecular ion NeMu + at room temperature in a low pressure Ne moderator to which trace amounts of Xe, CH 4 , NH 3 or He have been added, is reported. A two component relaxation of the diamagnetic muon spin rotation (μSR) signal is seen upon the addition of trace amounts of Xe to Ne; a fast relaxing component with bimolecular rate constant (3.6+-0.6) x 10 -10 cc atom -1 s -1 is thought to be due to thermal muonium formation in a charge exchange process while the other slow relaxing component is attributed to a muon transfer reaction, as in proton transfer studies. With CH 4 or NH 3 added to Ne there is, at most, only a very slow relaxation seen, even though thermal muonium formation is expected, in analogy with Xe. These latter results may be due to very fast, possibly tunneling-assisted, muon transfer reactions, the first time that such processes have been at all characterized

SU-F-T-666: Molecular-Targeted Gold Nanorods Enhances the RBE of Proton Therapy

Energy Technology Data Exchange (ETDEWEB)

Khoo, A; Sahoo, N; Krishnan, S; Diagaradjane, P [UT MD Anderson Cancer Center, Houston, TX (United States)

2016-06-15

Purpose: In recent years, proton beam radiation therapy (PBRT) has gained significant attention in the treatment of tumors in anatomically complex locations. However, the therapeutic benefit of PBRT is limited by a relative biological effectiveness (RBE) of just 1.1. The purpose of this study is to evaluate whether this limitation can be overcome by artificially enhancing the RBE using molecular-targeted gold nanorods (GNRs). Methods: Molecular-targeting of GNRs was accomplished using Cetuximab (antibody specific to epidermal growth factor receptor that is over-expressed in tumors) conjugated GNRs (cGNRs) and their binding affinity to Head and Neck cancer cells was confirmed using dark field microscopy and Transmission Electron Microscopy (TEM). The radiosensitization potential of cGNRs when irradiated with photon (6MV) and proton (100 and 160 MeV) beams was determined using clonogenic assays. The RBE at 10% surviving fraction (RBE{sub 10}) for proton therapies at central and distal locations of SOBP was calculated with respect to 6 MV photons. IgGconjugated GNRs (iGNRs) were used as controls in all experiments. Results: cGNRs demonstrated significant radiosensitization when compared to iGNRs for 6MV photons (1.14 vs 1.04), 100 MeV protons (1.19 vs 1.04), and 160 MeV protons (1.17 vs 1.04). While RBE10 for proton beams at the center of SOBP revealed similar effects for both 100 and 160 MeV (RBE{sup 10}=1.39 vs 1.38; p>0.05), enhanced radiosensitization was observed at the distal SOBP with 100 MeV beams demonstrating greater effect than 160 MeV beams (RBE{sup 10}=1.79 vs 1.6; p<0.05). Conclusion: EGFR-targeting GNRs significantly enhance the RBE of protons well above the accepted 1.1 value. The enhanced RBE observed for lower energy protons (100 MeV) and at the distal SOBP suggests that low energy components may play a role in the observed radiosensitization effect. This strategy holds promise for clinical translation and could evolve as a paradigm-changing approach

Optimal conditions for high current proton irradiations at the university of Wisconsin's ion beam laboratory

International Nuclear Information System (INIS)

Wetteland, C. J.; Field, K. G.; Gerczak, T. J.; Eiden, T. J.; Maier, B. R.; Albakri, O.; Sridharan, K.; Allen, T. R.

2013-01-01

The National Electrostatics Corporation's (NEC) Toroidal Volume Ion Source (TORVIS) source is known for exceptionally high proton currents with minimal service downtime as compared to traditional sputter sources. It has been possible to obtain over 150μA of proton current from the source, with over 70μA on the target stage. However, beam fluxes above ∼1×10 17 /m2-s may have many undesirable effects, especially for insulators. This may include high temperature gradients at the surface, sputtering, surface discharge, cracking or even disintegration of the sample. A series of experiments were conducted to examine the role of high current fluxes in a suite of ceramics and insulating materials. Results will show the optimal proton irradiation conditions and target mounting strategies needed to minimize unwanted macro-scale damage, while developing a procedure for conducting preliminary radiation experiments.

Molecular effects in ion-electron emission from clean metal surfaces

International Nuclear Information System (INIS)

Baragiola, R.A.; Alonso, E.V.; Auciello, O.; Ferron, J.; Lantschner, G.; Oliva Florio, A.

1978-01-01

The authors have measured electron emission yields from clean Al, Cu and Ag under 2-50 keV H + , D + , H 2 + impact. It is found that molecular ion yields are lower than twice the yield of atomic ions. No isotope effects are observed for equal-velocity ions. (Auth.)

Ion Colliders

CERN Document Server

Fischer, W

2014-01-01

High-energy ion colliders are large research tools in nuclear physics to study the Quark-Gluon-Plasma (QGP). The range of collision energy and high luminosity are important design and operational considerations. The experiments also expect flexibility with frequent changes in the collision energy, detector fields, and ion species. Ion species range from protons, including polarized protons in RHIC, to heavy nuclei like gold, lead and uranium. Asymmetric collision combinations (e.g. protons against heavy ions) are also essential. For the creation, acceleration, and storage of bright intense ion beams, limits are set by space charge, charge change, and intrabeam scattering effects, as well as beam losses due to a variety of other phenomena. Currently, there are two operating ion colliders, the Relativistic Heavy Ion Collider (RHIC) at BNL, and the Large Hadron Collider (LHC) at CERN.

Ion-molecular equilibria and activity determination in the RbF-ZrF4 system

International Nuclear Information System (INIS)

Skokan, E.V.; Nikitin, M.I.; Sorokin, I.D.; Korenev, Yu.M.; Sidorov, L.N.

1983-01-01

Activity of zirconium tetrofluoride in 100-33.3 mol % ZrF 4 concentration range was determined during isothermal evaporation of samples of different initial composition of RbF-ZrF 4 system, using ion-molecular equilibrium method. It became possible, using the exchange ion-molecular reactions to determine ZrF 4 activity approximately 10 -10 in the region of state diagram of RbF-ZrF 4 system, adjoining to rubidium fluoride. The comparative analysis of results, obtained by the methods of isothermal evaporation, ion-molecular equilibria is given; the advantages and restrictions of ion-molecular equilibrium method are presented

Ion-molecular reactions initiated by β-decay of tritium in tritiated compounds

International Nuclear Information System (INIS)

Akulov, G.P.

1976-01-01

Ion-molecular reactions initiated by β-decay of tritium and tritiated hydrocarbons have been systematized. The review describes the theoretical and experimental foundation of the radiochemical method of this important type of chemical interactions investigation. The reactions of the molecular ions of HeT + with methane, ethane, propane, butane and also with cycloalkanes from C 3 to C 6 are discussed. The reactions under consideration have been united into two groups: reactions involving HeT + ions and those involving carbonic ions. From the experimental results available, the conclusions have been drawn about the reactivity of these intermediate formations, about the mechanism of their interaction with organic substances, and also about the perspectives of using the radiochemical method in studies of ion-molecular reactions. The experimental results published before May 1974 are examined. The bibliography includes 162 references

Infrared spectra of small molecular ions trapped in solid neon

Energy Technology Data Exchange (ETDEWEB)

Jacox, Marilyn E. [Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

2015-01-22

The infrared spectrum of a molecular ion provides a unique signature for that species, gives information on its structure, and is amenable to remote sensing. It also serves as a comparison standard for refining ab initio calculations. Experiments in this laboratory trap molecular ions in dilute solid solution in neon at 4.2 K in sufficient concentration for observation of their infrared spectra between 450 and 4000 cm{sup !1}. Discharge-excited neon atoms produce cations by photoionization and/or Penning ionization of the parent molecule. The resulting electrons are captured by other molecules, yielding anions which provide for overall charge neutrality of the deposit. Recent observations of ions produced from C{sub 2}H{sub 4} and BF{sub 3} will be discussed. Because of their relatively large possibility of having low-lying excited electronic states, small, symmetric molecular cations are especially vulnerable to breakdown of the Born-Oppenheimer approximation. Some phenomena which can result from this breakdown will be discussed. Ion-molecule reaction rates are sufficiently high that in some systems absorptions of dimer cations and anions are also observed. When H{sub 2} is introduced into the system, the initially-formed ion may react with it. Among the species resulting from such ion-molecule reactions that have recently been studied are O{sub 4}{sup +}, NH{sub 4}{sup +}, HOCO{sup +}, and HCO{sub 2}{sup !}.

Preparation and coherent manipulation of pure quantum states of a single molecular ion

Science.gov (United States)

Chou, Chin-Wen; Kurz, Christoph; Hume, David B.; Plessow, Philipp N.; Leibrandt, David R.; Leibfried, Dietrich

2017-05-01

Laser cooling and trapping of atoms and atomic ions has led to advances including the observation of exotic phases of matter, the development of precision sensors and state-of-the-art atomic clocks. The same level of control in molecules could also lead to important developments such as controlled chemical reactions and sensitive probes of fundamental theories, but the vibrational and rotational degrees of freedom in molecules pose a challenge for controlling their quantum mechanical states. Here we use quantum-logic spectroscopy, which maps quantum information between two ion species, to prepare and non-destructively detect quantum mechanical states in molecular ions. We develop a general technique for optical pumping and preparation of the molecule into a pure initial state. This enables us to observe high-resolution spectra in a single ion (CaH+) and coherent phenomena such as Rabi flopping and Ramsey fringes. The protocol requires a single, far-off-resonant laser that is not specific to the molecule, so many other molecular ions, including polyatomic species, could be treated using the same methods in the same apparatus by changing the molecular source. Combined with the long interrogation times afforded by ion traps, a broad range of molecular ions could be studied with unprecedented control and precision. Our technique thus represents a critical step towards applications such as precision molecular spectroscopy, stringent tests of fundamental physics, quantum computing and precision control of molecular dynamics.

Ionization Capabilities of Hydronium Ions and High Electric Fields Produced by Atmospheric Pressure Corona Discharge.

Science.gov (United States)

Sato, Natsuhiko; Sekimoto, Kanako; Takayama, Mitsuo

2016-01-01

Atmospheric pressure corona discharge (APCD) was applied to the ionization of volatile organic compounds. The mass spectra of analytes having aromatic, phenolic, anilinic, basic and aliphatic in nature were obtained by using vapor supply and liquid smear supply methods. The vapor supply method mainly gave protonated analytes [A+H] + caused by proton transfer from hydronium ion H 3 O + , except for benzene, toluene and n -hexane that have lower proton affinity. The use of the liquid smear supply method resulted in the formation of molecular ion A ·+ and/or dehydride analyte [A-H] + , according to the nature of analytes used. The formation of A ·+ without fragment ions could be explained by the electron tunneling via high electric fields 10 8  V/m at the tip of the corona needle. The dehydride analytes [A-H] + observed in the mass spectra of n -hexane, di- and tributylamines may be explained by the hydride abstraction from the alkyl chains by the hydronium ion. The hydronium ion can play the two-roles for analytes, i.e. , the proton donor to form [A+H] + and the hydride acceptor to form [A-H] + .

Dissociative recombination of molecular ions H2+

International Nuclear Information System (INIS)

Abarenov, A.V.; Marchenko, V.S.

1989-01-01

The total cross sections of dissociation and dissociative recombination of slow electrons and molecular ions H 2 + have been calculated in terms of the quasiclassical and dipole approximations. In the calculations allowance was made for the quantum nature of vibrational motion of heavy particles and presence of autoionization of divergence states of the H 2 (Σ u , nl) molecules. It is shown that the H 2 + ion dissociation cross sections are dominant in increase of the electron energy in the ε >or approx. 2-3 eV region for H 2 + (v) ion distribution over the vibrational levels characteristic for the beam experiments. 15 refs.; 5 figs

Calibration of a Thomson parabola ion spectrometer and Fujifilm imaging plate detectors for protons, deuterons, and alpha particles.

Science.gov (United States)

Freeman, C G; Fiksel, G; Stoeckl, C; Sinenian, N; Canfield, M J; Graeper, G B; Lombardo, A T; Stillman, C R; Padalino, S J; Mileham, C; Sangster, T C; Frenje, J A

2011-07-01

A Thomson parabola ion spectrometer has been designed for use at the Multiterawatt (MTW) laser facility at the Laboratory for Laser Energetics (LLE) at the University of Rochester. This device uses parallel electric and magnetic fields to deflect particles of a given mass-to-charge ratio onto parabolic curves on the detector plane. Once calibrated, the position of the ions on the detector plane can be used to determine the particle energy. The position dispersion of both the electric and magnetic fields of the Thomson parabola was measured using monoenergetic proton and alpha particle beams from the SUNY Geneseo 1.7 MV tandem Pelletron accelerator. The sensitivity of Fujifilm BAS-TR imaging plates, used as a detector in the Thomson parabola, was also measured as a function of the incident particle energy over the range from 0.6 MeV to 3.4 MeV for protons and deuterons and from 0.9 MeV to 5.4 MeV for alpha particles. The device was used to measure the energy spectrum of laser-produced protons at MTW.

Calibration of a Thomson parabola ion spectrometer and Fujifilm imaging plate detectors for protons, deuterons, and alpha particles

Energy Technology Data Exchange (ETDEWEB)

Freeman, C. G.; Canfield, M. J.; Graeper, G. B.; Lombardo, A. T.; Stillman, C. R.; Padalino, S. J. [Physics Department, SUNY Geneseo, Geneseo, New York 14454 (United States); Fiksel, G.; Stoeckl, C.; Mileham, C.; Sangster, T. C. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States); Sinenian, N.; Frenje, J. A. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

2011-07-15

A Thomson parabola ion spectrometer has been designed for use at the Multiterawatt (MTW) laser facility at the Laboratory for Laser Energetics (LLE) at University of Rochester. This device uses parallel electric and magnetic fields to deflect particles of a given mass-to-charge ratio onto parabolic curves on the detector plane. Once calibrated, the position of the ions on the detector plane can be used to determine the particle energy. The position dispersion of both the electric and magnetic fields of the Thomson parabola was measured using monoenergetic proton and alpha particle beams from the SUNY Geneseo 1.7 MV tandem Pelletron accelerator. The sensitivity of Fujifilm BAS-TR imaging plates, used as a detector in the Thomson parabola, was also measured as a function of the incident particle energy over the range from 0.6 MeV to 3.4 MeV for protons and deuterons and from 0.9 MeV to 5.4 MeV for alpha particles. The device was used to measure the energy spectrum of laser-produced protons at MTW.

Determination of the protonation state of the Asp dyad: conventional molecular dynamics versus thermodynamic integration.

Science.gov (United States)

Huang, Jinfeng; Zhu, Yali; Sun, Bin; Yao, Yuan; Liu, Junjun

2016-03-01

The protonation state of the Asp dyad is important as it can reveal enzymatic mechanisms, and the information this provides can be used in the development of drugs for proteins such as memapsin 2 (BACE-1), HIV-1 protease, and rennin. Conventional molecular dynamics (MD) simulations have been successfully used to determine the preferred protonation state of the Asp dyad. In the present work, we demonstrate that the results obtained from conventional MD simulations can be greatly influenced by the particular force field applied or the values used for control parameters. In principle, free-energy changes between possible protonation states can be used to determine the protonation state. We show that protonation state prediction by the thermodynamic integration (TI) method is insensitive to force field version or to the cutoff for calculating nonbonded interactions (a control parameter). In the present study, the protonation state of the Asp dyad predicted by TI calculations was the same regardless of the force field and cutoff value applied. Contrary to the intuition that conventional MD is more efficient, our results clearly show that the TI method is actually more efficient and more reliable for determining the protonation state of the Asp dyad.

Spectroscopic and TDDFT investigation on highly selective fluorogenic chemosensor and construction of molecular logic gates

Energy Technology Data Exchange (ETDEWEB)

Basheer, Sabeel M [Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015 (India); Kumar, Saravana Loganathan Ashok [Department of Chemistry, GRT Institute of Engineering Technology, Tiruttani (India); Kumar, Moorthy Saravana [Research and PG Department of Chemistry, Saraswathi Narayanan College, Madurai 625022 (India); Sreekanth, Anandaram, E-mail: sreekanth@nitt.edu [Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015 (India)

2017-03-01

1,5-Bis(2-fluorene)thiocarbohydrazone (FBTC) was designed and synthesized for selective sensing of fluoride and copper ions. The binding constants of FBTC towards fluoride and copper ions have been calculated using the Benesi-Hildebrand equation, and FBTC has more binding affinity towards copper ion than fluoride ion. The {sup 1}H NMR and {sup 13}C NMR titration studies strongly support the deprotonation was taken from the N–H protons followed by the formation of hydrogen bond via N–H{sup …}F. To understand the fluoride ion sensing mechanism, theoretical investigation had been carried out using the density functional theory and time-dependent density functional theory. The theoretical data well reproduced the experimental results. The deprotonation process has a moderate transition barrier (481.55 kcal/mol). The calculated ΔE and ΔG values (− 253.92 and − 192.41 kcal/mol respectively) suggest the feasibility of sensing process. The potential energy curves give the optimized structures of FBTC-F complex in the ground state and excited state, which states the proton transition occurs at the excited state. The excited state proton transition mechanism was further confirmed with natural bond orbital analysis. The reversibility of the sensor was monitored by the alternate addition of F{sup −} and Cu{sup 2+} ions, which was explained with “Read-Erase-Write-Read” behaviour. The multi-ion detection of sensor used to construct the molecular logic gate, such as AND, OR, NOR and INHIBITION logic gates. - Highlight: • Synthesis and characterised the thiosemicarbohydrazone derivative • Experimental evolution of selective fluoride and copper sensing via both colorimetric and spectroscopic studies • The proposed sensing mechanism of fluoride and copper ion were further confirmed with DFT and TD-DFT investigation • Receptor was turned as molecular switches and molecular logic gates.

The Acceleration of Thermal Protons and Minor Ions at a Quasi-Parallel Interplanetary Shock

Science.gov (United States)

Giacalone, J.; Lario, D.; Lepri, S. T.

2017-12-01

We compare the results from self-consistent hybrid simulations (kinetic ions, massless fluid electrons) and spacecraft observations of a strong, quasi-parallel interplanetary shock that crossed the Advanced Composition Explorer (ACE) on DOY 94, 2001. In our simulations, the un-shocked plasma-frame ion distributions are Maxwellian. Our simulations include protons and minor ions (alphas, 3He++, and C5+). The interplanetary shock crossed both the ACE and the Wind spacecraft, and was associated with significant increases in the flux of > 50 keV/nuc ions. Our simulation uses parameters (ion densities, magnetic field strength, Mach number, etc.) consistent with those observed. Acceleration of the ions by the shock, in a manner similar to that expected from diffusive shock acceleration theory, leads to a high-energy tail in the distribution of the post-shock plasma for all ions we considered. The simulated distributions are directly compared to those observed by ACE/SWICS, EPAM, and ULEIS, and Wind/STICS and 3DP, covering the energy range from below the thermal peak to the suprathermal tail. We conclude from our study that the solar wind is the most significant source of the high-energy ions for this event. Our results have important implications for the physics of the so-called `injection problem', which will be discussed.

Beam-loss induced pressure rise of Large Hadron Collider collimator materials irradiated with 158  GeV/u In^{49+} ions at the CERN Super Proton Synchrotron

Directory of Open Access Journals (Sweden)

E. Mahner

2004-10-01

Full Text Available During heavy ion operation, large pressure rises, up to a few orders of magnitude, were observed at CERN, GSI, and BNL. The dynamic pressure rises were triggered by lost beam ions that impacted onto the vacuum chamber walls and desorbed about 10^{4} to 10^{7} molecules per ion. The deterioration of the dynamic vacuum conditions can enhance charge-exchange beam losses and can lead to beam instabilities or even to beam abortion triggered by vacuum interlocks. Consequently, a dedicated measurement of heavy-ion induced molecular desorption in the GeV/u energy range is important for Large Hadron Collider (LHC ion operation. In 2003, a desorption experiment was installed at the Super Proton Synchrotron to measure the beam-loss induced pressure rise of potential LHC collimator materials. Samples of bare graphite, sputter coated (Cu, TiZrV graphite, and 316 LN (low carbon with nitrogen stainless steel were irradiated under grazing angle with 158  GeV/u indium ions. After a description of the new experimental setup, the results of the pressure rise measurements are presented, and the derived desorption yields are compared with data from other experiments.

