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Sample records for resonance relaxation studies

  1. Resonant dipolar relaxation in poly ( ɛ -caprolactone)—A thermally stimulated depolarization current study

    NASA Astrophysics Data System (ADS)

    Patidar, M. M.; Jain, D.; Nath, R.; Ganesan, V.

    2016-07-01

    Resonant dipolar relaxation in poly( ɛ-caprolactone) (PCL) is reported using thermally stimulated discharge current spectroscopy. PCL is a bio-medically known shape memory polymer having a well defined γ, β, α, and α ' relaxations, respectively, centered around 125 K, 170 K, 220 K, and 270 K as seen by the measurements. By employing a new protocol variable poling temperature at constant freezing temperature, resonant dipolar relaxation in PCL could be induced, especially in the vicinity of α relaxation. Such a protocol is useful in de-convoluting the features in a more meaningful fashion. By an analysis of activation process, we could show a clear contrast enhancement of the dynamics of the participating dipoles by means of a minimum in the activation energies situated around the glass transition region. The relevant parameters of interest such as activation energies and relaxation times are estimated and discussed.

  2. Impurities and electron spin relaxations in nanodiamonds studied by multi-frequency electron spin resonance

    NASA Astrophysics Data System (ADS)

    Cho, Franklin; Takahashi, Susumu

    2014-03-01

    Nano-sized diamond or nanodiamond is a fascinating material for potential applications of fluorescence imaging and magnetic sensing of biological systems via nitrogen-vacancy defect centers in diamonds. Sensitivity of the magnetic sensing strongly depends on coupling to surrounding environmental noises, thus understanding of the environment is critical to realize the application. In the present study, we employ multi-frequency (X-band, 115 GHz and 230 GHz) continuous-wave (cw) and pulsed electron spin resonance (ESR) spectroscopy to investigate impurity contents and spin relaxation properties in various sizes of nanodiamonds. Spectra taken with our home-built 230/115 GHz cw/pulsed ESR spectrometer shows presence of two major impurity contents; single substitutional nitrogen impurities (P1) also common in bulk diamonds and paramagnetic impurities (denoted as X) unique to nanodiamonds. The ESR measurement also shows a strong dependence of the population ratio between P1 and X on particle size. Furthermore, we will discuss the nature of spin-lattice relaxation time T1 of nanodiamonds studied by pulsed ESR measurements at X-band, 115 GHz and 230 GHz.

  3. Probing α-relaxation with nuclear magnetic resonance echo decay and relaxation: a study on nitrile butadiene rubber.

    PubMed

    Sturniolo, Simone; Pieruccini, Marco; Corti, Maurizio; Rigamonti, Attilio

    2013-01-01

    One dimensional (1)H NMR measurements have been performed to probe slow molecular motions in nitrile butadiene rubber (NBR) around its calorimetric glass transition temperature Tg. The purpose is to show how software aided data analysis can extract meaningful dynamical data from these measurements. Spin-lattice relaxation time, free induction decay (FID) and magic sandwich echo (MSE) measurements have been carried out at different values of the static field, as a function of temperature. It has been evidenced how the efficiency of the MSE signal in reconstructing the original FID exhibits a sudden minimum at a given temperature, with a slight dependence from the measuring frequency. Computer simulations performed with the software SPINEVOLUTION have shown that the minimum in the efficiency reconstruction of the MSE signal corresponds to the average motional frequency taking a value around the inter-proton coupling. The FID signals have been fitted with a truncated form of a newly derived exact correlation function for the transverse magnetization of a dipolar interacting spin pair, which allows one to avoid the restriction of the stationary and Gaussian approximations. A direct estimate of the conformational dynamics on approaching the Tg is obtained, and the results are in agreement with the analysis performed via the MSE reconstruction efficiency. The occurrence of a wide distribution of correlation frequencies for the chains motion, with a Vogel-Fulcher type temperature dependence, is addressed. A route for a fruitful study of the dynamics accompanying the glass transition by a variety of NMR measurements is thus proposed. PMID:23379979

  4. T2 relaxation effects on apparent N-acetylaspartate concentration in proton magnetic resonance studies of schizophrenia

    PubMed Central

    Bracken, Bethany K.; Rouse, Elizabeth D.; Renshaw, Perry F.; Olson, David P.