Ejection dynamics of hydrogen molecular ions from methanol in intense laser fields

International Nuclear Information System (INIS)

Okino, T; Furukawa, Y; Liu, P; Ichikawa, T; Itakura, R; Hoshina, K; Yamanouchi, K; Nakano, H

2006-01-01

The ejection of hydrogen molecular ions from two-body Coulomb explosion processes of methanol (CH 3 OH, CD 3 OH and CH 3 OD) in an intense laser field (800 nm, 60 fs, 0.2 PW cm -2 ) is investigated by a coincidence momentum imaging method. From the coincidence momentum maps, the ejection processes of hydrogen molecular ions, CH 3 OH 2+ → H m + + CH (3-m) OH + (m = 2, 3), CD 3 OH 2+ → D m + + CH (3-m) OH + (m = 2, 3) and CH 3 OD 2+ → H m + + CH (3-m) OD + (m = 2, 3), are identified. Based on the results obtained with isotopically substituted methanol, the isotope effect on the ejection process of hydrogen molecular ions is discussed. Furthermore, the ejection of H/D exchanged hydrogen molecular ions (HD + , HD 2 + and H 2 D + ) is identified, and the timescales for the H/D exchanging processes are estimated from the extent of anisotropy in the ejection directions

Proton concentrations can be a major contributor to the modification of osteoclast and osteoblast differentiation, working independently of extracellular bicarbonate ions.

Science.gov (United States)

Kato, Kohtaro; Matsushita, Misao

2014-01-01

We established a system to separately analyze the role of protons and bicarbonate ions in vitro in which the pH of the medium was controlled by HEPES at various concentrations of sodium bicarbonate (NaHCO3) in the absence of carbon dioxide (CO2). Using this system, we demonstrated that acidosis promoted osteoclast formation independently of extracellular NaHCO3 in a short-term culture. Protons and bicarbonate ions acted on osteoclast differentiation with opposite effects, the former positively and the latter negatively. The HEPES-based system maintained pH in the absence of extracellular NaHCO3 without CO2. Therefore, we could demonstrate that osteoblast differentiation was promoted at higher pH in a long-term culture system without NaHCO3 in which ALP activity and nodule mineralization were enhanced. This finding indicates that protons negatively control osteoblast differentiation independently of extracellular bicarbonate ions. However, the difference in the concentration of NaHCO3 did not have any influence on nodule mineralization. The opposite effects of protons, the promotion of osteoclast formation and the inhibition of osteoblast differentiation, were suppressed in the presence of 5 mM N-acetyl cysteine, a reagent activating the scavenging of reactive oxygen species (ROS), implying that ROS act on both systems, the promotion of large osteoclast formation and the deterioration of osteoblast formation under acidosis.

MeV and GeV prospects for producing a large ion layer configuration for fusion power generation and breeding

International Nuclear Information System (INIS)

McNally, J.R. Jr.

1983-01-01

Injection of multi-MeV molecular hydrogen ions into a magnetic mirror or magnetic mirror well can lead to the production of an ion (or proton-E) Layer with prospects for fusion power generation. This involves: (1) slow (exponential or Lorentz) trapping of protons from dissociation and/or ionization of H 2 + ions; (2) electron cyclotron drive of the electronic temperature to reduce the electron stopping power; (3) production of an Ion-Layer, E-Core plasma configuration having prospects for cold fuel feed with in situ axial acceleration of say D 2 + ions into the negative E-Core; (4) ignited advanced fuel burns in the resulting high beta plasma with excess (free) neutrons available for energy multiplication of fissile fuel breeding; (5) development of a nuclear dynamo with fuel feed, plasma energy, and Ion-Layer current maintenance by fusion products; and (6) a natural divertor end loss of ashes with charge separation permitting a natural direct electrical conversion prospect

Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis.

Science.gov (United States)

Zhou, Yufan; Yao, Juan; Ding, Yuanzhao; Yu, Jiachao; Hua, Xin; Evans, James E; Yu, Xiaofei; Lao, David B; Heldebrant, David J; Nune, Satish K; Cao, Bin; Bowden, Mark E; Yu, Xiao-Ying; Wang, Xue-Lin; Zhu, Zihua

2016-12-01

In situ liquid secondary ion mass spectrometry (SIMS) enabled by system for analysis at the liquid vacuum interface (SALVI) has proven to be a promising new tool to provide molecular information at solid-liquid and liquid-vacuum interfaces. However, the initial data showed that useful signals in positive ion spectra are too weak to be meaningful in most cases. In addition, it is difficult to obtain strong negative molecular ion signals when m/z>200. These two drawbacks have been the biggest obstacle towards practical use of this new analytical approach. In this study, we report that strong and reliable positive and negative molecular signals are achievable after optimizing the SIMS experimental conditions. Four model systems, including a 1,8-diazabicycloundec-7-ene (DBU)-base switchable ionic liquid, a live Shewanella oneidensis biofilm, a hydrated mammalian epithelia cell, and an electrolyte popularly used in Li ion batteries were studied. A signal enhancement of about two orders of magnitude was obtained in comparison with non-optimized conditions. Therefore, molecular ion signal intensity has become very acceptable for use of in situ liquid SIMS to study solid-liquid and liquid-vacuum interfaces. Graphical Abstract ᅟ.

The molecular dynamics simulation of ion-induced ripple growth

International Nuclear Information System (INIS)

Suele, P.; Heinig, K.-H.

2009-01-01

The wavelength-dependence of ion-sputtering induced growth of repetitive nanostructures, such as ripples has been studied by molecular dynamics (MD) simulations in Si. The early stage of the ion erosion driven development of ripples has been simulated on prepatterned Si stripes with a wavy surface. The time evolution of the height function and amplitude of the sinusoidal surface profile has been followed by simulated ion-sputtering. According to Bradley-Harper (BH) theory, we expect correlation between the wavelength of ripples and the stability of them. However, we find that in the small ripple wavelength (λ) regime BH theory fails to reproduce the results obtained by molecular dynamics. We find that at short wavelengths (λ 35 nm is stabilized in accordance with the available experimental results. According to the simulations, few hundreds of ion impacts in λ long and few nanometers wide Si ripples are sufficient for reaching saturation in surface growth for for λ>35 nm ripples. In another words, ripples in the long wavelength limit seems to be stable against ion-sputtering. A qualitative comparison of our simulation results with recent experimental data on nanopatterning under irradiation is attempted.

Apparatus for proton radiography

International Nuclear Information System (INIS)

Martin, R.L.

1976-01-01

An apparatus for effecting diagnostic proton radiography of patients in hospitals comprises a source of negative hydrogen ions, a synchrotron for accelerating the negative hydrogen ions to a predetermined energy, a plurality of stations for stripping extraction of a radiography beam of protons, means for sweeping the extracted beam to cover a target, and means for measuring the residual range, residual energy, or percentage transmission of protons that pass through the target. The combination of information identifying the position of the beam with information about particles traversing the subject and the back absorber is performed with the aid of a computer to provide a proton radiograph of the subject. In an alternate embodiment of the invention, a back absorber comprises a plurality of scintillators which are coupled to detectors. 10 claims, 7 drawing figures

Developments in the design of proton and ion accelerators for medical use

CERN Document Server

Bryant, P J

1998-01-01

Accelerators and medicine have been close companions since cyclotrons first made biological studies with particle beams possible in the 1930s. Later improvements, such as H-minus (H-) extraction, made cyclotrons the foremost, commercially-available producer of medical isotopes. Although the world's first hospital-based proton treatment centre, Loma Linda, uses a synchrotron, the cyclotron is now al so establishing a dominance in proton centres using passive beam spreading. However, two trends indicate a slightly different direction. The first is towards light ions and the second is towards 'penc il' beam scanning with active energy control. Together, these point to a new generation of synchrotrons with slow-beam-extraction systems that allow time for on-line dosimetry and provide very smooth spills. There are several variants for the slow extraction including the use of a betatron core and rf knockout. There are also methods for improving the spill quality such as rf channelling buckets a nd rf noise. The use...

Fragment formation in GeV-energy proton and light heavy-ion induced reactions

International Nuclear Information System (INIS)

Murakami, T.; Haga, M.; Haseno, M.

2002-01-01

We have investigated similarities and differences among the fragment formation processes in GeV-energy light-ion and light heavy-ion induced reactions. We have newly measured inclusive and exclusive energy spectra of intermediate mass fragments (3 ≤ Z ≤ 30; IMFs) for 8-GeV 16 O and 20 Ne and 12-GeV 20 Ne induced target multifragmentations (TMFs) in order to compare them with those previously measured for 8- and 12-GeV proton induced TMFs. We fond noticeable difference in their spectrum shapes and magnitudes but all of them clearly indicate the existence of sideward-peaked components, indicating fragment formations are mainly dictated not by a incident energy per nucleon but by a total energy of the projectile. (author)

Beam pinging, sweeping, shaking, and electron/ion collecting, at the Proton Storage Ring

International Nuclear Information System (INIS)

Hardek, T.W.; Macek, R.J.; Plum, M.A.; Wang, T.S.F.

1993-01-01

We have built, installed and tested a pinger for use as a general diagnostic at the Los Alamos Proton Storage Ring (PSR). Two 4-m-long parallel-plate electrodes with a plate spacing of 10.2 cm provide kicks of up to 1.1 mrad. A pair of solid-state pulsers may be operated in a single-pulse mode for beam pinging (tune measurements) or in a burst mode at up to 700 kHz pulse rates for beam sweeping. During our 1992 operating period we used the pinger for beam sweeping, for beam shaking, for measuring the tune shift, and we have used it as an ion chamber. Using the pinger as an ion chamber during production conditions has yielded some surprising results

Simulations of Proton Implantation in Silicon Carbide (SiC)

Science.gov (United States)

2016-03-31

Simulations of Proton Implantation in Silicon Carbide (SiC) Jonathan P. McCandless, Hailong Chen, Philip X.-L. Feng Electrical Engineering, Case...of implanting protons (hydrogen ions, H+) into SiC thin layers on silicon (Si) substrate, and explore the ion implantation conditions that are...relevant to experimental radiation of SiC layers. Keywords: silicon carbide (SiC); radiation effects; ion implantation ; proton; stopping and range of

Brain Injury After Proton Therapy or Carbon Ion Therapy for Head-and-Neck Cancer and Skull Base Tumors

International Nuclear Information System (INIS)

Miyawaki, Daisuke; Murakami, Masao; Demizu, Yusuke; Sasaki, Ryohei; Niwa, Yasue; Terashima, Kazuki; Nishimura, Hideki; Hishikawa, Yoshio; Sugimura, Kazuro

2009-01-01

Purpose: To assess the incidence of early delayed or late morbidity of Brain after particle therapy for skull base tumors and head-and-neck cancers. Methods and Materials: Between May 2001 and December 2005, 59 patients with cancerous invasion of the skull base were treated with proton or carbon ion therapy at the Hyogo Ion Beam Medical Center. Adverse events were assessed according to the magnetic resonance imaging findings (late effects of normal tissue-subjective, objective, management, analytic [LENT-SOMA]) and symptoms (Common Terminology Criteria for Adverse Events [CTCAE], version 3.0). Dose-volume histograms were used to analyze the relationship between the dose and volume of the irradiated brain and the occurrence of brain injury. The median follow-up time was 33 months. Results: Of the 48 patients treated with proton therapy and 11 patients treated with carbon ion radiotherapy, 8 (17%) and 7 (64%), respectively, developed radiation-induced brain changes (RIBCs) on magnetic resonance imaging (LENT-SOMA Grade 1-3). Four patients (7%) had some clinical symptoms, such as vertigo and headache (CTCAE Grade 2) or epilepsy (CTCAE Grade 3). The actuarial occurrence rate of RIBCs at 2 and 3 years was 20% and 39%, respectively, with a significant difference in the incidence between the proton and carbon ion radiotherapy groups. The dose-volume histogram analyses revealed significant differences between Brain lobes with and without RIBCs in the actuarial volume of brain lobes receiving high doses. Conclusion: Particle therapies produced minimal symptomatic brain toxicities, but sequential evaluation with magnetic resonance imaging detected a greater incidence of RIBCs. Significant differences were observed in the irradiated brain volume between Brain lobes with and without RIBCs.

Review of stopping power and Coulomb explosion for molecular ion in plasmas

Directory of Open Access Journals (Sweden)

Guiqiu Wang

2018-03-01

Full Text Available We summarize our theoretical studies for stopping power of energetic heavy ion, diatomic molecular ions and small clusters penetrating through plasmas. As a relevant research field for the heavy ion inertial confinement fusion (HICF, we lay the emphasis on the dynamic polarization and correlation effects of the constituent ion within the molecular ion and cluster for stopping power in order to disclose the role of the vicinage effect on the Coulomb explosion and energy deposition of molecules and clusters in plasma. On the other hand, as a promising scheme for ICF, both a strong laser field and an intense ion beam are used to irradiate a plasma target. So the influence of a strong laser field on stopping power is significant. We discussed a large range of laser and plasma parameters on the coulomb explosion and stopping power for correlated-ion cluster and C60 cluster. Furthermore, in order to indicate the effects of different cluster types and sizes on the stopping power, a comparison is made for hydrogen and carbon clusters. In addition, the deflection of molecular axis for diatomic molecules during the Coulomb explosion is also given for the cases both in the presence of a laser field and laser free. Finally, a future experimental scheme is put forward to measure molecular ion stopping power in plasmas in Xi'an Jiaotong University of China. Keywords: Molecules, Stopping power, Coulomb explosion, Vicinage effect, Laser, PACS Codes: 34.50.Bw, 52.40.Mj, 61.85.+p, 34.50.Dy

Development of superconducting crossbar-H-mode cavities for proton and ion accelerators

Directory of Open Access Journals (Sweden)

F. Dziuba

2010-04-01

Full Text Available The crossbar-H-mode (CH structure is the first superconducting multicell drift tube cavity for the low and medium energy range operated in the H_{21} mode. Because of the large energy gain per cavity, which leads to high real estate gradients, it is an excellent candidate for the efficient acceleration in high power proton and ion accelerators with fixed velocity profile. A prototype cavity has been developed and tested successfully with a gradient of 7  MV/m. A few new superconducting CH cavities with improved geometries for different high power applications are under development at present. One cavity (f=325  MHz, β=0.16, seven cells is currently under construction and studied with respect to a possible upgrade option for the GSI UNILAC. Another cavity (f=217  MHz, β=0.059, 15 cells is designed for a cw operated energy variable heavy ion linac application. Furthermore, the EUROTRANS project (European research program for the transmutation of high level nuclear waste in an accelerator driven system, 600 MeV protons, 352 MHz is one of many possible applications for this kind of superconducting rf cavity. In this context a layout of the 17 MeV EUROTRANS injector containing four superconducting CH cavities was proposed by the Institute for Applied Physics (IAP Frankfurt. The status of the cavity development related to the EUROTRANS injector is presented.

Study of the interaction of multiply charged ions and complex systems of biological interest: effects of the molecular environment

International Nuclear Information System (INIS)

Capron, Michael

2011-01-01

This PhD thesis describes the experimental study of the interaction between slow multiply charged ions (tens of keV) and molecular systems of biological interest (amino acids and nucleobases). It is the aim to identify and to better understand the effect of a molecular environment on different collision induced phenomena. To do so, the time of flight spectra of cationic products emerging from collisions with isolated molecules as well as clusters are compared. It is shown that the molecular environment protects the molecule as it allows to distribute the transferred energies and charges over the whole system (global decrease of the fragmentation and quenching of some fragmentation channels). Furthermore, in the case of adenine clusters, the molecular environment weakens some intramolecular bonds. Moreover, products of chemical reactions are observed concerning proton transfer processes in hydrated cluster of adenine and the formation of peptides bonds between beta-alanine molecules in a cluster. The latter finding is studied as a function of the cluster size and type of the projectile. Some criteria for peptide bond formation, such as flexibility and geometry of the molecule, are investigated for different amino acids. (author)

He2+ molecular ion and the He- atomic ion in strong magnetic fields

Science.gov (United States)

Vieyra, J. C. Lopez; Turbiner, A. V.

2017-08-01

We study the question of existence, i.e., stability with respect to dissociation of the spin-quartet permutation- and reflection-symmetric 4(-3) +g (Sz=-3 /2 ,M =-3 ) state of the (α α e e e ) Coulomb system: the He2 + molecular ion, placed in a magnetic field 0 ≤B ≤10 000 a.u. We assume that the α particles are infinitely massive (Born-Oppenheimer approximation of zero order) and adopt the parallel configuration, when the molecular axis and the magnetic field direction coincide, as the optimal configuration. The study of the stability is performed variationally with a physically adequate trial function. To achieve this goal, we explore several helium-containing compounds in strong magnetic fields, in particular; we study the spin-quartet ground state of the He- ion and the ground (spin-triplet) state of the helium atom, both for a magnetic field in 100 ≤B ≤10 000 a.u. The main result is that the He2 + molecular ion in the state 4(-3) +g is stable towards all possible decay modes for magnetic fields B ≳120 a .u . and with the magnetic field increase the ion becomes more tightly bound and compact with a cigar-type form of electronic cloud. At B =1000 a .u . , the dissociation energy of He2 + into He-+α is ˜702 eV and the dissociation energy for the decay channel to He +α +e is ˜729 eV , and both energies are in the energy window for one of the observed absorption features of the isolated neutron star 1E1207.4-5209.

A molecular-gap device for specific determination of mercury ions

Science.gov (United States)

Guo, Zheng; Liu, Zhong-Gang; Yao, Xian-Zhi; Zhang, Kai-Sheng; Chen, Xing; Liu, Jin-Huai; Huang, Xing-Jiu

2013-11-01

Specific determination/monitoring of trace mercury ions (Hg2+) in environmental water is of significant importance for drinking safety. Complementarily to conventional inductively coupled plasma mass spectrometry and atomic emission/absorption spectroscopy, several methods, i.e., electrochemical, fluorescent, colorimetric, and surface enhanced Raman scattering approaches, have been developed recently. Despite great success, many inevitably encounter the interferences from other metal ions besides the complicated procedures and sophisticated equipments. Here we present a molecular-gap device for specific determination of trace Hg2+ in both standardized solutions and environmental samples based on conductivity-modulated glutathione dimer. Through a self-assembling technique, a thin film of glutathione monolayer capped Au nanoparticles is introduced into 2.5 μm-gap-electrodes, forming numerous double molecular layer gaps. Notably, the fabricated molecular-gap device shows a specific response toward Hg2+ with a low detection limit actually measured down to 1 nM. Theoretical calculations demonstrate that the specific sensing mechanism greatly depends on the electron transport ability of glutathione dimer bridged by heavy metal ions, which is determined by its frontier molecular orbital, not the binding energy.

BIANCA, a biophysical model of cell survival and chromosome damage by protons, C-ions and He-ions at energies and doses used in hadrontherapy

Science.gov (United States)

Pietro Carante, Mario; Aimè, Chiara; Tello Cajiao, John James; Ballarini, Francesca

2018-04-01

An upgraded version of the BIANCA II biophysical model, which describes more realistically interphase chromosome organization and the link between chromosome aberrations and cell death, was applied to V79 and AG01522 cells exposed to protons, C-ions and He-ions over a wide LET interval (0.6–502 keV µm‑1), as well as proton-irradiated U87 cells. The model assumes that (i) ionizing radiation induces DNA ‘cluster lesions’ (CLs), where by definition each CL produces two independent chromosome fragments; (ii) fragment (distance-dependent) mis-rejoining, or un-rejoining, produces chromosome aberrations; (iii) some aberrations lead to cell death. The CL yield, which mainly depends on radiation quality but is also modulated by the target cell, is an adjustable parameter. The fragment un-rejoining probability, f, is the second, and last, parameter. The value of f, which is assumed to depend on the cell type but not on radiation quality, was taken from previous studies, and only the CL yield was adjusted in the present work. Good agreement between simulations and experimental data was obtained, suggesting that BIANCA II is suitable for calculating the biological effectiveness of hadrontherapy beams. For both V79 and AG01522 cells, the mean number of CLs per micrometer was found to increase with LET in a linear-quadratic fashion before the over-killing region, where a less rapid increase, with a tendency to saturation, was observed. Although the over-killing region deserves further investigation, the possibility of fitting the CL yields is an important feature for hadrontherapy, because it allows performing predictions also at LET values where experimental data are not available. Finally, an approach was proposed to predict the ion-response of the cell line(s) of interest from the ion-response of a reference cell line and the photon response of both. A pilot study on proton-irradiated AG01522 and U87 cells, taking V79 cells as a reference, showed encouraging

Coulomb-explosion technique for determining geometrical structures of molecular ions

International Nuclear Information System (INIS)

Gemmell, D.S.

1981-01-01

Traditional experimental techniques (e.g. studies on photon absorption or emission) for determining the sterochemical structures of neutral molecules are extremeley difficult to apply to molecular ions because of problems in obtaining a sufficient spatial density of the ions to be studied. Recent high-resolution measurements on the energy and angle distributions of the fragments produced when fast (MeV) molecular-ion beams from an electrostatic accelerator dissociate (Coulomb explode) in thin foils and in gases, offer promising possibilities for deducing the sterochemical structures of the molecular ions constituting the incident beams. Bond lengths have been determined in this way for several diatomic projectiles (H 2+ , HeH + , CH + , NH + , OH + , N 2+ , O 2+ , etc.) with an accuracy of approx. 0.01 A. H 3+ has been demonstrated (for the first time) to be equilateral triangular and the interproton distance measured. Measurements on single fragments from CO 2+ , N 2 O + , C 3 H 3+ , and CH/sub n/ + have revealed the gross structures of the projectiles. An apparatus has recently been constructed at Argonne to permit precise measurements on fragments in coincidence. The apparatus has been tested on a known structure (OH 2+ ). The O-H bond length was found to be 1.0 +- 0.04 A and the H-O-H bond angle was measured as 110 --- 2 0 . These values are in excellent agreement with those found in optical experiments (0.999 A and 110.5 0 ). This Coulomb explosion technique can be expected to be refined in accuracy and to be extended to a wide range of molecular ions whose structures are inaccessible by other means

Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

DEFF Research Database (Denmark)

Drewsen, Michael

2011-01-01

an excellent alternative to atomic qubits in the realization of a practical ion trap based quantum computer due to favourable internal state decoherence rates. In chemistry, state prepared molecular targets are an ideal starting point for uni-molecular reactions, including coherent control...... of photofragmentation through the application of various laser sources [5,6]. In cold bi-molecular reactions, where the effect of even tiny potential barriers becomes significant, experiments with state prepared molecules can yield important information on the details of the potential curves of the molecular complexes...... by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...

Synthetic Ion Channels and DNA Logic Gates as Components of Molecular Robots.

Science.gov (United States)

Kawano, Ryuji

2018-02-19

A molecular robot is a next-generation biochemical machine that imitates the actions of microorganisms. It is made of biomaterials such as DNA, proteins, and lipids. Three prerequisites have been proposed for the construction of such a robot: sensors, intelligence, and actuators. This Minireview focuses on recent research on synthetic ion channels and DNA computing technologies, which are viewed as potential candidate components of molecular robots. Synthetic ion channels, which are embedded in artificial cell membranes (lipid bilayers), sense ambient ions or chemicals and import them. These artificial sensors are useful components for molecular robots with bodies consisting of a lipid bilayer because they enable the interface between the inside and outside of the molecular robot to function as gates. After the signal molecules arrive inside the molecular robot, they can operate DNA logic gates, which perform computations. These functions will be integrated into the intelligence and sensor sections of molecular robots. Soon, these molecular machines will be able to be assembled to operate as a mass microrobot and play an active role in environmental monitoring and in vivo diagnosis or therapy. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics.

Science.gov (United States)

Mallajosyula, Sairam S; Pati, Swapan K

2007-10-11

Protonation of DNA basepairs is a reversible phenomenon that can be controlled by tuning the pH of the system. Under mild acidic conditions, the hydrogen-bonding pattern of the DNA basepairs undergoes a change. We study the effect of protonation on the electronic properties of the DNA basepairs to probe for possible molecular electronics applications. We find that, under mild acidic pH conditions, the A:T basepair shows excellent rectification behavior that is, however, absent in the G:C basepair. The mechanism of rectification has been discussed using a simple chemical potential model. We also consider the noncanonical A:A basepair and find that it can be used as efficient pH dependent molecular switch. The switching action in the A:A basepair is explained in the light of pi-pi interactions, which lead to efficient delocalization over the entire basepair.

Molecular dynamics simulations of ion range profiles for heavy ions in light targets

Energy Technology Data Exchange (ETDEWEB)

Lan, C. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); State Key Laboratory of Nuclear Physics and Technology, Peking University, 100871 (China); Xue, J.M. [State Key Laboratory of Nuclear Physics and Technology, Peking University, 100871 (China); Zhang, Y., E-mail: Zhangy1@ornl.gov [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Morris, J.R. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Zhu, Z. [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Gao, Y.; Wang, Y.G.; Yan, S. [State Key Laboratory of Nuclear Physics and Technology, Peking University, 100871 (China); Weber, W.J. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

2012-09-01

The determination of stopping powers for slow heavy ions in targets containing light elements is important to accurately describe ion-solid interactions, evaluate ion irradiation effects and predict ion ranges for device fabrication and nuclear applications. Recently, discrepancies of up to 40% between the experimental results and SRIM (Stopping and Range of Ions in Matter) predictions of ion ranges for heavy ions with medium and low energies (<{approx}25 keV/nucleon) in light elemental targets have been reported. The longer experimental ion ranges indicate that the stopping powers used in the SRIM code are overestimated. Here, a molecular dynamics simulation scheme is developed to calculate the ion ranges of heavy ions in light elemental targets. Electronic stopping powers generated from both a reciprocity approach and the SRIM code are used to investigate the influence of electronic stopping on ion range profiles. The ion range profiles for Au and Pb ions in SiC and Er ions in Si, with energies between 20 and 5250 keV, are simulated. The simulation results show that the depth profiles of implanted ions are deeper and in better agreement with the experiments when using the electronic stopping power values derived from the reciprocity approach. These results indicate that the origin of the discrepancy in ion ranges between experimental results and SRIM predictions in the low energy region may be an overestimation of the electronic stopping powers used in SRIM.

Investigation of the silicon ion density during molecular beam epitaxy growth

CERN Document Server

Eifler, G; Ashurov, K; Morozov, S

2002-01-01

Ions impinging on a surface during molecular beam epitaxy influence the growth and the properties of the growing layer, for example, suppression of dopant segregation and the generation of crystal defects. The silicon electron gun in the molecular beam epitaxy (MBE) equipment is used as a source for silicon ions. To use the effect of ion bombardment the mechanism of generation and distribution of ions was investigated. A monitoring system was developed and attached at the substrate position in the MBE growth chamber to measure the ion and electron densities towards the substrate. A negative voltage was applied to the substrate to modify the ion energy and density. Furthermore the current caused by charge carriers impinging on the substrate was measured and compared with the results of the monitoring system. The electron and ion densities were measured by varying the emission current of the e-gun achieving silicon growth rates between 0.07 and 0.45 nm/s and by changing the voltage applied to the substrate betw...

Physics with fast molecular-ion beams. Proceedings of workshop held at Argonne National Laboratory, August 20-21, 1979

International Nuclear Information System (INIS)

Gemmell, D.S.

1979-01-01

The Workshop on Physics with Fast Molecular-Ion Beams was held in the Physics Division, Argonne National Laboratory on August 20 and 21, 1979. The meeting brought together representatives from several groups studying the interactions of fast (MeV) molecular-ion beams with matter. By keeping the Workshop program sharply focussed on current work related to the interactions of fast molecular ions, it was made possible for the participants to engage in vigorous and detailed discussions concerning such specialized topics as molecular-ion dissociation and transmission, wake effects, ionic charge states, cluster stopping powers, beam-foil spectroscopy, electron-emissions studies with molecular-ion beams, and molecular-ion structure determinations

Mutagenesis in human cells with accelerated H and Fe ions

Science.gov (United States)

Kronenberg, Amy

1994-01-01

The overall goals of this research were to determine the risks of mutation induction and the spectra of mutations induced by energetic protons and iron ions at two loci in human lymphoid cells. During the three year grant period the research has focused in three major areas: (1) the acquisition of sufficient statistics for human TK6 cell mutation experiments using Fe ions (400 MeV/amu), Fe ions (600 MeV/amu) and protons (250 MeV/amu); (2) collection of thymidine kinase- deficient (tk) mutants or hypoxanthine phosphoribosyltransferase deficient (hprt) mutants induced by either Fe 400 MeV/amu, Fe 600 MeV/amu, or H 250 MeV/amu for subsequent molecular analysis; and (3) molecular characterization of mutants isolated after exposure to Fe ions (600 MeV/amu). As a result of the shutdown of the BEVALAC heavy ion accelerator in December 1992, efforts were rearranged somewhat in time to complete our dose-response studies and to complete mutant collections in particular for the Fe ion beams prior to the shutdown. These goals have been achieved. A major effort was placed on collection, re-screening, and archiving of 3 different series of mutants for the various particle beam exposures: tk-ng mutants, tk-sg mutants, and hprt-deficient mutants. Where possible, groups of mutants were isolated for several particle fluences. Comparative analysis of mutation spectra has occured with characterization of the mutation spectrum for hprt-deficient mutants obtained after exposure of TK6 cells to Fe ions (600 MeV/amu) and a series of spontaneous mutants.

STARCODES, Stopping Power and Ranges for Electrons, Protons, He

International Nuclear Information System (INIS)

2000-01-01

1 - Description of program or function: The 'STAR CODES', ESTAR, PSTAR, and ASTAR, calculate stopping-power and range tables for electrons, protons, and helium ions (alphas), according to methods described in ICRU Reports 37 and 39. 2 - Method of solution: Collision stopping powers are calculated from the theory of Bethe (1930, 1932), with a density-effect correction evaluated according to Sternheimer (1952, 1982). The stopping-power formula contains an important parameter, the mean excitation energy (I-value), which characterizes the stopping properties of a material. The codes provide output for electrons in any stopping material (279 provided) and for protons and helium ions in 74 materials. The calculations include the 1) Collision stopping power, 2) Radiative stopping power (electrons only), 3) Nuclear stopping power (protons and helium ions), 4) Total stopping power, 5) CSDA range, 6) Projected range (protons and helium ions), 7) Density effect parameter (electrons), 8) Radiation yield (electrons), and 9) Detour factor (protons and helium ions). Standard energy grids and files of elements w/ionization-excitation information are included with lookup table capabilities. 3 - Restrictions on the complexity of the problem: The minimum energies used in the calculations are at 1 KeV (protons and helium ions) and 10 KeV (electrons), and the maximum are 1 GeV. The standard energy grids are set at 81 for electrons, equally spaced (logarithmically), 133 for protons, and 122 for helium ions. The lower energy electron calculations (< 10 KeV) have up to 5-10% errors and are considered too fallable

Proton and carbon ion radiotherapy for primary brain tumors and tumors of the skull base

Energy Technology Data Exchange (ETDEWEB)

Combs, Stephanie E.; Kessel, Kerstin; Habermehl, Daniel; Debus, Jurgen [Univ. Hospital of Heidelberg, Dept. of Radiation Oncology, Heidelberg (Germany)], e-mail: Stephanie.Combs@med.uni-heidelberg.de; Haberer, Thomas [Heidelberger Ionenstrahl Therapiezentrum (HIT), Heidelberg (Germany); Jaekel, Oliver [Univ. Hospital of Heidelberg, Dept. of Radiation Oncology, Heidelberg (Germany); Heidelberger Ionenstrahl Therapiezentrum (HIT), Heidelberg (Germany)

2013-10-15

To analyze clinical concepts, toxicity and treatment outcome in patients with brain and skull base tumors treated with photons and particle therapy. Material and methods: In total 260 patients with brain tumors and tumors of the skull base were treated at the Heidelberg Ion Therapy Center (HIT). Patients enrolled in and randomized within prospective clinical trials as well as bony or soft tissue tumors are not included in this analysis. Treatment was delivered as protons, carbon ions, or combinations of photons and a carbon ion boost. All patients are included in a tight follow-up program. The median follow-up time is 12 months (range 2-39 months). Results: Main histologies included meningioma (n = 107) for skull base lesions, pituitary adenomas (n = 14), low-grade gliomas (n = 51) as well as high-grade gliomas (n = 55) for brain tumors. In all patients treatment could be completed without any unexpected severe toxicities. No side effects > CTC Grade III were observed. To date, no severe late toxicities were observed, however, for endpoints such as secondary malignancies or neuro cognitive side effects follow-up time still remains too short. Local recurrences were mainly seen in the group of high-grade gliomas or atypical meningiomas; for benign skull base meningiomas, to date, no recurrences were observed during follow-up. Conclusion: The specific benefit of particle therapy will potentially reduce the risk of secondary malignancies as well as improve neuro cognitive outcome and quality of life (QOL); thus, longer follow-up will be necessary to confirm these endpoints. Indication-specific trials on meningiomas and gliomas are underway to elucidate the role of protons and carbon ions in these indications.

Proton and carbon ion radiotherapy for primary brain tumors and tumors of the skull base

International Nuclear Information System (INIS)

Combs, Stephanie E.; Kessel, Kerstin; Habermehl, Daniel; Debus, Jurgen; Haberer, Thomas; Jaekel, Oliver

2013-01-01

To analyze clinical concepts, toxicity and treatment outcome in patients with brain and skull base tumors treated with photons and particle therapy. Material and methods: In total 260 patients with brain tumors and tumors of the skull base were treated at the Heidelberg Ion Therapy Center (HIT). Patients enrolled in and randomized within prospective clinical trials as well as bony or soft tissue tumors are not included in this analysis. Treatment was delivered as protons, carbon ions, or combinations of photons and a carbon ion boost. All patients are included in a tight follow-up program. The median follow-up time is 12 months (range 2-39 months). Results: Main histologies included meningioma (n = 107) for skull base lesions, pituitary adenomas (n = 14), low-grade gliomas (n = 51) as well as high-grade gliomas (n = 55) for brain tumors. In all patients treatment could be completed without any unexpected severe toxicities. No side effects > CTC Grade III were observed. To date, no severe late toxicities were observed, however, for endpoints such as secondary malignancies or neuro cognitive side effects follow-up time still remains too short. Local recurrences were mainly seen in the group of high-grade gliomas or atypical meningiomas; for benign skull base meningiomas, to date, no recurrences were observed during follow-up. Conclusion: The specific benefit of particle therapy will potentially reduce the risk of secondary malignancies as well as improve neuro cognitive outcome and quality of life (QOL); thus, longer follow-up will be necessary to confirm these endpoints. Indication-specific trials on meningiomas and gliomas are underway to elucidate the role of protons and carbon ions in these indications

Proton diffraction

International Nuclear Information System (INIS)

Den Besten, J.L.; Jamieson, D.N.; Allen, L.J.

1998-01-01

The Lindhard theory on ion channeling in crystals has been widely accepted throughout ion beam analysis for use in simulating such experiments. The simulations use a Monte Carlo method developed by Barret, which utilises the classical 'billiard ball' theory of ions 'bouncing' between planes or tubes of atoms in the crystal. This theory is not valid for 'thin' crystals where the planes or strings of atoms can no longer be assumed to be of infinite proportions. We propose that a theory similar to that used for high energy electron diffraction can be applied to MeV ions, especially protons, in thin crystals to simulate the intensities of transmission channeling and of RBS spectra. The diffraction theory is based on a Bloch wave solution of the Schroedinger equation for an ion passing through the periodic crystal potential. The widely used universal potential for proton-nucleus scattering is used to construct the crystal potential. Absorption due to thermal diffuse scattering is included. Experimental parameters such as convergence angle, beam tilt and scanning directions are considered in our calculations. Comparison between theory and experiment is encouraging and suggests that further work is justified. (authors)

Evolution of heavy ions (He{sup 2+}, H{sup +}) radiolytic yield of molecular hydrogen vs. ''Track-Segment'' LET values

Energy Technology Data Exchange (ETDEWEB)

Crumiere, Francis; Vandenborre, Johan; Blain, Guillaume; Fattahi, Massoud [Nantes Univ., CNRS/IN2P3 (France). SUBATECH Unite Mixte de Recherche 6457; Haddad, Ferid [Nantes Univ., CNRS/IN2P3 (France). SUBATECH Unite Mixte de Recherche 6457; Cyclotron Arronax, Saint Herblain (France)

2017-08-01

Ionizing radiation's effects onto water molecules lead to the ionization and/or the excitation of them. Then, these phenomena are followed by the formation of radicals and molecular products. The linear energy transfer (LET), which defines the energy deposition density along the radiation length, is different according to the nature of ionizing particles. Thus, the values of radiolytic yields, defined as the number of radical and molecular products formed or consumed by unit of deposited energy, evolve according to this parameter. This work consists in following the evolution of radiolytic yield of molecular hydrogen and ferric ions according to the ''Track-Segment'' LET of ionizing particles (protons, helions). Concerning G(Fe{sup 3+}) values, it seems that the energy deposited into the Bragg peak does not play the main role for the Fe{sup 3+} radiolytic formation, whereas for the G(H{sub 2}) it is the case with a component around 40% of the Bragg peak in the dihydrogen production. Therefore, as main results of this work, for high energetic Helion and Proton beams, the G(Fe{sup 3+}) values, which can be used for further dosimetry studies for example during the α radiolysis experiments, and the primary g(H{sub 2}) values for the Track-Segment LET, which can be used to determine the dihydrogen production by α-emitters, are published.

Collisions of antiprotons with hydrogen molecular ions

DEFF Research Database (Denmark)

Lühr, Armin Christian; Saenz, Alejandro

2009-01-01

Time-dependent close-coupling calculations of the ionization and excitation cross section for antiproton collisions with molecular hydrogen ions are performed in an impact energy range from 0.5 keV to 10 MeV. The Born-Oppenheimer and Franck-Condon approximations as well as the impact parameter...

Biomimetic supercontainers for size-selective electrochemical sensing of molecular ions

Science.gov (United States)

Netzer, Nathan L.; Must, Indrek; Qiao, Yupu; Zhang, Shi-Li; Wang, Zhenqiang; Zhang, Zhen

2017-04-01

New ionophores are essential for advancing the art of selective ion sensing. Metal-organic supercontainers (MOSCs), a new family of biomimetic coordination capsules designed using sulfonylcalix[4]arenes as container precursors, are known for their tunable molecular recognition capabilities towards an array of guests. Herein, we demonstrate the use of MOSCs as a new class of size-selective ionophores dedicated to electrochemical sensing of molecular ions. Specifically, a MOSC molecule with its cavities matching the size of methylene blue (MB+), a versatile organic molecule used for bio-recognition, was incorporated into a polymeric mixed-matrix membrane and used as an ion-selective electrode. This MOSC-incorporated electrode showed a near-Nernstian potentiometric response to MB+ in the nano- to micro-molar range. The exceptional size-selectivity was also evident through contrast studies. To demonstrate the practical utility of our approach, a simulated wastewater experiment was conducted using water from the Fyris River (Sweden). It not only showed a near-Nernstian response to MB+ but also revealed a possible method for potentiometric titration of the redox indicator. Our study thus represents a new paradigm for the rational design of ionophores that can rapidly and precisely monitor molecular ions relevant to environmental, biomedical, and other related areas.

Protons and how they are transported by proton pumps

DEFF Research Database (Denmark)

Buch-Pedersen, Morten Jeppe; Pedersen, Bjørn Panyella; Veierskov, Bjarke

2008-01-01

The very high mobility of protons in aqueous solutions demands special features of membrane proton transporters to sustain efficient yet regulated proton transport across biological membranes. By the use of the chemical energy of ATP, plasma-membrane-embedded ATPases extrude protons from cells...... of plants and fungi to generate electrochemical proton gradients. The recently published crystal structure of a plasma membrane H(+)-ATPase contributes to our knowledge about the mechanism of these essential enzymes. Taking the biochemical and structural data together, we are now able to describe the basic...... molecular components that allow the plasma membrane proton H(+)-ATPase to carry out proton transport against large membrane potentials. When divergent proton pumps such as the plasma membrane H(+)-ATPase, bacteriorhodopsin, and F(O)F(1) ATP synthase are compared, unifying mechanistic premises for biological...

Effects of ion irradiation on the mechanical properties of several polymers

International Nuclear Information System (INIS)

Sasuga, Tsuneo; Kawanishi, Shunichi; Nishi, Masanobu; Seguchi, Tadao

1991-01-01

The effects of high-energy ion irradiation on the tensile properties of polymers were studied under conditions in which ions should pass completely through the specimen and the results were compared with 2 MeV electron irradiation effects. Experiments were carried out on polymers having various constituents and molecular structures, i.e. eight aliphatic polymers and four aromatic polymers. In the aliphatic polymers studied there was scarcely any difference in the dose dependence of the tensile strength and ultimate elongation between proton and electron irradiation. In the aromatic polymers, however, the decrements in the tensile strength and ultimate elongation vs proton dose were less than those for electron irradiation. In heavy-ion irradiation, the radiation damage of PE (an aliphatic polymer) decreased with increase of LET, but no obvious LET effects were observed in PES (an aromatic polymer). (author)

Energy dependent track structure parametrizations for protons and carbon ions based on nano-metric simulations

International Nuclear Information System (INIS)

Frauke, A.; Wilkens, J.J.; Villagrasa, C.; Rabus, H.