    2013-01-01

    Over the past two decades, many magnetic resonance spectroscopy (MRS) studies reported lower N-acetylaspartate (NAA) in key brain regions of patients with schizophrenia (SZ) compared to healthy subjects. A smaller number of studies report no difference in NAA. Many sources of variance may contribute to these discordant results including heterogeneity of the SZ subject populations and methodological differences such as MRS acquisition parameters, and post-acquisition analytic methods. The current study reviewed proton MRS literature reporting measurements of NAA in SZ with a focus on methodology. Studies which reported lower NAA were significantly more likely to have used longer echo times (TEs), while studies with shorter TEs reported no concentration difference. This suggests that NAA quantitation using MRS was affected by the choice of TE, and that published MRS literature reporting NAA in SZ using a long TE is confounded by apparent differential T2 relaxation effects between SZ and healthy control groups. Future MRS studies should measure T2 relaxation times. This would allow for spectral concentration measurements to be appropriately corrected for these relaxation effects. In addition, as metabolite concentration and T2 relaxation times are completely independent variables, this could offer distinct information about the metabolite of interest. PMID:23769421

  5. Study of anisotropy in nuclear magnetic resonance relaxation times of water protons in skeletal muscle.

    PubMed Central

    Kasturi, S R; Chang, D C; Hazlewood, C F

    1980-01-01

    The anisotropy of the spin-lattice relaxation time (T1) and the spin-spin relaxation times (T2) of water protons in skeletal muscle tissue have been studied by the spin-echo technique. Both T1 and T2 have been measured for the water protons of the tibialis anterior muscle of mature male rats for theta = 0, 55, and 90 degrees, where theta is the orientation of the muscle fiber with respect to the static field. The anisotropy in T1 and T2 has been measured at temperatures of 28, -5 and -10 degrees C. No significant anisotropy was observed in the T1 of the tissue water, while an average anisotropy of approximately 5% was observed in T2 at room temperature. The average anisotropy of T2 at -5 and -10 degrees C was found to be approximately 2 and 1.3%, respectively. PMID:6266530

  6. Diffusion, relaxation, and chemical exchange in casein gels: A nuclear magnetic resonance study

    NASA Astrophysics Data System (ADS)

    Gottwald, Antje; Creamer, Lawrence K.; Hubbard, Penny L.; Callaghan, Paul T.

    2005-01-01

    Water in protein/water mixtures can be described in terms of bound water and free water, by exchange between these two states, and by its exchange with appropriate sites on the protein. 1H-NMR diffusion and relaxation measurements provide insights into the mobility of these states. T2 relaxation-time dispersions (i.e., T2 relaxation times at different echo pulse spacings) reveal additional information about exchange. We present a comprehensive set of diffusion and T2 dispersion measurements on casein gels for which the protein/water ratio ranges from 0.25 to 0.5. The combination of these methods, taken in conjunction with concentration dependence, allows a good estimate of the parameters required to fit the data with Luz/Meiboom and Carver/Richards models for relaxation and chemical exchange. We compare the exchange (a) between water and protein and (b) between free water and bound water. Further, we attempt to distinguish chemical site exchange and diffusion/susceptibility exchange.

  7. Off-resonance rotating frame spin-lattice NMR relaxation studies of phosphorus metabolite rotational diffusion in bovine lens homogenates

    SciTech Connect

    Caines, G.H.; Schleich, T.; Morgan, C.F. ); Farnsworth, P.N. )

    1990-08-21

    The rotational diffusion behavior of phosphorus metabolites present in calf lens cortical and nuclear homogenates was investigated by the NMR technique of {sup 31}P off-resonance rotating frame spin-lattice relaxation as a means of assessing the occurrence and extent of phosphorus metabolite-lens protein interactions. {sup 31}P NMR spectra of calf lens homogenates were obtained at 10 and 18{degree}C at 7.05 T. Effective rotational correlation times ({tau}{sub 0,eff}) for the major phosphorus metabolites present in cortical and nuclear bovine calf lens homogenates were derived from nonlinear least-squares analysis of R vs {omega}{sub e} data with the assumption of isotropic reorientational motion. Intramolecular dipole-dipole ({sup 1}H-{sup 31}P, {sup 31}P-{sup 31}P), chemical shift anisotropy (CSA), and solvent (water) translational intermolecular dipole-dipole ({sup 1}H-{sup 31}P) relaxation contributions were assumed in the analyses. A fast-exchange model between free and bound forms, was employed in the analysis of the metabolite R vs {omega}{sub e} curves to yield the fraction of free (unbound) metabolite ({Theta}{sub free}). The results of this study establish the occurrence of significant temperature-dependent (above and below the cold cataract phase transition temperature) binding of ATP (cortex) and PME (nucleus) and p{sub i} (nucleus) in calf lens.

  8. The reorientation of t-butyl groups in butylated hydroxytoluene: A deuterium nuclear magnetic resonance spectral and relaxation time study

    NASA Astrophysics Data System (ADS)

    Polson, James M.; Fyfe, J. D. Dean; Jeffrey, Kenneth R.