2015-01-01

The BioQuaRT project within the European Metrology Research Programme aims at correlating ion track structure characteristics with the biological effects of radiation and develops measurement and simulation techniques for determining ion track structure on different length scales from about 2 nm to about 10 μm. Within this framework, we investigate methods to translate track-structure quantities derived on a nanometer scale to macroscopic dimensions. Input data sets were generated by simulations of ion tracks of protons and carbon ions in liquid water using the Geant-4 Monte Carlo tool-kit with the Geant-4-DNA processes. Based on the energy transfer points - recorded with nanometer resolution - we investigated parametrizations of overall properties of ion track structure. Three different track structure parametrizations have been developed using the distances to the 10 next neighbouring ionizations, the radial energy distribution and ionisation cluster size distributions. These parametrizations of nanometer-scale track structure build a basis for deriving biologically relevant mean values which are essential in the clinical situation where each voxel is exposed to a mixed radiation field. (authors)

Polarized Proton Collisions at RHIC

CERN Document Server

Bai, Mei; Alekseev, Igor G; Alessi, James; Beebe-Wang, Joanne; Blaskiewicz, Michael; Bravar, Alessandro; Brennan, Joseph M; Bruno, Donald; Bunce, Gerry; Butler, John J; Cameron, Peter; Connolly, Roger; De Long, Joseph; Drees, Angelika; Fischer, Wolfram; Ganetis, George; Gardner, Chris J; Glenn, Joseph; Hayes, Thomas; Hseuh Hsiao Chaun; Huang, Haixin; Ingrassia, Peter; Iriso, Ubaldo; Laster, Jonathan S; Lee, Roger C; Luccio, Alfredo U; Luo, Yun; MacKay, William W; Makdisi, Yousef; Marr, Gregory J; Marusic, Al; McIntyre, Gary; Michnoff, Robert; Montag, Christoph; Morris, John; Nicoletti, Tony; Oddo, Peter; Oerter, Brian; Osamu, Jinnouchi; Pilat, Fulvia Caterina; Ptitsyn, Vadim; Roser, Thomas; Satogata, Todd; Smith, Kevin T; Svirida, Dima; Tepikian, Steven; Tomas, Rogelio; Trbojevic, Dejan; Tsoupas, Nicholaos; Tuozzolo, Joseph; Vetter, Kurt; Wilinski, Michelle; Zaltsman, Alex; Zelenski, Anatoli; Zeno, Keith; Zhang, S Y

2005-01-01

The Relativistic Heavy Ion Collider~(RHIC) provides not only collisions of ions but also collisions of polarized protons. In a circular accelerator, the polarization of polarized proton beam can be partially or fully lost when a spin depolarizing resonance is encountered. To preserve the beam polarization during acceleration, two full Siberian snakes were employed in RHIC to avoid depolarizing resonances. In 2003, polarized proton beams were accelerated to 100~GeV and collided in RHIC. Beams were brought into collisions with longitudinal polarization at the experiments STAR and PHENIX by using spin rotators. RHIC polarized proton run experience demonstrates that optimizing polarization transmission efficiency and improving luminosity performance are significant challenges. Currently, the luminosity lifetime in RHIC is limited by the beam-beam effect. The current state of RHIC polarized proton program, including its dedicated physics run in 2005 and efforts to optimize luminosity production in beam-beam limite...

Electron and molecular ion collisions relevant to divertor plasma

International Nuclear Information System (INIS)

Takagi, H.

2005-01-01

We introduce the concept of the multi-channel quantum defect theory (MQDT) and show the outline of the MQDT newly extended to include the dissociative states. We investigate some molecular processes relevant to the divertor plasma by using the MQDT: the dissociative recombination, dissociative excitation, and rotation-vibrational transition in the hydrogen molecular ion and electron collisions. (author)

ESTAR, PSTAR, ASTAR. A PC package for calculating stopping powers and ranges of electrons, protons and helium ions. Version 2

International Nuclear Information System (INIS)

Berger, M.J.

1993-01-01

A PC package is documented for calculating stopping powers and ranges of electrons, protons and helium ions in matter for energies from 1 keV up to 10 GeV. Stopping powers and ranges for electrons can be calculated for any element, compound or mixture. Stopping powers and ranges of protons and helium ions can be calculated for 74 materials (26 elements and 48 compounds and mixtures). The files are stored on two HD diskettes in compressed form. Both executable files for IBM PC and Fortran-77 source files are provided. All three programs require 5.2 Mb of disk space. This set of two diskettes with detailed documentation is available upon request, cost free, from the IAEA Nuclear Data Section. (author). 25 refs, 4 tabs

Molecular beam studies of ion-molecule reactions

International Nuclear Information System (INIS)

Gentry, W.R.

1978-01-01

A review is presented in which an attempt is made to highlight some of the areas in which molecular beam techniques contribute to the understanding of ion--molecule reaction dynamics. Included are reactant kinetic energy range and resolution, internal state selection and analysis, and new chemical systems and phenomena. 35 references

Production and characterization of protonated molecular clusters containing a given number of water molecules with the DIAM set-up

International Nuclear Information System (INIS)

Bruny, G.

2010-01-01

nano-scale characterization of irradiation in bio-molecular systems requires observation of novel features which are now achievable with the recent technical progress. This work is a central part in the development of DIAM which is a new experimental set-up devoted to irradiation of bio-molecular clusters at the Institut de Physique Nucleaire de Lyon. The development of the cluster source and of a double focusing mass spectrometer leads to the production of intense beams of mass selected protonated molecular clusters. Combined with this mass selected cluster beams an innovative detection technique is demonstrated in collision induced dissociation experiments. The results contribute to the knowledge of the stability and the structure of the small protonated water clusters and mixed clusters of water and pyridine. (author)

LET dependence of GafChromic films and an ion chamber in low-energy proton dosimetry

International Nuclear Information System (INIS)

Kirby, Daniel; Parker, David; Green, Stuart; Hugtenburg, Richard; Wojnecki, Cecile; Palmans, Hugo

2010-01-01

Dosimetry using a PMMA phantom was performed in 15 and 29 MeV proton beams from the Birmingham cyclotron, with a Markus parallel-plate ionization chamber and GafChromic EBT and MD-V2-55 film. Simulations of the depth-dose curves were performed with FLUKA 2008.3 and MCNPX 2.5.0, which agreed almost perfectly with each other in range and only differed by 2% in the Bragg peak (BP) region. FLUKA was also used to calculate k Q factors for Markus chamber measurements as an improvement to the IAEA TRS-398 values in low-energy beams. FLUKA depth-dose simulations overestimate the BP height measured by ion chamber by about 10%, where the initial proton energy spread was estimated by fitting to the slope of the measured BP distal edge. Both GafChromic films showed an under-response in the BP compared to ion chamber; however, EBT exhibits this effect at lower energies than MD-V2-55. A possible reason for this is attributed to the shape and arrangement of the monomer particles being different in the active components of EBT and MD-V2-55. Relative effectiveness (RE) of both films is presented as functions of residual range R res in water and peak proton energy determined by FLUKA, with considerations for the spatial separation of the two active layers in each film. The proton energies at which RE reduces to 90% of maximum film response are 6.7 and 3.2 MeV for MD-V2-55 and EBT, respectively. Additionally, a beam quality correction factor (g Q,Q 0 ) is suggested for both GafChromic films, involving water-to-film stopping power ratios evaluated using ICRU recommendations, and a polymer yield factor G Q 0 /G Q . RE in this work is equated to the reciprocal of the polymer yield factor. The calculated values of (s w,film ) Q /(s w,film ) Q 0 are constant within 2.1% and 1.2% across the proton energy range of 1-300 MeV for EBT and MD-V2-55, respectively, so it is concluded that the polymer yield factor is the dominant factor causing the LET quenching effect.

The search for molecular effects in range corrections: boron determination by proton bombardment

International Nuclear Information System (INIS)

Olivier, C.; Peisach, M.

1985-01-01

Three different nuclear reactions viz. 10 B(p,αγ) 7 Be, 10 B(p,p,'γ) 10 B, and 11 B(p,p'γ) 11 B were used to analyse 21 pure boron compounds and mixtures of known composition by prompt gamma-ray spectrometry under proton bombardment. Elemental stopping powers were calculated from tables and used to compute the stopping power of the target matrices by Bragg's Law. Apparent discrepancies in the measured yield could point to deviations from Bragg's Law and hence to molecular effects. The maximum value for any molecular effect was found to be < 8,3%

Ion-beam-induced aggregation in polystyrene: The influence of the molecular parameters

International Nuclear Information System (INIS)

Puglisi, O.; Licciardello, A.; Calcagno, L.; Foti, G.

1988-01-01

The formation of an insoluble gel under ion-beam bombardment is governed by ion-beam parameters and target parameters. Here reported is a study of the influence of the target molecular parameters on the sol--gel transition of ion-bombarded polystyrene with particular emphasis for the number-average molecular weight M-bar/sub n/. It is shown that the main parameter is the number of macromolcules of the film so that by adopting a ''corrected'' fluence F/n (ions per macromolecule), the different curves of the various polymers collapse in only one universal curve. The importance of the ''corrected'' fluence is shown also at molecular level and the MWD of the various polymers is similar at equal F/n values. An experimental model is outlined which explains the sol--gel transition on the basis of transition from an isolated-track regime to an overlap regime where the formation of insoluble giant macromolecules occurs

MEIC Proton Beam Formation with a Low Energy Linac

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yuhong [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

2015-09-01

The MEIC proton and ion beams are generated, accumulated, accelerated and cooled in a new green-field ion injector complex designed specifically to support its high luminosity goal. This injector consists of sources, a linac and a small booster ring. In this paper we explore feasibility of a short ion linac that injects low-energy protons and ions into the booster ring.

Structural and spectroscopic features of proton hydrates in the crystalline state. Solid-state DFT study on HCl and triflic acid hydrates

Science.gov (United States)

Vener, M. V.; Chernyshov, I. Yu.; Rykounov, A. A.; Filarowski, A.

2018-01-01

Crystalline HCl and CF3SO3H hydrates serve as excellent model systems for protonated water and perfluorosulphonic acid membranes, respectively. They contain characteristic H3O+, H5О+2, H7О+3 and H3O+(H2O)3 (the Eigen cation) structures. The properties of these cations in the crystalline hydrates of strong monobasic acids are studied by solid-state density function theory (DFT). Simultaneous consideration of the HCl and CF3SO3H hydrates reveals the impact of the size of a counter ion and the crystalline environment on the structure and infrared active bands of the simplest proton hydrates. The H7O+3 structure is very sensitive to the size of the counter ion and symmetry of the local environment. This makes it virtually impossible to identify the specific features of H7O+3 in molecular crystals. The H3O+ ion can be treated as the Eigen-like cation in the crystalline state. Structural, infrared and electron-density features of H5О+2 and the Eigen cation are virtually insensitive to the size of the counter ion and the symmetry of the local crystalline environment. These cations can be considered as the simplest stable proton hydrates in the condensed phase. Finally, the influence of the Grimme correction on the structure and harmonic frequencies of the molecular crystals with short (strong) intermolecular O-H···O bonds is discussed.

The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study

Directory of Open Access Journals (Sweden)

Tadafumi Uchimaru

2002-04-01

Full Text Available Abstract: The accurate O-H bond dissociation enthalpies for a series of meta and para substituted phenols (X-C6H4-OH, X=H, F, Cl, CH3, OCH3, OH, NH2, CF3, CN, and NO2 have been calculated by using the (ROB3LYP procedure with 6-311G(d,p and 6-311++G(2df,2p basis sets. The proton affinities of the corresponding phenoxide ions (XC6H4-O- have also been computed at the same level of theory. The effect of change of substituent position on the energetics of substituted phenols has been analyzed. The correlations of Hammett’s substituent constants with the bond dissociation enthalpies of the O-H bonds of phenols and proton affinities of phenoxide ions have been explored.

Molecular simulations of hydrated proton exchange membranes. The structure

Energy Technology Data Exchange (ETDEWEB)

Marcharnd, Gabriel [Duisburg-Essen Univ., Essen (Germany). Lehrstuhl fuer Theoretische Chemie; Bordeaux Univ., Talence (France). Dept. of Chemistry; Bopp, Philippe A. [Bordeaux Univ., Talence (France). Dept. of Chemistry; Spohr, Eckhard [Duisburg-Essen Univ., Essen (Germany). Lehrstuhl fuer Theoretische Chemie

2013-01-15

The structure of two hydrated proton exchange membranes for fuel cells (PEMFC), Nafion {sup registered} (Dupont) and Hyflon {sup registered} (Solvay), is studied by all-atom molecular dynamics (MD) computer simulations. Since the characteristic times of these systems are long compared to the times for which they can be simulated, several different, but equivalent, initial configurations with a large degree of randomness are generated for different water contents and then equilibrated and simulated in parallel. A more constrained structure, analog to the newest model proposed in the literature based on scattering experiments, is investigated in the same way. One might speculate that a limited degree of entanglement of the polymer chains is a key feature of the structures showing the best agreement with experiment. Nevertheless, the overall conclusion remains that the scattering experiments cannot distinguish between the several, in our view equally plausible, structural models. We thus find that the characteristic features of experimental scattering curves are, after equilibration, fairly well reproduced by all systems prepared with our method. We thus study in more detail some structural details. We attempt to characterize the spatial and size distribution of the water rich domains, which is where the proton diffusion mostly takes place, using several clustering algorithms. (orig.)

Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations

Czech Academy of Sciences Publication Activity Database

Duboué-Dijon, Elise; Mason, Philip E.; Fischer, H. E.; Jungwirth, Pavel

2017-01-01

Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : imidazole protonation * molecular dynamics * neutron scattering Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016

Time variations of magnetospheric intensities of outer zone protons, alpha particles and ions (Z greater than or equal to 2). Ph.D. Thesis

Science.gov (United States)

Randall, B. A.

1973-01-01

A comprehensive study of the temporal behavior of trapped protons, alpha particles and ions (Z 2) in outer zone of the earth's magnetosphere has been made. These observations were made by the Injun V satellite during the first 21 months of operation, August 1968 to May 1970. Rapid increases in the observed number of particles followed by slower exponential decay characterize the data. Comparisons are made with the temporal behavior of interplanetary particles of the same energy observed by Explorer 35. Increases in the trapped fluxes generally correspond to enhanced interplanetary activity. The energy spectra of protons and alpha particles at L = 3 have similar shapes when compared on an energy per charge basis while the respective polar cap spectra have similar shape on an energy per nucleon basis. Apparent inward trans-L motion of energetic protons is observed. These particles are diffused inward by a process involving fluctuating electric fields. The loss of trapped low altitude protons, alpha particles and ions (Z 2) is controlled by coulombic energy loss in the atmosphere.

Innershell ionization by fast protons, alpha particles and carbon ions

International Nuclear Information System (INIS)

Dijk, J.H. van.

1984-01-01

The subject of this thesis is the study of inner-shell excitations of atoms induced by fast charged particle collisions. A new method is described for measuring the spectrum of delta-electrons emitted by 208 Pb after excitation by 15 MeV protons or 50 MeV alpha particles. Experimental equipment is described. Results of both experiments are presented and compared with PWBA models and with calculations based on a semi-classical approximation. The small-impact-parameter ionization probabilities obtained are then compared with literature. Also small-impact-parameter measurements done with 100 MeV carbon ions are described. Besides K-shell measurements, the author also presents L-subshell ionization probability results for Pb. An appendix is added in which energy straggling problems in solid targets are treated. (Auth./G.J.P.)

Investigation of the silicon ion density during molecular beam epitaxy growth

Science.gov (United States)

Eifler, G.; Kasper, E.; Ashurov, Kh.; Morozov, S.

2002-05-01

Ions impinging on a surface during molecular beam epitaxy influence the growth and the properties of the growing layer, for example, suppression of dopant segregation and the generation of crystal defects. The silicon electron gun in the molecular beam epitaxy (MBE) equipment is used as a source for silicon ions. To use the effect of ion bombardment the mechanism of generation and distribution of ions was investigated. A monitoring system was developed and attached at the substrate position in the MBE growth chamber to measure the ion and electron densities towards the substrate. A negative voltage was applied to the substrate to modify the ion energy and density. Furthermore the current caused by charge carriers impinging on the substrate was measured and compared with the results of the monitoring system. The electron and ion densities were measured by varying the emission current of the e-gun achieving silicon growth rates between 0.07 and 0.45 nm/s and by changing the voltage applied to the substrate between 0 to -1000 V. The dependencies of ion and electron densities were shown and discussed within the framework of a simple model. The charged carrier densities measured with the monitoring system enable to separate the ion part of the substrate current and show its correlation to the generation rate. Comparing the ion density on the whole substrate and in the center gives a hint to the ion beam focusing effect. The maximum ion and electron current densities obtained were 0.40 and 0.61 μA/cm2, respectively.

ICT-Isomerization-Induced Turn-On Fluorescence Probe with a Large Emission Shift for Mercury Ion: Application in Combinational Molecular Logic.

Science.gov (United States)

Bhatta, Sushil Ranjan; Mondal, Bijan; Vijaykumar, Gonela; Thakur, Arunabha

2017-10-02

A unique turn-on fluorescent device based on a ferrocene-aminonaphtholate derivative specific for Hg 2+ cation was developed. Upon binding with Hg 2+ ion, the probe shows a dramatic fluorescence enhancement (the fluorescence quantum yield increases 58-fold) along with a large red shift of 68 nm in the emission spectrum. The fluorescence enhancement with a red shift may be ascribed to the combinational effect of C═N isomerization and an extended intramolecular charge transfer (ICT) mechanism. The response was instantaneous with a detection limit of 2.7 × 10 -9 M. Upon Hg 2+ recognition, the ferrocene/ferrocenium redox peak was anodically shifted by ΔE 1/2 = 72 mV along with a "naked eye" color change from faint yellow to pale orange for this metal cation. Further, upon protonation of the imine nitrogen, the present probe displays a high fluorescence output due to suppression of the C═N isomerization process. Upon deprotonation using strong base, the fluorescence steadily decreases, which indicates that H + and OH - can be used to regulate the off-on-off fluorescence switching of the present probe. Density functional theory studies revealed that the addition of acid leads to protonation of the imine N (according to natural bond orbital analysis), and the resulting iminium proton forms a strong H-bond (2.307 Å) with one of the triazole N atoms to form a five-membered ring, which makes the molecule rigid; hence, enhancement of the ICT process takes place, thereby leading to a fluorescence enhancement with a red shift. The unprecedented combination of H + , OH - , and Hg 2+ ions has been used to generate a molecular system exhibiting the INHIBIT-OR combinational logic operation.

Proton and heavy ion beam (charged particle therapy)

International Nuclear Information System (INIS)

Kanai, Tatsuaki

2003-01-01

There are distinguished therapeutic irradiation facilities of proton and heavy ion beam in Japan. The beam, due to its physical properties, is advantageous for focusing on the lesion in the body and for reducing the exposure dose to normal tissues, relative to X-ray. This makes it possible to irradiate the target lesion with the higher dose. The present review describes physical properties of the beam, equipments for the therapeutic irradiation, the respiratory-gated irradiation system, the layer-stacking irradiation system, therapy planning, and future prospect of the therapy. More than 1,400 patients have received the therapy in National Institute of Radiological Sciences (NIRS) and given a good clinical outcome. The targets are cancers of the head and neck, lung, liver, uterine and prostate, and osteosarcoma. The therapy of osteosarcoma is particularly important, which bringing about the high cure rate. Severe adverse effects are not seen with exception for the digestive tract ulcer. Many attempts like the respiratory-gated and layer-stacking systems and to shorten the therapy period to within 1 week are in progress. (N.I.)

Production of high-brightness continuous wave proton beams with very high proton fractions (abstract)a

International Nuclear Information System (INIS)

Spence, D.; McMichael, G.; Lykke, K.R.; Schneider, J.D.; Sherman, J.; Stevens, R. Jr.; Hodgkins, D.

1996-01-01

This article demonstrates a new technique to significantly enhance the proton fraction of an ion beam extracted from a plasma ion source. We employ a magnetically confined microwave driven source, though the technique is not source specific and can probably be applied equally effectively to other plasma sources such as Penning and multicusp types. Specifically, we dope the plasma with about 1% H 2 O, which increases the proton fraction of a 45 keV 45 mA beam from 75% to 90% with 375 W 2.45 GHz power to the source and from 84% to 92% for 500 W when the source is operated under nonresonant conditions. Much of the remaining fraction of the beam comprises a heavy mass ion we believe to be N + impurity ions resulting from the conditions under which the experiments were performed. If so, this impurity can easily be removed and much higher proton fractions could be expected. Preliminary measurements show the additive has no adverse effect on the emittance of the extracted beam, and source stability is greatly improved

The FAIR proton linac

International Nuclear Information System (INIS)

Kester, O.

2015-01-01

FAIR - the Facility for Antiproton and Ion Research in Europe - constructed at GSI in Darmstadt comprises an international centre of heavy ion accelerators that will drive heavy ion and antimatter research. FAIR will provide worldwide unique accelerator and experimental facilities, allowing a large variety of fore-front research in physics and applied science. FAIR will deliver antiproton and ion beams of unprecedented intensities and qualities. The main part of the FAIR facility is a sophisticated accelerator system, which delivers beams to different experiments of the FAIR experimental collaborations - APPA, NuSTAR, CBM and PANDA - in parallel. Modern H-type cavities offer highest shunt impedances of resonant structures of heavy ion linacs at low beam energies < 20 MeV/u and enable the acceleration of intense proton and ion beams. One example is the interdigital H-type structure. The crossed-bar H-cavities extend these properties to high energies even beyond 100 MeV/u. Compared to conventional Alvarez cavities, these crossed-bar (CH) cavities feature much higher shunt impedance at low energies. The design of the proton linac is based on those cavities

Proton gradients and proton-dependent transport processes in the chloroplast

Directory of Open Access Journals (Sweden)

Ricarda eHöhner

2016-02-01

Full Text Available Proton gradients are fundamental to chloroplast function. Across thylakoid membranes, the light induced proton gradient is essential for ATP synthesis. As a result of proton pumping into the thylakoid lumen, an alkaline stromal pH develops, which is required for full activation of pH-dependent Calvin Benson cycle enzymes. This implies that a pH gradient between the cytosol (pH 7 and the stroma (pH 8 is established upon illumination. To maintain this pH gradient chloroplasts actively extrude protons. More than 30 years ago it was already established that these proton fluxes are electrically counterbalanced by Mg2+, K+ or Cl- fluxes, but only recently the first transport systems that regulate the pH gradient were identified. Notably several (Na+,K+/H+ antiporter systems where identified, that play a role in pH gradient regulation, ion homeostasis, osmoregulation, or coupling of secondary active transport. The established pH gradients are important to drive uptake of essential ions and solutes, but not many transporters involved have been identified to date. In this mini review we summarize the current status in the field and the open questions that need to be addressed in order to understand how pH gradients are maintained, how this is interconnected with other transport processes and what this means for chloroplast function.

Combined exposure to protons and 56Fe leads to overexpression of Il13 and reactivation of repetitive elements in the mouse lung

Science.gov (United States)

Nzabarushimana, Etienne; Prior, Sara; Miousse, Isabelle R.; Pathak, Rupak; Allen, Antiño R.; Latendresse, John; Olsen, Reid H. J.; Raber, Jacob; Hauer-Jensen, Martin; Nelson, Gregory A.; Koturbash, Igor

2015-11-01

Interest in deep space exploration underlines the needs to investigate the effects of exposure to combined sources of space radiation. The lung is a target organ for radiation, and exposure to protons and heavy ions as radiation sources may lead to the development of degenerative disease and cancer. In this study, we evaluated the pro-fibrotic and epigenetic effects of exposure to protons (150 MeV/nucleon, 0.1 Gy) and heavy iron ions (56Fe, 600 MeV/nucleon, 0.5 Gy) alone or in combination (protons on Day 1 and 56Fe on Day 2) in C57BL/6 male mice 4 weeks after irradiation. Exposure to 56Fe, proton or in combination, did not result in histopathological changes in the murine lung. At the same time, combined exposure to protons and 56Fe resulted in pronounced molecular alterations in comparison with either source of radiation alone. Specifically, we observed a substantial increase in the expression of cytokine Il13, loss of expression of DNA methyltransferase Dnmt1, and reactivation of LINE-1, SINE B1 retrotransposons, and major and minor satellites. Given the deleterious potential of the observed effects that may lead to development of chronic lung injury, pulmonary fibrosis, and cancer, future studies devoted to the investigation of the long-term effects of combined exposures to proton and heavy ions are clearly needed.

Mechanism of protodesorption—exchange of heavy metal cations for protons in a heterophase system of H{sub 2}O–H{sub 2}SO{sub 4}–MSO{sub 4}—cellulose sorbent

Energy Technology Data Exchange (ETDEWEB)

Kozlov, V.A.; Nikiforova, T.E., E-mail: tatianaenik@mail.ru; Loginova, V.A.; Koifman, O.I.

2015-12-15

Highlights: • Protodesorption takes place with participation of anions. • The interphase indicator MSO{sub 4} is used in ion exchange investigation. • In ion exchange process salt and acid participate in equivalent proportions. • In a protodesorption process proton acts in degree of ½. • M{sup 2+}/2Na{sup +} and M{sup 2+}/2H{sup +} exchanges take place in ion and molecular forms. - Abstract: The influence of pH on the distribution of metal cations [Cd(II), Cu(II), Fe(II), Ni(II), Zn(II)] in a four-component heterophase system (H{sub 2}O–H{sub 2}SO{sub 4}–MSO{sub 4}–cellulose sorbent) was studied. Protodesorption of metal cations was studied with indicator and constant quantities of [MSO{sub 4}] salts and constant solvent–sorbent ratio. Linear dependence lgK{sub DM2+} = f(pH) with tgα = 1/2 of the K{sub DM2+} metal ions distribution coefficients from the acidity of the aqueous phase is observed in logarithmic coordinates. Depression of the exponent corresponding to proton involvement in protodesorption from 2 (theory) to 0.5 (experiment) indicates that anions of the aqueous phase are involved in the process of exchange of metal cation for proton on the anionic centers of the sorbent, which corresponds to participation of the salt and acid components of the system in molecular non-dissociated form in an equivalent proportion H{sub 2}SO{sub 4}/MSO{sub 4} = 1/1. Different behavior of the salt and acid components in ion exchange of cations for cations and cations for protons is due to the differences in the constraint coefficients of their molecular and ionic forms which must be taken into consideration in equations describing thermodynamics of the interphase exchange.

A combined molecular dynamics and Monte Carlo simulation of the spatial distribution of energy deposition by proton beams in liquid water

Energy Technology Data Exchange (ETDEWEB)

Garcia-Molina, Rafael [Departamento de Fisica, Centro de Investigacion en Optica y Nanofisica (CIOyN), Universidad de Murcia, E-30100 Murcia (Spain); Abril, Isabel [Departament de Fisica Aplicada, Universitat d' Alacant, E-03080 Alacant (Spain); Heredia-Avalos, Santiago [Departament de Fisica, Enginyeria de Sistemes i Teoria del Senyal, Universitat d' Alacant, E-03080 Alacant (Spain); Kyriakou, Ioanna; Emfietzoglou, Dimitris, E-mail: rgm@um.es [Medical Physics Laboratory, University of Ioannina Medical School, GR-45110 Ioannina (Greece)

2011-10-07

We have evaluated the spatial distribution of energy deposition by proton beams in liquid water using the simulation code SEICS (Simulation of Energetic Ions and Clusters through Solids), which combines molecular dynamics and Monte Carlo techniques and includes the main interaction phenomena between the projectile and the target constituents: (i) the electronic stopping force due to energy loss to target electronic excitations, including fluctuations due to the energy-loss straggling, (ii) the elastic scattering with the target nuclei, with their corresponding energy loss and (iii) the dynamical changes in projectile charge state due to electronic capture and loss processes. An important feature of SEICS is the accurate account of the excitation spectrum of liquid water, based on a consistent solid-state description of its energy-loss-function over the whole energy and momentum space. We analyse how the above-mentioned interactions affect the depth distribution of the energy delivered in liquid water by proton beams with incident energies of the order of several MeV. Our simulations show that the position of the Bragg peak is determined mainly by the stopping power, whereas its width can be attributed to the energy-loss straggling. Multiple elastic scattering processes contribute slightly only at the distal part of the Bragg peak. The charge state of the projectiles only changes when approaching the end of their trajectories, i.e. near the Bragg peak. We have also simulated the proton-beam energy distribution at several depths in the liquid water target, and found that it is determined mainly by the fluctuation in the energy loss of the projectile, evaluated through the energy-loss straggling. We conclude that a proper description of the target excitation spectrum as well as the inclusion of the energy-loss straggling is essential in the calculation of the proton beam depth-dose distribution.

A combined molecular dynamics and Monte Carlo simulation of the spatial distribution of energy deposition by proton beams in liquid water

International Nuclear Information System (INIS)

Garcia-Molina, Rafael; Abril, Isabel; Heredia-Avalos, Santiago; Kyriakou, Ioanna; Emfietzoglou, Dimitris

2011-01-01

We have evaluated the spatial distribution of energy deposition by proton beams in liquid water using the simulation code SEICS (Simulation of Energetic Ions and Clusters through Solids), which combines molecular dynamics and Monte Carlo techniques and includes the main interaction phenomena between the projectile and the target constituents: (i) the electronic stopping force due to energy loss to target electronic excitations, including fluctuations due to the energy-loss straggling, (ii) the elastic scattering with the target nuclei, with their corresponding energy loss and (iii) the dynamical changes in projectile charge state due to electronic capture and loss processes. An important feature of SEICS is the accurate account of the excitation spectrum of liquid water, based on a consistent solid-state description of its energy-loss-function over the whole energy and momentum space. We analyse how the above-mentioned interactions affect the depth distribution of the energy delivered in liquid water by proton beams with incident energies of the order of several MeV. Our simulations show that the position of the Bragg peak is determined mainly by the stopping power, whereas its width can be attributed to the energy-loss straggling. Multiple elastic scattering processes contribute slightly only at the distal part of the Bragg peak. The charge state of the projectiles only changes when approaching the end of their trajectories, i.e. near the Bragg peak. We have also simulated the proton-beam energy distribution at several depths in the liquid water target, and found that it is determined mainly by the fluctuation in the energy loss of the projectile, evaluated through the energy-loss straggling. We conclude that a proper description of the target excitation spectrum as well as the inclusion of the energy-loss straggling is essential in the calculation of the proton beam depth-dose distribution.

Optimal conditions for high current proton irradiations at the university of Wisconsin's ion beam laboratory

Energy Technology Data Exchange (ETDEWEB)

Wetteland, C. J.; Field, K. G.; Gerczak, T. J. [Materials Science Program, University of Wisconsin, Madison, WI 53706 (United States); Eiden, T. J.; Maier, B. R.; Albakri, O.; Sridharan, K.; Allen, T. R. [Department of Engineering Physics, University of Wisconsin, Madison, WI 53706 (United States)

2013-04-19

The National Electrostatics Corporation's (NEC) Toroidal Volume Ion Source (TORVIS) source is known for exceptionally high proton currents with minimal service downtime as compared to traditional sputter sources. It has been possible to obtain over 150{mu}A of proton current from the source, with over 70{mu}A on the target stage. However, beam fluxes above {approx}1 Multiplication-Sign 10{sup 17}/m2-s may have many undesirable effects, especially for insulators. This may include high temperature gradients at the surface, sputtering, surface discharge, cracking or even disintegration of the sample. A series of experiments were conducted to examine the role of high current fluxes in a suite of ceramics and insulating materials. Results will show the optimal proton irradiation conditions and target mounting strategies needed to minimize unwanted macro-scale damage, while developing a procedure for conducting preliminary radiation experiments.

Influences of Structure Disorder and Temperature on Properties of Proton Conductivity in Hydrogen-Bond Molecular Systems

Institute of Scientific and Technical Information of China (English)

PANG Xiao-Feng; YU Jia-Feng

2007-01-01

The dynamic properties of proton conductivity along hydrogen-bonded molecular systems,for example,ice crystal,with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our Soliton model.The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium,the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium,but the proton-soliton disperses for quite great fluctuation of the force constant and damping coefficient.In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T ≤ 273 K under influences of damping and externally applied electric-field in ice crystal.This shows that our model is available and appropriate to ice.

Influences of Structure Disorder and Temperature on Properties of Proton Conductivity in Hydrogen-Bond Molecular Systems

International Nuclear Information System (INIS)

Pang Xiaofeng; Yu Jiafeng

2007-01-01

The dynamic properties of proton conductivity along hydrogen-bonded molecular systems, for example, ice crystal, with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our soliton model. The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium, the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium, but the proton-soliton disperses for quite great fluctuation of the force constant and damping coefficient. In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T≤273 K under influences of damping and externally applied electric-field in ice crystal. This shows that our model is available and appropriate to ice.

Isomeric signatures in the fragmentation of pyridazine and pyrimidine induced by fast ion impact

Energy Technology Data Exchange (ETDEWEB)

Wolff, Wania, E-mail: wania@if.ufrj.br; Luna, Hugo; Montenegro, Eduardo C. [Instituto de Física, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ (Brazil)

2015-07-28

We present fast proton impact induced fragmentations of pyrimidine and pyridazine as an experimental resource to investigate isomeric signatures. Major isomeric imprints are identified for few fragment ions and differences of more than an order of magnitude for the cross sections of fragments of the same mass were measured. The observation of the molecular structure of these isomers gives no apparent indication for the reasons for such substantial differences. It is verified that the simple displacement of the position of one nitrogen atom strongly inhibits or favors the production of some ionic fragment species. The dependency of the fragmentation cross sections on the proton impact energy, investigated by means of time of flight mass spectroscopy and of a model calculation based in first order perturbation theory, allows us to disentangle the complex collision dynamics of the ionic fragments. The proton-induced fragmentation discriminates rather directly the association between a molecular orbital ionization and the fragment-ions creation and abundance, as well as how the redistribution of the energy imparted to the molecules takes place, triggering not only single but also double vacancy and leads to specific fragmentation pathways.

Molecular dynamics studies of the ion beam induced crystallization in silicon

International Nuclear Information System (INIS)

Marques, L.A.; Caturla, M.J.; Huang, H.

1995-01-01

We have studied the ion bombardment induced amorphous-to-crystal transition in silicon using molecular dynamics techniques. The growth of small crystal seeds embedded in the amorphous phase has been monitored for several temperatures in order to get information on the effect of the thermal temperature increase introduced by the incoming ion. The role of ion-induced defects on the growth has been also studied

Generation of H-, H2(v double-prime), and H atoms by H2+ and H3+ ions incident upon barium surfaces

International Nuclear Information System (INIS)

Hiskes, J.R.; Karo, A.M.

1989-01-01

The generation of vibrationally excited molecules by electron excitation collisions and the subsequent generation of negative ions by dissociative attachment to these molecules has become a standard model for volume source operation. These processes have been supplemented recently by the demonstration of atom-surface recombination to form vibrationally excited molecules, and enhanced negative ion formation by protons incident upon barium electrodes. In this paper we consider the additional processes of molecular vibrational excitation generated by recombination of molecular ions on the electrode surfaces, and negative ion formation by vibrationally excited molecules rebounding from low work-function electrodes. 10 refs., 4 figs

Ion channels: molecular targets of neuroactive insecticides.

Science.gov (United States)

Raymond-Delpech, Valérie; Matsuda, Kazuhiko; Sattelle, Benedict M; Rauh, James J; Sattelle, David B

2005-11-01

Many of the insecticides in current use act on molecular targets in the insect nervous system. Recently, our understanding of these targets has improved as a result of the complete sequencing of an insect genome, i.e., Drosophila melanogaster. Here we examine the recent work, drawing on genetics, genomics and physiology, which has provided evidence that specific receptors and ion channels are targeted by distinct chemical classes of insect control agents. The examples discussed include, sodium channels (pyrethroids, p,p'-dichlorodiphenyl-trichloroethane (DDT), dihydropyrazoles and oxadiazines); nicotinic acetylcholine receptors (cartap, spinosad, imidacloprid and related nitromethylenes/nitroguanidines); gamma-aminobutyric acid (GABA) receptors (cyclodienes, gamma-BHC and fipronil) and L-glutamate receptors (avermectins). Finally, we have examined the molecular basis of resistance to these molecules, which in some cases involves mutations in the molecular target, and we also consider the future impact of molecular genetic technologies in our understanding of the actions of neuroactive insecticides.

Collision-Induced Dissociation of Deprotonated Peptides. Relative Abundance of Side-Chain Neutral Losses, Residue-Specific Product Ions, and Comparison with Protonated Peptides.

Science.gov (United States)

Liang, Yuxue; Neta, Pedatsur; Yang, Xiaoyu; Stein, Stephen E

2018-03-01

High-accuracy MS/MS spectra of deprotonated ions of 390 dipeptides and 137 peptides with three to six residues are studied. Many amino acid residues undergo neutral losses from their side chains. The most abundant is the loss of acetaldehyde from threonine. The abundance of losses from the side chains of other amino acids is estimated relative to that of threonine. While some amino acids lose the whole side chain, others lose only part of it, and some exhibit two or more different losses. Side-chain neutral losses are less abundant in the spectra of protonated peptides, being significant mainly for methionine and arginine. In addition to the neutral losses, many amino acid residues in deprotonated peptides produce specific negative ions after peptide bond cleavage. An expanded list of fragment ions from protonated peptides is also presented and compared with those of deprotonated peptides. Fragment ions are mostly different for these two cases. These lists of fragments are used to annotate peptide mass spectral libraries and to aid in the confirmation of specific amino acids in peptides. Graphical Abstract ᅟ.

Rotational Laser Cooling of Vibrationally and Translationally Cold Molecular Ions

DEFF Research Database (Denmark)

Drewsen, Michael

2011-01-01

[7,8,9]. Furthermore, in order to learn more about the chemistry in interstellar clouds, astrochemists can benefit greatly from direct measurements on cold reactions in laboratories [9]. Working with MgH+ molecular ions in a linear Paul trap, we routinely cool their translational degree of freedom...... by sympathetic cooling with Doppler laser cooled Mg+ ions. Giving the time for the molecules to equilibrate internally to the room temperature blackbody radiation, the vibrational degree of freedom will freeze out, leaving only the rotational degree of freedom to be cooled. We report here on the implementation...... results imply that, through this technique, cold molecular-ion experiments can now be carried out at cryogenic temperatures in room-temperature set-ups. References [1] Koelemeij, J. C. J., Roth, B., Wicht, A., Ernsting, I. and Schiller, S., Phys. Rev. Lett. 98, 173002 (2007). [2] Hudson, J. J., Sauer, B...

Derivatization of Dextran for Multiply Charged Ion Formation and Electrospray Ionization Time-of-Flight Mass Spectrometric Analysis

Science.gov (United States)

Tapia, Jesus B.; Hibbard, Hailey A. J.; Reynolds, Melissa M.

2017-10-01

We present the use of a simple, one-pot derivatization to allow the polysaccharide dextran to carry multiple positive charges, shifting its molecular weight distribution to a lower m/ z range. We performed this derivatization because molecular weight measurements of polysaccharides by mass spectrometry are challenging because of their lack of readily ionizable groups. The absence of ionizable groups limits proton abstraction and suppresses proton adduction during the ionization process, producing mass spectra with predominantly singly charged metal adduct ions, thereby limiting the detection of large polysaccharides. To address this challenge, we derivatized dextran T1 (approximately 1 kDa) by attaching ethylenediamine, giving dextran readily ionizable, terminal amine functional groups. The attached ethylenediamine groups facilitated proton adduction during the ionization process in positive ion mode. Using the low molecular weight dextran T1, we tracked the number of ethylenediamine attachments by measuring the mass shift from underivatized to derivatized dextran T1. Using electrospray ionization time-of-flight mass spectrometry, we observed derivatized dextran chains ranging from two to nine glucose residues with between one and four attachments/charges. Our success in shifting derivatized dextran T1 toward the low m/ z range suggests potential for this derivatization as a viable route for analysis of high molecular weight polysaccharides using electrospray ionization time-of-flight mass spectrometry. [Figure not available: see fulltext.

Transmission of fast molecular ions through thin foils

International Nuclear Information System (INIS)

Pietsch, W.J.; Gemmell, D.S.; Cooney, P.J.; Kanter, E.P.; Kurath, D.; Ratkowski, A.J.; Vager, Z.; Zabransky, B.J.

1979-01-01

New results on the transmission of fast molecular ions through thin foils are presented and a mechanism for the transmission process is proposed. The main feature of the postulated mechanism is that a finite fraction of the incident molecular beam does not undergo a strong Coulomb explosion while traversing the foil. Because the emerging fragments are at large internuclear separations, there is an enhanced probability for the formation of bound, long-range, excited electronic states following electron capture at the rear surface of the target

[Effect of high magnesium ion concentration on the electron transport rate and proton exchange in thylakoid membranes in higher plants].

Science.gov (United States)

Ignat'ev, A R; Khorobrykh, S A; Ivanov, B N

2001-01-01

The effects of magnesium ion concentration on the rate of electron transport in isolated pea thylakoids were investigated in the pH range from 4.0 up to 8.0. In the absence of magnesium ions in the medium and in the presence of 5 mM MgCl2 in the experiments not only without added artificial acceptors but also with ferricyanide or methylviologen as an acceptor, this rate had a well-expressed maximum at pH 5.0. It was shown that, after depression to minimal values at pH 5.5-6.5, it gradually rose with increasing pH. An increase in magnesium ion concentration up to 20 mM essentially affected the electron transfer rate: it decreased somewhat at pH 4.0-5.0 but increased at higher pH values. At this magnesium ion concentration, the maximum rate was at pH 6.0-6.5 and the minimum, at pH 7.0. Subsequent rise upon increasing pH to 8.0 was expressed more sharply. The influence of high magnesium ion concentration on the rate of electron transport was not observed in the presence of gramicidin D. It was found that without uncoupler, the changes in the electron transfer rate under the influence of magnesium ions correlated to the changes in the first-order rate constant of the proton efflux from thylakoids. It is supposed that the change in the ability of thylakoids to keep protons by the action of magnesium ions is the result of electrostatic interactions of these ions with the charges on the external surface of membranes. A possible role of regulation of the electron transport rate by magnesium ions in vivo is discussed.

Measurement of omega, the energy required to create an ion pair, for 150-MeV protons in nitrogen and argon

International Nuclear Information System (INIS)

Petti, P.L.

1985-01-01

The purpose of this thesis is to provide a 1% measurement of omega, the energy required to produce an ion pair, for 150 MeV protons in various gases. Such a measurement should improve the accuracy of proton ionization chamber dosimetry at the Harvard Cyclotron Laboratory. Currently, no measurements of omega exist in the energy range of 30 to 150 MeV, and present ionization chamber dosimetry at the Cyclotron relies on average values of measurements at lower and higher energies (i.e. for E < 3 MeV and E = 340 MeV). Contrary to theoretical expectations, these low and high energy data differ by as much as 9% in some gases. The results of this investigation demonstrate that the existing high energy data is probably in error, and current proton ionization chamber dosimetry underestimates omega, and hence the proton dose, by 5%

LET dependence of GafChromic films and an ion chamber in low-energy proton dosimetry

Energy Technology Data Exchange (ETDEWEB)

Kirby, Daniel; Parker, David [School of Physics and Astronomy, University of Birmingham, Birmingham, B15 2TT (United Kingdom); Green, Stuart; Hugtenburg, Richard; Wojnecki, Cecile [Department of Medical Physics, University Hospital Birmingham NHS Trust, Birmingham, B15 2TH (United Kingdom); Palmans, Hugo [National Physical Laboratory, Acoustics and Ionizing Radiation, Teddington (United Kingdom)], E-mail: djk191@bham.ac.uk

2010-01-21

Dosimetry using a PMMA phantom was performed in 15 and 29 MeV proton beams from the Birmingham cyclotron, with a Markus parallel-plate ionization chamber and GafChromic EBT and MD-V2-55 film. Simulations of the depth-dose curves were performed with FLUKA 2008.3 and MCNPX 2.5.0, which agreed almost perfectly with each other in range and only differed by 2% in the Bragg peak (BP) region. FLUKA was also used to calculate k{sub Q} factors for Markus chamber measurements as an improvement to the IAEA TRS-398 values in low-energy beams. FLUKA depth-dose simulations overestimate the BP height measured by ion chamber by about 10%, where the initial proton energy spread was estimated by fitting to the slope of the measured BP distal edge. Both GafChromic films showed an under-response in the BP compared to ion chamber; however, EBT exhibits this effect at lower energies than MD-V2-55. A possible reason for this is attributed to the shape and arrangement of the monomer particles being different in the active components of EBT and MD-V2-55. Relative effectiveness (RE) of both films is presented as functions of residual range R{sub res} in water and peak proton energy determined by FLUKA, with considerations for the spatial separation of the two active layers in each film. The proton energies at which RE reduces to 90% of maximum film response are 6.7 and 3.2 MeV for MD-V2-55 and EBT, respectively. Additionally, a beam quality correction factor (g{sub Q,Q{sub 0}}) is suggested for both GafChromic films, involving water-to-film stopping power ratios evaluated using ICRU recommendations, and a polymer yield factor G{sub Q{sub 0}}/G{sub Q}. RE in this work is equated to the reciprocal of the polymer yield factor. The calculated values of (s{sub w,film}){sub Q} /(s{sub w,film}){sub Q{sub 0}} are constant within 2.1% and 1.2% across the proton energy range of 1-300 MeV for EBT and MD-V2-55, respectively, so it is concluded that the polymer yield factor is the dominant factor

Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase

Energy Technology Data Exchange (ETDEWEB)

Henry, Rowan M; Caplan, David; Pomes, Regis [Molecular Structure and Function, Hospital for Sick Children, Toronto, ON, M5G 1X8 (Canada); Fadda, Elisa, E-mail: pomes@sickkids.ca [Department of Chemistry, University of Galway (Ireland)

2011-06-15

Cytochrome c oxidase, the terminal enzyme of the respiratory chain, utilizes the reduction of dioxygen into water to pump protons across the mitochondrial inner membrane. The principal pathway of proton uptake into the enzyme, the D channel, is a 2.5 nm long channel-like cavity named after a conserved, negatively charged aspartic acid (D) residue thought to help recruiting protons to its entrance (D132 in the first subunit of the S. sphaeroides enzyme). The single-point mutation of D132 to asparagine (N), a neutral residue, abolishes enzyme activity. Conversely, replacing conserved N139, one-third into the D channel, by D, induces a decoupled phenotype, whereby oxygen reduction proceeds but not proton pumping. Intriguingly, the double mutant D132N/N139D, which conserves the charge of the D channel, restores the wild-type phenotype. We use molecular dynamics simulations and electrostatic calculations to examine the structural and physical basis for the coupling of proton pumping and oxygen chemistry in single and double N139D mutants. The potential of mean force for the conformational isomerization of N139 and N139D side chains reveals the presence of three rotamers, one of which faces the channel entrance. This out-facing conformer is metastable in the wild-type and in the N139D single mutant, but predominant in the double mutant thanks to the loss of electrostatic repulsion with the carboxylate group of D132. The effects of mutations and conformational isomerization on the pKa of E286, an essential proton-shuttling residue located at the top of the D channel, are shown to be consistent with the electrostatic control of proton pumping proposed recently (Fadda et al 2008 Biochim. Biophys. Acta 1777 277-84). Taken together, these results suggest that preserving the spatial distribution of charges at the entrance of the D channel is necessary to guarantee both the uptake and the relay of protons to the active site of the enzyme. These findings highlight the interplay

Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase

International Nuclear Information System (INIS)

Henry, Rowan M; Caplan, David; Pomes, Regis; Fadda, Elisa

2011-01-01

Cytochrome c oxidase, the terminal enzyme of the respiratory chain, utilizes the reduction of dioxygen into water to pump protons across the mitochondrial inner membrane. The principal pathway of proton uptake into the enzyme, the D channel, is a 2.5 nm long channel-like cavity named after a conserved, negatively charged aspartic acid (D) residue thought to help recruiting protons to its entrance (D132 in the first subunit of the S. sphaeroides enzyme). The single-point mutation of D132 to asparagine (N), a neutral residue, abolishes enzyme activity. Conversely, replacing conserved N139, one-third into the D channel, by D, induces a decoupled phenotype, whereby oxygen reduction proceeds but not proton pumping. Intriguingly, the double mutant D132N/N139D, which conserves the charge of the D channel, restores the wild-type phenotype. We use molecular dynamics simulations and electrostatic calculations to examine the structural and physical basis for the coupling of proton pumping and oxygen chemistry in single and double N139D mutants. The potential of mean force for the conformational isomerization of N139 and N139D side chains reveals the presence of three rotamers, one of which faces the channel entrance. This out-facing conformer is metastable in the wild-type and in the N139D single mutant, but predominant in the double mutant thanks to the loss of electrostatic repulsion with the carboxylate group of D132. The effects of mutations and conformational isomerization on the pKa of E286, an essential proton-shuttling residue located at the top of the D channel, are shown to be consistent with the electrostatic control of proton pumping proposed recently (Fadda et al 2008 Biochim. Biophys. Acta 1777 277-84). Taken together, these results suggest that preserving the spatial distribution of charges at the entrance of the D channel is necessary to guarantee both the uptake and the relay of protons to the active site of the enzyme. These findings highlight the interplay

Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase

Science.gov (United States)

Henry, Rowan M.; Caplan, David; Fadda, Elisa; Pomès, Régis

2011-06-01

Cytochrome c oxidase, the terminal enzyme of the respiratory chain, utilizes the reduction of dioxygen into water to pump protons across the mitochondrial inner membrane. The principal pathway of proton uptake into the enzyme, the D channel, is a 2.5 nm long channel-like cavity named after a conserved, negatively charged aspartic acid (D) residue thought to help recruiting protons to its entrance (D132 in the first subunit of the S. sphaeroides enzyme). The single-point mutation of D132 to asparagine (N), a neutral residue, abolishes enzyme activity. Conversely, replacing conserved N139, one-third into the D channel, by D, induces a decoupled phenotype, whereby oxygen reduction proceeds but not proton pumping. Intriguingly, the double mutant D132N/N139D, which conserves the charge of the D channel, restores the wild-type phenotype. We use molecular dynamics simulations and electrostatic calculations to examine the structural and physical basis for the coupling of proton pumping and oxygen chemistry in single and double N139D mutants. The potential of mean force for the conformational isomerization of N139 and N139D side chains reveals the presence of three rotamers, one of which faces the channel entrance. This out-facing conformer is metastable in the wild-type and in the N139D single mutant, but predominant in the double mutant thanks to the loss of electrostatic repulsion with the carboxylate group of D132. The effects of mutations and conformational isomerization on the pKa of E286, an essential proton-shuttling residue located at the top of the D channel, are shown to be consistent with the electrostatic control of proton pumping proposed recently (Fadda et al 2008 Biochim. Biophys. Acta 1777 277-84). Taken together, these results suggest that preserving the spatial distribution of charges at the entrance of the D channel is necessary to guarantee both the uptake and the relay of protons to the active site of the enzyme. These findings highlight the interplay

Energizing porters by proton-motive force.

Science.gov (United States)

Nelson, N

1994-11-01

It is generally accepted that the chemistry of water was the most crucial determinant in shaping life on earth. Among the more important chemical features of water is its dissociation into protons and hydroxyl ions. The presence of relatively high proton concentrations in the ambient solution resulted in the evolution of proton pumps during the dawn of life on earth. These proton pumps maintained neutral pH inside the cells and generated electrochemical gradients of protons (proton-motive force) across their membranes. The existence of proton-motive force enabled the evolution of porters driven by it that are most probably among the more primitive porters in the world. The directionality of the substrate transport by the porters could be to both sides of the membranes because they can serve as proton symporters or antiporters. One of the most important subjects of this meeting is the mechanism by which proton-motive and other ion-motive forces drive the transport processes through porters. Is there a common mechanism of action for all proton-driven porters? Is there some common partial reaction by which we can identify the way that porters are energized by proton-motive force? Is there a common coupling between proton movement and uptake or secretion of certain molecules? Even a partial answer to one of these questions would advance our knowledge... or confusion. As my mentor Efraim Racker used to say: 'If you are not totally confused you do not understand the issue'.

The rotational temperature of polar molecular ions in Coulomb crystals

International Nuclear Information System (INIS)

Bertelsen, Anders; Joergensen, Solvejg; Drewsen, Michael

2006-01-01

With MgH + ions as a test case, we investigate to what extent the rotational motion of smaller polar molecular ions sympathetically cooled into Coulomb crystals in linear Paul traps couples to the translational motions of the ion ensemble. By comparing the results obtained from rotational resonance-enhanced multiphoton photo-dissociation experiments with data from theoretical simulations, we conclude that the effective rotational temperature exceeds the translational temperature (<100 mK) by more than two orders of magnitude, indicating a very weak coupling. (letter to the editor)

Field ion microscopy study of depleted zones in tungsten after proton irradiation

International Nuclear Information System (INIS)

Farnum, D.J.; Sommer, W.F.; Inal, O.T.; Yu, J.

1986-01-01

Depleted zones in tungsten, that resulted from medium-energy proton irradiations, were studied using the Field Ion Microscope (FIM). The shapes and sizes of depleted zones is an important aspect of basic radiation damage. These data can be compared to models that have been suggested as well as aid development of new models. These depleted volumes are of interest not only for an understanding of basic radiation effects, but also because they affect material properties and can act as nucleation sites for voids or gas bubbles. Depleted zones were produced in annealed tungsten wires by irradiation with 600 to 800 MeV protons at the Los Alamos Meson Physics Facility. The defects observed in the irradiated samples included vacancies, depleted zones, grain boundaries, and dislocations. Single vacancies were the most commonly observed defect. Of the samples ''imaged,'' over 50 depleted zones were found within the area of high resolution in the area between the prominent [112] poles in a [110] oriented sample. The number of layers photographed in each sample was dependent upon the initial shape of the tip and ranged from 60 to 200 [110] sequential layers

Trapped ion simulation of molecular spectrum

Science.gov (United States)

Shen, Yangchao; Lu, Yao; Zhang, Kuan; Zhang, Shuaining; Huh, Joonsuk; Kim, Kihwan

2016-05-01

Boson sampling had been suggested as a classically intractable and quantum mechanically manageable problem via computational complexity theory arguments. Recently, Huh and co-workers proposed theoretically a modified version of boson sampling, which is designed to simulate a molecular problem, as a practical application. Here, we report the experimental implementation of the theoretical proposal with a trapped ion system. As a first demonstration, we perform the quantum simulation of molecular vibronic profile of SO2, which incorporates squeezing, rotation and coherent displacements operations, and the collective projection measurement on phonon modes. This work was supported by the National Basic Research Program of China 11CBA00300, 2011CBA00301, National Natural Science Foundation of China 11374178, 11574002. Basic Science Research Program of Korea NRF-2015R1A6A3A04059773.

Study of the interaction of potassium ion channel protein with micelle by molecular dynamics simulation

Science.gov (United States)

Shantappa, Anil; Talukdar, Keka

2018-04-01

Ion channels are proteins forming pore inside the body of all living organisms. This potassium ion channel known as KcsA channel and it is found in the each cell and nervous system. Flow of various ions is regulated by the function of the ion channels. The nerve ion channel protein with protein data bank entry 1BL8, which is basically an ion channel protein in Streptomyces Lividans and which is taken up to form micelle-protein system and the system is analyzed by using molecular dynamics simulation. Firstly, ion channel pore is engineered by CHARMM potential and then Micelle-protein system is subjected to molecular dynamics simulation. For some specific micelle concentration, the protein unfolding is observed.

Molecular Mechanisms of Ion-Specific Effects on Proteins

Czech Academy of Sciences Publication Activity Database

Rembert, K. B.; Paterová, Jana; Heyda, Jan; Hilty, Ch.; Jungwirth, Pavel; Cremer, P. S.

2012-01-01

Roč. 134, č. 24 (2012), s. 10039-10046 ISSN 0002-7863 R&D Projects: GA ČR GA203/08/0114 Institutional research plan: CEZ:AV0Z40550506 Keywords : ions * proteins * molecular dynamics * NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 10.677, year: 2012

Chemical effects induced by ion implantation in molecular solids

International Nuclear Information System (INIS)

Foti, G.; Calcagno, L.; Puglisi, O.

1983-01-01

Ion implantation in molecular solids as ice, frozen noble gases, benzene and polymers produces a large amount of new molecules compared to the starting materials. Mass and energy analysis of ejected molecules together with the erosion yield, are discussed for several ion-target combinations at low temperature. The observed phenomena are analyzed in terms of deposited ennergy in electronic and nuclear collisions, for incoming beams, as helium or argon, in the range 10-2000 keV. (orig.)

An in-beam PET system for monitoring ion-beam therapy: test on phantoms using clinical 62 MeV protons

Science.gov (United States)

Camarlinghi, N.; Sportelli, G.; Battistoni, G.; Belcari, N.; Cecchetti, M.; Cirrone, G. A. P.; Cuttone, G.; Ferretti, S.; Kraan, A.; Retico, A.; Romano, F.; Sala, P.; Straub, K.; Tramontana, A.; Del Guerra, A.; Rosso, V.

2014-04-01

Ion therapy allows the delivery of highly conformal dose taking advantage of the sharp depth-dose distribution at the Bragg-peak. However, patient positioning errors and anatomical uncertainties can cause dose distortions. To exploit the full potential of ion therapy, an accurate monitoring system of the ion range is needed. Among the proposed methods to monitor the ion range, Positron Emission Tomography (PET) has proven to be the most mature technique, allowing to reconstruct the β+ activity generated in the patient by the nuclear interaction of the ions, that can be acquired during or after the treatment. Taking advantages of the spatial correlation between positron emitters created along the ions path and the dose distribution, it is possible to reconstruct the ion range. Due to the high single rates generated during the beam extraction, the acquisition of the β+ activity is typically performed after the irradiation (cyclotron) or in between the synchrotron spills. Indeed the single photon rate can be one or more orders of magnitude higher than normal for cyclotron. Therefore, acquiring the activity during the beam irradiation requires a detector with a very short dead time. In this work, the DoPET detector, capable of sustaining the high event rate generated during the cyclotron irradiation, is presented. The capability of the system to acquire data during and after the irradiation will be demonstrated by showing the reconstructed activity for different PMMA irradiations performed using clinical dose rates and the 62 MeV proton beam at the CATANA-LNS-INFN. The reconstructed activity widths will be compared with the results obtained by simulating the proton beam interaction with the FLUKA Monte Carlo. The presented data are in good agreement with the FLUKA Monte Carlo.

An in-beam PET system for monitoring ion-beam therapy: test on phantoms using clinical 62 MeV protons

International Nuclear Information System (INIS)

Camarlinghi, N; Sportelli, G; Belcari, N; Cecchetti, M; Ferretti, S; Kraan, A; Retico, A; Straub, K; Guerra, A Del; Rosso, V; Battistoni, G; Sala, P; Cirrone, G A P; Cuttone, G; Romano, F; Tramontana, A

2014-01-01

Ion therapy allows the delivery of highly conformal dose taking advantage of the sharp depth-dose distribution at the Bragg-peak. However, patient positioning errors and anatomical uncertainties can cause dose distortions. To exploit the full potential of ion therapy, an accurate monitoring system of the ion range is needed. Among the proposed methods to monitor the ion range, Positron Emission Tomography (PET) has proven to be the most mature technique, allowing to reconstruct the β + activity generated in the patient by the nuclear interaction of the ions, that can be acquired during or after the treatment. Taking advantages of the spatial correlation between positron emitters created along the ions path and the dose distribution, it is possible to reconstruct the ion range. Due to the high single rates generated during the beam extraction, the acquisition of the β + activity is typically performed after the irradiation (cyclotron) or in between the synchrotron spills. Indeed the single photon rate can be one or more orders of magnitude higher than normal for cyclotron. Therefore, acquiring the activity during the beam irradiation requires a detector with a very short dead time. In this work, the DoPET detector, capable of sustaining the high event rate generated during the cyclotron irradiation, is presented. The capability of the system to acquire data during and after the irradiation will be demonstrated by showing the reconstructed activity for different PMMA irradiations performed using clinical dose rates and the 62 MeV proton beam at the CATANA-LNS-INFN. The reconstructed activity widths will be compared with the results obtained by simulating the proton beam interaction with the FLUKA Monte Carlo. The presented data are in good agreement with the FLUKA Monte Carlo

Evidence for the formation of acyclic ions from the radical cations and cyclic ions from the protonated molecules of ¿,¿-diamines upon loss of ammonia

NARCIS (Netherlands)

Fernandes, Ana M.; Correia, A.J. Ferrer; Fokkens, R.H.; Nibbering, N.M.M.

2002-01-01

The structural characterization of the ions generated by the electron ionization-induced loss of ammonia from the molecular ions of α,ω-diamines, using ion/molecule reactions in combination with collision-induced dissociation (CID) studies, is described. The results of the experiments of

Enhancement of proton transfer in ion channels by membrane phosphate headgroups.

Science.gov (United States)

Wyatt, Debra L; de Godoy, Carlos Marcelo G; Cukierman, Samuel

2009-05-14

The transfer of protons (H+) in gramicidin (gA) channels is markedly distinct in monoglyceride and phospholipid membranes. In this study, the molecular groups that account for those differences were investigated using a new methodology. The rates of H+ transfer were measured in single gA channels reconstituted in membranes made of plain ceramides or sphingomyelins and compared to those in monoglyceride and phospholipid bilayers. Single-channel conductances to protons (gH) were significantly larger in sphingomyelin than in ceramide membranes. A novel and unsuspected finding was that H+ transfer was heavily attenuated or completely blocked in ceramide (but not in sphingomyelin) membranes in low-ionic-strength solutions. It is reasoned that H-bond dynamics at low ionic strengths between membrane ceramides and gA makes channels dysfunctional. The rate of H+ transfer in gA channels in ceramide membranes is significantly higher than that in monoglyceride bilayers. This suggests that solvation of the hydrophobic surface of gA channels by two acyl chains in ceramides stabilizes the gA channels and the water wire inside the pore, leading to an enhancement of H+ transfer in relation to that occurring in monoglyceride membranes. gH values in gA channels are similar in ceramide and monoglyceride bilayers and in sphingomyelin and phospholipid membranes. It is concluded that phospho headgroups in membranes have significant effects on the rate of H+ transfer at the membrane gA channel/solution interfaces, enhancing the entry and exit rates of protons in channels.

Theoretical study of a neutral, doubly protonated, and doubly deprotonated porphyrin dithiolate used as a molecular switch

International Nuclear Information System (INIS)

Girard, Yvan; Kondo, Masakazu; Yoshizawa, Kazunari

2006-01-01

The zero-bias conductance of the neutral, doubly protonated, and doubly deprotonated porphyrin molecules used as molecular junctions between gold electrodes is investigated by using a Green's function formalism combined with density functional theory calculations. The probability for an electron to scatter through the porphyrin is predicted to be significantly increased by the protonation or the deprotonation, and the molecule could be used as a switch controlled by the pH. The shapes and energies of the frontier orbitals are used to rationalize these results

Molecular analysis of carbon ion-induced mutations in Arabidopsis thaliana

International Nuclear Information System (INIS)

Shikazono, Naoya; Tanaka, Atsushi; Watanabe, Hiroshi; Tano, Shigemitsu; Yokota, Yukihiko

1998-01-01

In order to elucidate the characteristics of the mutations induced by ion particles at the molecular level in plants, mutated loci in carbon ion-induced mutants of Arabidopsis were investigated by PCR and Southern blot analyses. In the present study, two lines of gl1 mutant and two lines of tt4 mutant were isolated after carbon ion-irradiation. Out of four mutants, one had a deletion, other two contained rearrangements, and one had a point-like mutation. From the present result, it was suggested that ion particles induced different kinds of alterations of the DNA and therefore they could produce various types of mutant alleles in plants. (author)

Distribution uniformity of laser-accelerated proton beams

Science.gov (United States)

Zhu, Jun-Gao; Zhu, Kun; Tao, Li; Xu, Xiao-Han; Lin, Chen; Ma, Wen-Jun; Lu, Hai-Yang; Zhao, Yan-Ying; Lu, Yuan-Rong; Chen, Jia-Er; Yan, Xue-Qing

2017-09-01

Compared with conventional accelerators, laser plasma accelerators can generate high energy ions at a greatly reduced scale, due to their TV/m acceleration gradient. A compact laser plasma accelerator (CLAPA) has been built at the Institute of Heavy Ion Physics at Peking University. It will be used for applied research like biological irradiation, astrophysics simulations, etc. A beamline system with multiple quadrupoles and an analyzing magnet for laser-accelerated ions is proposed here. Since laser-accelerated ion beams have broad energy spectra and large angular divergence, the parameters (beam waist position in the Y direction, beam line layout, drift distance, magnet angles etc.) of the beamline system are carefully designed and optimised to obtain a radially symmetric proton distribution at the irradiation platform. Requirements of energy selection and differences in focusing or defocusing in application systems greatly influence the evolution of proton distributions. With optimal parameters, radially symmetric proton distributions can be achieved and protons with different energy spread within ±5% have similar transverse areas at the experiment target. Supported by National Natural Science Foundation of China (11575011, 61631001) and National Grand Instrument Project (2012YQ030142)

Electron collisions and internal excitation in stored molecular ion beams

International Nuclear Information System (INIS)

Buhr, H.

2006-01-01

In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He + 2 . The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He + 2 , which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD + is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

Electron collisions and internal excitation in stored molecular ion beams

Energy Technology Data Exchange (ETDEWEB)

Buhr, H.

2006-07-26

In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He{sup +}{sub 2}. The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He{sup +}{sub 2}, which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD{sup +} is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

A controllable molecular sieve for Na+ and K+ ions.

Science.gov (United States)

Gong, Xiaojing; Li, Jichen; Xu, Ke; Wang, Jianfeng; Yang, Hui

2010-02-17

The selective rate of specific ion transport across nanoporous material is critical to biological and nanofluidic systems. Molecular sieves for ions can be achieved by steric and electrical effects. However, the radii of Na(+) and K(+) are quite similar; they both carry a positive charge, making them difficult to separate. Biological ionic channels contain precisely arranged arrays of amino acids that can efficiently recognize and guide the passage of K(+) or Na(+) across the cell membrane. However, the design of inorganic channels with novel recognition mechanisms that control the ionic selectivity remains a challenge. We present here a design for a controllable ion-selective nanopore (molecular sieve) based on a single-walled carbon nanotube with specially arranged carbonyl oxygen atoms modified inside the nanopore, which was inspired by the structure of potassium channels in membrane spanning proteins (e.g., KcsA). Our molecular dynamics simulations show that the remarkable selectivity is attributed to the hydration structure of Na(+) or K(+) confined in the nanochannels, which can be precisely tuned by different patterns of the carbonyl oxygen atoms. The results also suggest that a confined environment plays a dominant role in the selectivity process. These studies provide a better understanding of the mechanism of ionic selectivity in the KcsA channel and possible technical applications in nanotechnology and biotechnology, including serving as a laboratory-in-nanotube for special chemical interactions and as a high-efficiency nanodevice for purification or desalination of sea and brackish water.

Study of the energetic proton production in relativistic heavy ions Ne + nuclei collisions, using Diogene detector. Hadronic matter temperature

International Nuclear Information System (INIS)

Rahmani, A.

1988-12-01

The study of the proton's production differential cross sections, in the collision of relativistic heavy ions, allows to obtain the nuclear-matter temperature and gives information about the nucleons large burst pulses in the nucleus. The chosen thermodynamic model is a generalized approach of the R. Hagedorn model, applied to heavy ions collisions: the nuclear matter is divided in volume elements δV assumed to be in thermal and chemical equilibrium and emitting particles and fragments isotropically, inside their own system. The applied nuclear-matter velocity distribution depended only on the impact parameter and on the relationship between the chemical potential and the temperature. The predictions of this thermodynamic model were compared to the Saturne experimental results, using Diogene detector. The obtained temperature values are similar to those given by D. Hahn and H. Stoker. The proton production cross sections were measured for backward emitting angles. A relationship between the cross sections and the burst pulse distribution in the nuclei was settled [fr

Inelastic surface collisions and the desorption of massive molecular ions

Energy Technology Data Exchange (ETDEWEB)

Macfarlane, R D [Texas A and M Univ., College Station (USA). Dept. of Chemistry

1983-01-01

The interaction of high energy ions in the region of electronic stopping (1 MeV u/sup -1/) stimulates the desorption of massive molecular ions of biomolecules such as insulin. The experimental details of the measurements are given with some examples of application for analytical mass spectrometry. Studies on the role of the incident ion (accelerator beam experiments) are reviewed as well as the contribution of the matrix to the desorption-ionization process. How the electronic relaxation process couples to desorption-ionization is a central question in understanding the overall mechanism of the process.

Molecular modeling of the conductivity changes of the emeraldine base polyaniline due to protonic acid doping

NARCIS (Netherlands)

Chen, X.; Yuan, C.A.; Wong, C.K.Y.; Zhang, G.

2012-01-01

We propose a molecular modeling strategy, which is capable of predicting the conductivity change of emeraldine base polyaniline polymer due to different degree of protonic acid doping. The method is comprised of two key steps: (1) generating the amorphous unit cells with given number of polymer

Solvation of ions in the gas-phase: a molecular dynamics simulation

Science.gov (United States)

Cabarcos, Orlando M.; Lisy, James M.

1996-07-01

Molecular dynamics simulations have been performed on the collision between a cesium ion and a cluster of twenty methanol molecules. This process, generating a solvated ion, was studied over a range (1 to 25 eV) of eight collision energies. Preliminary analysis of this gas phase solvation has included the distribution of final ion cluster sizes, fragmentation patterns, solvation timescales and energetics. Two distinct patterns have emerged: a ballistic penetration of the neutral cluster at the higher collision energies and an evaporative evolution of the cluster ion at lower collision energies.

Chemical freeze-out study in proton-proton collisions at RHIC and LHC energies

International Nuclear Information System (INIS)

Das, Sabita; Mishra, Debadeepti; Mohanty, Bedangadas; Chatterjee, Sandeep

2016-01-01

Particle multiplicities measured at Relativistic Heavy Ion Collider (RHIC) and Large Hadron Collider (LHC) facilities can be used to understand the chemical freeze-out dynamics. At chemical freeze-out (CFO), inelastic collisions cease and the freeze-out parameters can be determined using measured particle multiplicities within the framework of a statistical model. The statistical model has proven to be quite successful in describing the particle production from elementary p-p and e"+e"- collisions up to heavy-ion collisions. It helps to do a systematic study of the centrality and energy dependence of freeze-out parameters in heavy-ion collisions from lower SPS to higher LHC energies. The new data at LHC along with the RHIC data can be used to do such a systematic study in proton-proton collisions

Boron lattice location in room temperature ion implanted Si crystal

International Nuclear Information System (INIS)

Piro, A.M.; Romano, L.; Mirabella, S.; Grimaldi, M.G.

2005-01-01

The B lattice location in presence of a Si-self-interstitial (I Si ) supersaturation, controlled by energetic proton bombardment, has been studied by means of ion channelling and massive Monte Carlo simulations. B-doped layers of Si crystals with a B concentration of 1 x 10 2 B/cm 3 were grown by Molecular Beam Epitaxy. Point defect engineering techniques, with light energetic ion implants, have been applied to generate an I Si uniform injection in the electrically active layer. The displacement of B atoms out of substitutional lattice sites was induced by 650 keV proton irradiations at room temperature (R.T.) and the resultant defect configuration was investigated by ion channelling and Nuclear Reaction Analysis (NRA) techniques. Angular scans were measured both through and axes along the (1 0 0) plane using the 11 B(p,α) 8 Be nuclear reaction at 650 keV proton energy. Monte Carlo simulated angular scans were calculated considering a variety of theoretical defect configurations, supported by literature, and compared with experimental data. Our experimental scans can be fitted by a linear combination of small (0.3 A) and large B displacements (1.25 A) along the direction, compatible with the B-dumbbell oriented along as proposed by ab initio calculations

Measurement of the density profile of pure and seeded molecular beams by femtosecond ion imaging

NARCIS (Netherlands)

Meng, C.; Janssen, M.H.M.

2015-01-01

Here, we report on femtosecond ion imaging experiments to measure the density profile of a pulsed supersonic molecular beam. Ion images are measured for both a molecular beam and bulk gas under identical experimental conditions via femtosecond multiphoton ionization of Xe atoms. We report the

Quencher-free molecular beacon tethering 7-hydroxycoumarin detects targets through protonation/deprotonation.

Science.gov (United States)

Kashida, Hiromu; Yamaguchi, Kyohei; Hara, Yuichi; Asanuma, Hiroyuki

2012-07-15

In this study, we synthesized a simple but efficient quencher-free molecular beacon tethering 7-hydroxycoumarin on D-threoninol based on its pK(a) change. The pK(a) of 7-hydroxycoumarin in a single strand was determined as 8.8, whereas that intercalated in the duplex was over 10. This large pK(a) shift (more than 1.2) upon hybridization could be attributed to the anionic and hydrophobic microenvironment inside the DNA duplex. Because 7-hydroxycoumarin quenches its fluorescence upon protonation, the emission intensity of the duplex at pH 8.5 was 1/15 that of the single strand. We applied this quenching mechanism to the preparation of a quencher-free molecular beacon by introducing the dye into the middle of the stem part. In the absence of the target, the stem region formed a duplex and fluorescence was quenched. However, when the target was added, the molecular beacon opened and the dye was deprotonated. As a result, the emission intensity of the molecular beacon with the target was 10 times higher than that without the target. Accordingly, a quencher-free molecular beacon utilizing the pK(a) change was successfully developed. Copyright © 2012 Elsevier Ltd. All rights reserved.

Semiconductors Under Ion Radiation: Ultrafast Electron-Ion Dynamics in Perfect Crystals and the Effect of Defects

Science.gov (United States)

Lee, Cheng-Wei; Schleife, André

Stability and safety issues have been challenging difficulties for materials and devices under radiation such as solar panels in outer space. On the other hand, radiation can be utilized to modify materials and increase their performance via focused-ion beam patterning at nano-scale. In order to grasp the underlying processes, further understanding of the radiation-material and radiation-defect interactions is required and inevitably involves the electron-ion dynamics that was traditionally hard to capture. By applying Ehrenfest dynamics based on time-dependent density functional theory, we have been able to perform real-time simulation of electron-ion dynamics in MgO and InP/GaP. By simulating a high-energy proton penetrating the material, the energy gain of electronic system can be interpreted as electronic stopping power and the result is compared to existing data. We also study electronic stopping in the vicinity of defects: for both oxygen vacancy in MgO and interface of InP/GaP superlattice, electronic stopping shows strong dependence on the velocity of the proton. To study the energy transfer from electronic system to lattice, simulations of about 100 femto-seconds are performed and we analyze the difference between Ehrenfest and Born-Oppenheimer molecular dynamics.

Viscosity of bound water and model of proton relaxation in fine-dispersed substances at the presence of adsorbed paramagnetic ions

International Nuclear Information System (INIS)

Fedodeev, V.I.

1975-01-01

A microviscosity model of proton relaxation in pure liquids and in solutions of paramagnetic ions is examined. It is shown that the influence of adsorbed paramagnetic centers on proton relaxation in finely dispersed substances is significantly weaker than in solutions. A 'two-phase' relaxation model is used in determining the parameters of the bound liquid (water) using nuclear magnetic resonance data. The relations obtained with the model are used to compute the viscosity of water in clay. The value is of the same order of magnitude as that obtained by other methods

Viscosity of bound water and model of proton relaxation in fine-dispersed substances at the presence of adsorbed paramagnetic ions

Energy Technology Data Exchange (ETDEWEB)

Fedodeev, V I

1975-09-01

A microviscosity model of proton relaxation in pure liquids and in solutions of paramagnetic ions is examined. It is shown that the influence of adsorbed paramagnetic centers on proton relaxation in finely dispersed substances is significantly weaker than in solutions. A 'two-phase' relaxation model is used in determining the parameters of the bound liquid (water) using nuclear magnetic resonance data. The relations obtained with the model are used to compute the viscosity of water in clay. The value is of the same order of magnitude as that obtained by other methods.

Experimental investigation of the formation of negative hydrogen ions in collisions between positive ions and atomic or molecular targets

International Nuclear Information System (INIS)

Lattouf, Elie

2013-01-01

The formation of the negative hydrogen ion (H - ) in collisions between a positive ion and a neutral atomic or molecular target is studied experimentally at impact energies of a few keV. The doubly-differential cross sections for H - formation are measured as a function of the kinetic energy and emission angle for the collision systems OH + + Ar and O + + H 2 O at 412 eV/a.m.u. These H - ions can be emitted at high energies (keV) in hard quasi-elastic two-body collisions involving a large momentum transfer to the H center. However, H - anions are preferentially emitted at low energy (eV) due to soft many-body (≥ 2) collisions resulting in a low momentum transfer. The formation of H - ions by electron capture follows excitation or ionization of the molecule. The molecular fragmentation dynamics is modeled to simulate the emission of H - ions. The overall good agreement between the simulation and the experiment leads to the understanding of most of the experimental observations. (author) [fr

Proton-transfer reactions in ionized gases

International Nuclear Information System (INIS)

Stiller, W.; Schmidt, R.; Schuster, R.

1985-01-01

Ion-molecule reactions play an important role in various radiolytic processes, e.g. gas-pulse radiolysis, environmental research. For a discussion of mechanisms rate coefficients have to be assessed. Here gas-phase rate coefficients of ion-(polar) molecule reactions are calculated using the ideas of interaction potentials, reactive cross-sections and distribution functions of the translational energies of both the reactants (ions I, molecules M). The starting point of our approach, directed especially to gas-phase proton-transfer reactions, is the idea that the rate coefficient k can be calculated as an ion-molecule capture-rate coefficient multiplied by a 'steric factor' representing the probability for proton transfer. Mutual capture of the reaction partners within a possible reaction zone is caused by the physical interaction between an ion and a polar molecule. A model is discussed. Results are presented. (author)

Development of a Submillimeter Multipass Spectrometer for the Study of Molecular Ions

Science.gov (United States)

Carroll, A.; Rocher, B.; Laas, J. C.; Deprince, B. A.; Hays, B.; Weaver, S. L. Widicus; Lang, S.

2012-06-01

We have developed a multipass spectrometer for the submillimeter spectral region that is being used to study molecular ions through gas phase spectroscopy. The optical configuration is based on the design of Perry and coworkers that was implemented in the optical regime. To our knowledge, this is the first implementation of this optical configuration at long wavelengths. The setup involves two nearly concentric spherical mirrors that focus the multiple beam passes into a small area, or ``waist'', in the middle of the sample chamber. A supersonic molecular beam is coupled to the setup so that the molecular beam crosses the optical path at the waist. Initial studies have focused on neutral test molecules to probe the physical properties of the molecular beam under various arrangements of the molecular source relative to the optical path. Current studies focus on coupling a plasma discharge source to the setup to enable the study of molecular ions. Here we present the design of this instrument, compare the spectrometer capabilities to a traditional single pass spectrometer, and discuss the results of initial spectroscopic studies.

MeV single-ion beam irradiation of mammalian cells using the Surrey vertical nanobeam, compared with broad proton beam and X-ray irradiations

Energy Technology Data Exchange (ETDEWEB)

Prakrajang, K. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Faculty of Science, Maejo University, Chiang Mai 50290 (Thailand); Jeynes, J.C.G.; Merchant, M.J.; Kirkby, K.; Kirkby, N. [Surrey Ion Beam Center, Faculty of Engineering and Physical Science, University of Surrey, Guildford Surrey, GU2 7XH (United Kingdom); Thopan, P. [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Yu, L.D., E-mail: yuld@fnrf.science.cmu.ac.th [Plasma and Beam Physics Research Facility, Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics, Commission on Higher Education, 328 Si Ayutthaya Road, Bangkok 10400 (Thailand)

2013-07-15

Highlights: •Recently completed nanobeam at the Surrey Ion Beam Centre was used. •3.8-MeV single and broad proton beams irradiated Chinese hamster cells. •Cell survival curves were measured and compared with 300-kV X-ray irradiation. •Single ion irradiation had a lower survival part at ultra-low dose. •It implies hypersensitivity, bystander effect and cell cycle phase of cell death. -- Abstract: As a part of a systematic study on mechanisms involved in physical cancer therapies, this work investigated response of mammalian cells to ultra-low-dose ion beam irradiation. The ion beam irradiation was performed using the recently completed nanobeam facility at the Surrey Ion Beam Centre. A scanning focused vertical ion nano-beam was applied to irradiate Chinese hamster V79 cells. The V79 cells were irradiated in two different beam modes, namely, focused single ion beam and defocused scanning broad ion beam of 3.8-MeV protons. The single ion beam was capable of irradiating a single cell with a precisely controlled number of the ions to extremely low doses. After irradiation and cell incubation, the number of surviving colonies as a function of the number of the irradiating ions was measured for the cell survival fraction curve. A lower survival for the single ion beam irradiation than that of the broad beam case implied the hypersensitivity and bystander effect. The ion-beam-induced cell survival curves were compared with that from 300-kV X-ray irradiation. Theoretical studies indicated that the cell death in single ion irradiation mainly occurred in the cell cycle phases of cell division and intervals between the cell division and the DNA replication. The success in the experiment demonstrated the Surrey vertical nanobeam successfully completed.

Nonlinear effects in defect production by atomic and molecular ion implantation

International Nuclear Information System (INIS)

David, C.; Dholakia, Manan; Chandra, Sharat; Nair, K. G. M.; Panigrahi, B. K.; Amirthapandian, S.; Amarendra, G.; Varghese Anto, C.; Santhana Raman, P.; Kennedy, John

2015-01-01

This report deals with studies concerning vacancy related defects created in silicon due to implantation of 200 keV per atom aluminium and its molecular ions up to a plurality of 4. The depth profiles of vacancy defects in samples in their as implanted condition are carried out by Doppler broadening spectroscopy using low energy positron beams. In contrast to studies in the literature reporting a progressive increase in damage with plurality, implantation of aluminium atomic and molecular ions up to Al 3 , resulted in production of similar concentration of vacancy defects. However, a drastic increase in vacancy defects is observed due to Al 4 implantation. The observed behavioural trend with respect to plurality has even translated to the number of vacancies locked in vacancy clusters, as determined through gold labelling experiments. The impact of aluminium atomic and molecular ions simulated using MD showed a monotonic increase in production of vacancy defects for cluster sizes up to 4. The trend in damage production with plurality has been explained on the basis of a defect evolution scheme in which for medium defect concentrations, there is a saturation of the as-implanted damage and an increase for higher defect concentrations

Pair angular correlations for pions, kaons and protons in proton-proton collisions in ALICE

CERN Document Server

Zaborowska, Anna

2014-01-01

This thesis presents the correlation functions in $\\Delta\\eta\\, \\Delta\\phi$ space for pairs of pions, kaons and protons. The studies were carried out on the set of proton-proton collisions at the centre-of-mass energy $\\sqrt{s}$ = 7 TeV, obtained in ALICE, A Large Ion Collider Experiment at CERN, the European Organization for Nuclear Research. The analysis was performed for two charge combinations (like-sign pairs and unlike-sign pairs) as well as for three multiplicity ranges. Angular correlations are a rich source of information about the elementary particles behaviour. They result in from the interplay of numerous effects, including resonances’ decays, Coulomb interactions and energy and momentum conservation. In case of identical particles quantum statistics needs to be taken into account. Moreover, particles differ in terms of quark content. Kaons, carrying the strange quark obey the strangeness conservation law. In the production of protons baryon number must be conserved. These features are reflected...

Measurements of beam current density and proton fraction of a permanent-magnet microwave ion source

Energy Technology Data Exchange (ETDEWEB)

Waldmann, Ole; Ludewigt, Bernhard [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States)

2011-11-15

A permanent-magnet microwave ion source has been built for use in a high-yield, compact neutron generator. The source has been designed to produce up to 100 mA of deuterium and tritium ions. The electron-cyclotron resonance condition is met at a microwave frequency of 2.45 GHz and a magnetic field strength of 87.5 mT. The source operates at a low hydrogen gas pressure of about 0.15 Pa. Hydrogen beams with a current density of 40 mA/cm{sup 2} have been extracted at a microwave power of 450 W. The dependence of the extracted proton beam fraction on wall materials and operating parameters was measured and found to vary from 45% for steel to 95% for boron nitride as a wall liner material.

Thresholds and Q values of nuclear reactions induced by neutrons, protons, deuterons, tritons, 3He ions, alpha particles, and photons

International Nuclear Information System (INIS)

Howerton, R.J.

1981-01-01

The 1977 Wapstra and Bos nuclear mass data tables were used to derive tables for thresholds and Q values of nuclear reactions induced by neutrons, protons, deuterons, tritons, 3 He ions, alpha particles, and photons. The tables are displayed on microfiche included with the report

Acceleration of cluster and molecular ions by TIARA 3 MV tandem accelerator

CERN Document Server

Saitoh, Y; Tajima, S

2000-01-01

We succeeded in accelerating molecular and cluster ions (B sub 2 sub - sub 4 , C sub 2 sub - sub 1 sub 0 , O sub 2 , Al sub 2 sub - sub 4 , Si sub 2 sub - sub 4 , Cu sub 2 sub - sub 3 , Au sub 2 sub - sub 3 , LiF, and AlO) to MeV energies with high-intensity beam currents by means of a 3 MV tandem accelerator in the TIARA facility. These cluster ions were generated by a cesium sputter-type negative ion source. We tested three types of carbon sputter cathodes in which graphite powder was compressed with different pressures. The pressure difference affected the generating ratio of clusters generated to single atom ions extracted from the source and it appeared that the high-density cathode was suitable. We also investigated the optimum gas pressure for charge exchange in the tandem high-voltage terminal. Clusters of larger size tend to require lower pressure than do smaller ones. In addition, we were able to obtain doubly charged AlO molecular ions. (authors)

Characterization of ion irradiation effects on the microstructure, hardness, deformation and crack initiation behavior of austenitic stainless steel:Heavy ions vs protons

Science.gov (United States)

Gupta, J.; Hure, J.; Tanguy, B.; Laffont, L.; Lafont, M.-C.; Andrieu, E.

2018-04-01

Irradiation Assisted Stress Corrosion Cracking (IASCC) is a complex phenomenon of degradation which can have a significant influence on maintenance time and cost of core internals of a Pressurized Water Reactor (PWR). Hence, it is an issue of concern, especially in the context of lifetime extension of PWRs. Proton irradiation is generally used as a representative alternative of neutron irradiation to improve the current understanding of the mechanisms involved in IASCC. This study assesses the possibility of using heavy ions irradiation to evaluate IASCC mechanisms by comparing the irradiation induced modifications (in microstructure and mechanical properties) and cracking susceptibility of SA 304 L after both type of irradiations: Fe irradiation at 450 °C and proton irradiation at 350 °C. Irradiation-induced defects are characterized and quantified along with nano-hardness measurements, showing a correlation between irradiation hardening and density of Frank loops that is well captured by Orowan's formula. Both irradiations (iron and proton) increase the susceptibility of SA 304 L to intergranular cracking on subjection to Constant Extension Rate Tensile tests (CERT) in simulated nominal PWR primary water environment at 340 °C. For these conditions, cracking susceptibility is found to be quantitatively similar for both irradiations, despite significant differences in hardening and degree of localization.

ACCELERATION OF POLARIZED PROTONS AT RHIC

International Nuclear Information System (INIS)

HUANG, H.

2002-01-01

Relativistic Heavy Ion Collider (RHIC) ended its second year of operation in January 2002 with five weeks of polarized proton collisions. Polarized protons were successfully injected in both RHIC rings and maintained polarization during acceleration up to 100 GeV per ring using two Siberian snakes in each ring. This is the first time that polarized protons have been accelerated to 100 GeV. The machine performance and accomplishments during the polarized proton run will be reviewed. The plans for the next polarized proton run will be outlined

Single-electron analysis and open charm cross section in proton-proton collisions at $\\sqrt{s}$ = 7 TeV

CERN Document Server

Fasel, Markus

The Large Hadron Collider (LHC) at CERN is the world’s highest energy hadron collider, providing protonproton collisions currently at a centre-of-mass energy $\\sqrt{s}$ = 8 TeV and Pb-Pb collisions at $\\sqrt{s_{NN}}$ = 2.76 TeV. This opens a new energy regime, which allows the study of QCD in elementary pp-collisions and in the extreme environment of Pb-Pb collisions, as well as providing a discovery potential for rare and exotic particles. ALICE is the dedicated heavy-ion experiment at the LHC. The experiment is optimised to provide excellent tracking and particle identification capabilities, in particular at low-$p_{t}$, where the bulk of the particles is produced in heavy-ion collisions as well as in proton-proton collisions. The production of heavy quarks is described in proton-proton collisions by next-to-leading order perturbative QCD (pQCD) calculations. Thus, the measurement of heavy-quark production in proton-proton collisions serves as a test of pQCD. Measurements performed at SPS, RHIC, and Tevat...

Experimental Investigation of Impact-Induced Molecular Desorption by 4.2 MeV/u Pb ions

CERN Document Server

Chanel, M; Laurent, Jean Michel; Madsen, N; Mahner, E

2001-01-01

In preparation for the heavy ion program of the LHC, accumulation and cooling test with lead ion beams have been performed in the LEAR storage ring. These tests have revealed that due to the unexpected, large outgassing of the vacuum system, the dynamic pressure of the ring could not be maintained low enough to reach the required beam intensities. To determine the actions necessary to lower the dynamic pressure rise, an experimental program has been initiated for measuring the molecular desorption yields of stainless steel vacuum chambers by the impact of 4.2 MeV/u lead ions with the charge states +27 and +53. The test chambers were exposed either at grazing or at perpendicular incidence. Different surface treatments are reported in terms of the molecular desorption yields for H2, CH4, CO and CO2. Unpexpected large values of molecular yields per incident ion up to 2x104 molecules/ion have been observed. The implications of these results for the vacuum system of the future ion accumulator ring (LEIR) and possi...

Randomised trial of proton vs. carbon ion radiation therapy in patients with low and intermediate grade chondrosarcoma of the skull base, clinical phase III study

International Nuclear Information System (INIS)

Nikoghosyan, Anna V; Rauch, Geraldine; Münter, Marc W; Jensen, Alexandra D; Combs, Stephanie E; Kieser, Meinhard; Debus, Jürgen

2010-01-01

Low and intermediate grade chondrosarcomas are relative rare bone tumours. About 5-12% of all chondrosarcomas are localized in base of skull region. Low grade chondrosarcoma has a low incidence of distant metastasis but is potentially lethal disease. Therefore, local therapy is of crucial importance in the treatment of skull base chondrosarcomas. Surgical resection is the primary treatment standard. Unfortunately the late diagnosis and diagnosis at the extensive stage are common due to the slow and asymptomatic growth of the lesions. Consequently, complete resection is hindered due to close proximity to critical and hence dose limiting organs such as optic nerves, chiasm and brainstem. Adjuvant or additional radiation therapy is very important for the improvement of local control rates in the primary treatment. Proton therapy is the gold standard in the treatment of skull base chondrosarcomas. However, high-LET (linear energy transfer) beams such as carbon ions theoretically offer advantages by enhanced biologic effectiveness in slow-growing tumours. The study is a prospective randomised active-controlled clinical phase III trial. The trial will be carried out at Heidelberger Ionenstrahl-Therapie (HIT) centre as monocentric trial. Patients with skull base chondrosarcomas will be randomised to either proton or carbon ion radiation therapy. As a standard, patients will undergo non-invasive, rigid immobilization and target volume definition will be carried out based on CT and MRI data. The biologically isoeffective target dose to the PTV (planning target volume) in carbon ion treatment will be 60 Gy E ± 5% and 70 Gy E ± 5% (standard dose) in proton therapy respectively. The 5 year local-progression free survival (LPFS) rate will be analysed as primary end point. Overall survival, progression free and metastasis free survival, patterns of recurrence, local control rate and morbidity are the secondary end points. Up to now it was impossible to compare two different

A deterministic electron, photon, proton and heavy ion transport suite for the study of the Jovian moon Europa

International Nuclear Information System (INIS)

Badavi, Francis F.; Blattnig, Steve R.; Atwell, William; Nealy, John E.; Norman, Ryan B.

2011-01-01

A Langley research center (LaRC) developed deterministic suite of radiation transport codes describing the propagation of electron, photon, proton and heavy ion in condensed media is used to simulate the exposure from the spectral distribution of the aforementioned particles in the Jovian radiation environment. Based on the measurements by the Galileo probe (1995-2003) heavy ion counter (HIC), the choice of trapped heavy ions is limited to carbon, oxygen and sulfur (COS). The deterministic particle transport suite consists of a coupled electron photon algorithm (CEPTRN) and a coupled light heavy ion algorithm (HZETRN). The primary purpose for the development of the transport suite is to provide a means to the spacecraft design community to rapidly perform numerous repetitive calculations essential for electron, photon, proton and heavy ion exposure assessment in a complex space structure. In this paper, the reference radiation environment of the Galilean satellite Europa is used as a representative boundary condition to show the capabilities of the transport suite. While the transport suite can directly access the output electron and proton spectra of the Jovian environment as generated by the jet propulsion laboratory (JPL) Galileo interim radiation electron (GIRE) model of 2003; for the sake of relevance to the upcoming Europa Jupiter system mission (EJSM), the JPL provided Europa mission fluence spectrum, is used to produce the corresponding depth dose curve in silicon behind a default aluminum shield of 100 mils (∼0.7 g/cm 2 ). The transport suite can also accept a geometry describing ray traced thickness file from a computer aided design (CAD) package and calculate the total ionizing dose (TID) at a specific target point within the interior of the vehicle. In that regard, using a low fidelity CAD model of the Galileo probe generated by the authors, the transport suite was verified versus Monte Carlo (MC) simulation for orbits JOI-J35 of the Galileo probe

Molecular dynamics in conducting polyaniline protonated by camphor sulfonic acid as seen by quasielastic neutron scattering

International Nuclear Information System (INIS)

Djurado, D.; Combet, J.; Bee, M.; Rannou, P.; Dufour, B.; Pron, A.; Travers, J. P.

2002-01-01

Using incoherent quasielastic neutron scattering techniques, the molecular motions were investigated in fully hydrogenated and partially deuterated polyaniline protonated by camphor sulfonic acid (CSA) conducting samples. The obtained results show that on the 10 -9 -10 -12 s time scale the polymer chains do not exhibit any diffusive motions: the whole observed quasielastic scattering has accordingly to be attributed to motions of CSA ions. From our measurements two molecular movements could be differentiated. A rapid one has been attributed to the three-site rotation of methyl groups present on camphor moieties of CSA and a slower one that has been modeled as a rigid body motion of the whole CSA molecule. Due to the disordered character of the system, the methyl rotors appeared to be dynamically nonequivalent. Their dynamics was then described in terms of a log gaussian distribution of correlation times. This description allowed a good fitting of experimental data and gave an activation energy of 12.5 kJ mol-1. However, two different regimes in temperature could be distinguished. At high temperatures (T>280 K) the width of the distribution is nearly zero and thus, the methyl rotors are dynamically equivalent while it turned larger and larger when temperature is decreased below 250 K revealing that the rotors are more and more sensitive to their local environment. In the conducting samples the slowest motion clearly exists in the 280-330 K temperature range and is blocked at temperatures inferior to 250 K. This transition occurs in the temperature range in which the metal-insulator transition also happens

Assessment of Early Toxicity and Response in Patients Treated With Proton and Carbon Ion Therapy at the Heidelberg Ion Therapy Center Using the Raster Scanning Technique

Energy Technology Data Exchange (ETDEWEB)

Rieken, Stefan; Habermehl, Daniel; Nikoghosyan, Anna; Jensen, Alexandra [Department of Radiation Oncology, University Hospital of Heidelberg, Heidelberg (Germany); Haberer, Thomas [Heidelberg Ion Therapy Center, Heidelberg (Germany); Jaekel, Oliver [Heidelberg Ion Therapy Center, Heidelberg (Germany); Department of Medical Physics, German Cancer Research Center (DKFZ), Heidelberg (Germany); Muenter, Marc W.; Welzel, Thomas; Debus, Juergen [Department of Radiation Oncology, University Hospital of Heidelberg, Heidelberg (Germany); Combs, Stephanie E., E-mail: Stephanie.Combs@med.uni-hedielberg.de [Department of Radiation Oncology, University Hospital of Heidelberg, Heidelberg (Germany)

2011-12-01

Puropose: To asses early toxicity and response in 118 patients treated with scanned ion beams to validate the safety of intensity-controlled raster scanning at the Heidelberg Ion Therapy Center. Patients and Methods: Between November 2009 and June 2010, we treated 118 patients with proton and carbon ion radiotherapy (RT) using active beam delivery. The main indications included skull base chordomas and chondrosarcomas, salivary gland tumors, and gliomas. We evaluated early toxicity within 6 weeks after RT and the initial clinical and radiologic response for quality assurance in our new facility. Results: In all 118 patients, few side effects were observed, in particular, no high numbers of severe acute toxicity were found. In general, the patients treated with particle therapy alone showed only a few single side effects, mainly Radiation Therapy Oncology Group/Common Terminology Criteria grade 1. The most frequent side effects and cumulative incidence of single side effects were observed in the head-and-neck patients treated with particle therapy as a boost and photon intensity-modulated RT. The toxicities included common radiation-attributed reactions known from photon RT, including mucositis, dysphagia, and skin erythema. The most predominant imaging responses were observed in patients with high-grade gliomas and those with salivary gland tumors. For skull base tumors, imaging showed a stable tumor outline in most patients. Thirteen patients showed improvement of pre-existing clinical symptoms. Conclusions: Side effects related to particle treatment were rare, and the overall tolerability of the treatment was shown. The initial response was promising. The data have confirmed the safe delivery of carbon ions and protons at the newly opened Heidelberg facility.

Collisional transfer of electrons to the continuum of atomic and molecular ions

International Nuclear Information System (INIS)

Gonzalez Lepera, C.E.

1983-01-01

The aim of this study was the systematic investigation of the differences that appear in the peaks of distribution of doubly differential (in angle an energy) 'convoy' electrons, when comparing spectra obtained by bombarding thin carbon foils with atomic (H + ) and molecular (H 2 + ) projectiles of equal velocity. The measurements show that the production yield of such electrons is inversely propotional to the ion dwell time in the solid. For long times, the yield ratio fluctuates around the unity value, and the amplitude of this dispersion decreases for longer times. A higher yield is measured for (H 2 + ), but only near the peak cusp. The double differential cross section (DDCS) for electron capture is calculated in second order Born approximation. A transition from a 1s state to the continuum of two correlated protons as a function of their internuclear distance R is considered. As R decreases from approx. 0.5 atomic units towards zero, the DDCS value increases from that corresponding to the atomic projectil (Z=1) limit to the united atom value (Z=2). It is found that, the higher the projectil velocity, the better is the DDCS value agreement with both limits. The equipment used by the author is described. (M.E.L.) [es

Multiparticle 3D imaging technique to study the structure of molecular ions

International Nuclear Information System (INIS)

Koenig, W.; Faibis, A.; Kanter, E.P.; Vager, Z.; Zabransky, B.J.

1984-01-01

When energetic molecular ions (E/sub ion/ = 0.1 to 0.5 MeV/amu) pass through thin solid targets a Coulomb explosion ensues due to the rapid (approx. 10 -17 s) stripping of the valence electrons. This process has been successfully used to derive stereochemical information on diatomic and on selected triatomic ions. In order to investigate more complex molecular ions as well as to obtain more accurate and detailed structure information, a large area, multiparticle, position- and time-sensitive detector has been developed to detect all atomic fragments in coincidence. The requirement of multiparticle detection independent of the relative particle positions leads to a rather complex data-readout and -reduction system containing approx. 650 analog-to-digital conversions per event. The system relies heavily on techniques developed for high energy physics experiments during recent years. The single event resolution of the apparatus with respect to bond-lengths and -angles has been studied by Monte Carlo simulations and is typically a few percent

Rotational laser cooling of vibrationally and translationally cold molecular ions

DEFF Research Database (Denmark)

Staanum, Peter; Højbjerre, Klaus; Skyt, Peter Sandegaard

2010-01-01

Stationary molecules in well-defined internal states are of broad interest for physics and chemistry. In physics, this includes metrology 1, 2, 3 , quantum computing 4, 5 and many-body quantum mechanics 6, 7 , whereas in chemistry, state-prepared molecular targets are of interest for uni......-molecular reactions with coherent light fields 8, 9 , for quantum-state-selected bi-molecular reactions 10, 11, 12 and for astrochemistry 12 . Here, we demonstrate rotational ground-state cooling of vibrationally and translationally cold MgH+ ions, using a laser-cooling scheme based on excitation of a single...

WE-FG-BRB-04: RBEs for Human Lung Cancer Cells Exposed to Protons and Heavier Ions: Implications for Clinical Use of Charged Particles in Cancer Therapy

Energy Technology Data Exchange (ETDEWEB)

Held, K. [Massachusetts General Hospital (United States)

2016-06-15

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to

Laser induced fluorescence of trapped molecular ions

International Nuclear Information System (INIS)

Winn, J.S.

1980-10-01

Laser induced fluoresence (LIF) spectra (laser excitation spectra) are conceptually among the most simple spectra to obtain. One need only confine a gaseous sample in a suitable container, direct a laser along one axis of the container, and monitor the sample's fluorescence at a right angle to the laser beam. As the laser wavelength is changed, the changes in fluorescence intensity map the absorption spectrum of the sample. (More precisely, only absorption to states which have a significant radiative decay component are monitored.) For ion spectroscopy, one could benefit in many ways by such an experiment. Most optical ion spectra have been observed by emission techniques, and, aside from the problems of spectral analysis, discharge emission methods often produce the spectra of many species, some of which may be unknown or uncertain. Implicit in the description of LIF given above is certainty as to the chemical identity of the carrier of the spectrum. This article describes a method by which the simplifying aspects of LIF can be extended to molecular ions

Ion Flux Measurements in Electron Beam Produced Plasmas in Atomic and Molecular Gases

Science.gov (United States)

Walton, S. G.; Leonhardt, D.; Blackwell, D. D.; Murphy, D. P.; Fernsler, R. F.; Meger, R. A.

2001-10-01

In this presentation, mass- and time-resolved measurements of ion fluxes sampled from pulsed, electron beam-generated plasmas will be discussed. Previous works have shown that energetic electron beams are efficient at producing high-density plasmas (10^10-10^12 cm-3) with low electron temperatures (Te < 1.0 eV) over the volume of the beam. Outside the beam, the plasma density and electron temperature vary due, in part, to ion-neutral and electron-ion interactions. In molecular gases, electron-ion recombination plays a significant role while in atomic gases, ion-neutral interactions are important. These interactions also determine the temporal variations in the electron temperature and plasma density when the electron beam is pulsed. Temporally resolved ion flux and energy distributions at a grounded electrode surface located adjacent to pulsed plasmas in pure Ar, N_2, O_2, and their mixtures are discussed. Measurements are presented as a function of operating pressure, mixture ratio, and electron beam-electrode separation. The differences in the results for atomic and molecular gases will also be discussed and related to their respective gas-phase kinetics.

Study on the conditions of proton beam shaping in the ion source of the AN USSR IYaI meson factory

International Nuclear Information System (INIS)

Esin, S.K.; Yakushev, V.P.; Frolov, O.T.; Polulyakh, V.P.

1981-01-01

The results of measuring proton beam emittance in ion source- duaplasmatron with tungsten-barium direct-heated cathode intended for 750 keV injector of the linear accelerator are presented. The system of ion extraction comprises an expander and extraction grid. Peculiarities of primary beam formation at different configurations of the expander: a) expander in the form of a cylinder, b) comical expander, c) the same conical expander but with a splitter installed behind the anode window and permitting to cut off the central part of plasma flux; ''sectional'' expander made of 5 separated from one another similar metal rings of 16 mm height fixed in the cylinder made of insulator, are studied. The diameter of the duaplasmatron window equals 0.8 mm. It is shown that beam formation with the help of cylindrical and conical with a splitter expanders meet the requirements of the proton injector and well satisfy the aperture of the channel of the accelerating tube of 54 mm diameter [ru

Production of an intense source of micro-second proton pulses; Recherche d'une intense source de protons pulsee a la micro-seconde