    1991-03-01

    Deuterium nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation times were determined in order to study the dynamics of t-butyl groups in butylated hydroxytoluene. The results are consistent with a model first proposed by Beckmann et al. [J. Magn. Reson. 36, 199 (1979)], where there is an inequivalence between the methyl groups within each t-butyl group. While two methyl groups reorient rapidly relative to the whole t-butyl rotation, the remaining methyl group is more restricted in its motion, reorienting at a rate comparable to that of the t-butyl group itself. The spin-lattice relaxation data show two T1 minima, the high temperature minimum (40 °C) corresponding to the combined t-butyl and ``slow'' methyl rotations, and the low temperature minimum corresponding to ``fast'' methyl group rotation. Using an explicitly defined T1 fitting function, the T1 data yield activation energies of 2.2 and 6.0 kcal/mol for the fast methyl and t-butyl rotations, respectively, both in agreement with Beckmann's values obtained from proton T1 experiments. It was also possible to simulate the low temperature deuterium NMR spectra from T=-160 °C to T=-80 °C using the aforementioned dynamical inequivalence between the t-butyl methyl groups. While the fast methyl group rotation was in the motional narrowing region for T>-160 °C, it was possible, from the simulations, to determine the t-butyl exchange rates to within 10%. The jump rates are remarkably close to the values predicted from the T1 results. Above -80 °C, the spectra could not be simulated, implying that a third motion must be present to further alter the high temperature line shapes. The effective axial asymmetry of the T>-20° spectra indicates that the additional motion involves a two site exchange.

  9. PREFACE: Muon spin rotation, relaxation or resonance

    NASA Astrophysics Data System (ADS)

    Heffner, Robert H.; Nagamine, Kanetada

    2004-10-01

    To a particle physicist a muon is a member of the lepton family, a heavy electron possessing a mass of about 1/9 that of a proton and a spin of 1/2, which interacts with surrounding atoms and molecules electromagnetically. Since its discovery in 1937, the muon has been put to many uses, from tests of special relativity to deep inelastic scattering, from studies of nuclei to tests of weak interactions and quantum electrodynamics, and most recently, as a radiographic tool to see inside heavy objects and volcanoes. In 1957 Richard Garwin and collaborators, while conducting experiments at the Columbia University cyclotron to search for parity violation, discovered that spin-polarized muons injected into materials might be useful to probe internal magnetic fields. This eventually gave birth to the modern field of muSR, which stands for muon spin rotation, relaxation or resonance, and is the subject of this special issue of Journal of Physics: Condensed Matter. Muons are produced in accelerators when high energy protons (generally >500 MeV) strike a target like graphite, producing pions which subsequently decay into muons. Most experiments carried out today use relatively low-energy (~4 MeV), positively-charged muons coming from pions decaying at rest in the skin of the production target. These muons have 100% spin polarization, a range in typical materials of about 180 mg cm-2, and are ideal for experiments in condensed matter physics and chemistry. Negatively-charged muons are also occasionally used to study such things as muonic atoms and muon-catalysed fusion. The muSR technique provides a local probe of internal magnetic fields and is highly complementary to inelastic neutron scattering and nuclear magnetic resonance, for example. There are four primary muSR facilities in the world today: ISIS (Didcot, UK), KEK (Tsukuba, Japan), PSI (Villigen, Switzerland) and TRIUMF (Vancouver, Canada), serving about 500 researchers world-wide. A new facility, JPARC (Tokai, Japan

  10. PREFACE: Muon spin rotation, relaxation or resonance

    NASA Astrophysics Data System (ADS)

    Heffner, Robert H.; Nagamine, Kanetada

    2004-10-01

    To a particle physicist a muon is a member of the lepton family, a heavy electron possessing a mass of about 1/9 that of a proton and a spin of 1/2, which interacts with surrounding atoms and molecules electromagnetically. Since its discovery in 1937, the muon has been put to many uses, from tests of special relativity to deep inelastic scattering, from studies of nuclei to tests of weak interactions and quantum electrodynamics, and most recently, as a radiographic tool to see inside heavy objects and volcanoes. In 1957 Richard Garwin and collaborators, while conducting experiments at the Columbia University cyclotron to search for parity violation, discovered that spin-polarized muons injected into materials might be useful to probe internal magnetic fields. This eventually gave birth to the modern field of muSR, which stands for muon spin rotation, relaxation or resonance, and is the subject of this special issue of Journal of Physics: Condensed Matter. Muons are produced in accelerators when high energy protons (generally >500 MeV) strike a target like graphite, producing pions which subsequently decay into muons. Most experiments carried out today use relatively low-energy (~4 MeV), positively-charged muons coming from pions decaying at rest in the skin of the production target. These muons have 100% spin polarization, a range in typical materials of about 180 mg cm-2, and are ideal for experiments in condensed matter physics and chemistry. Negatively-charged muons are also occasionally used to study such things as muonic atoms and muon-catalysed fusion. The muSR technique provides a local probe of internal magnetic fields and is highly complementary to inelastic neutron scattering and nuclear magnetic resonance, for example. There are four primary muSR facilities in the world today: ISIS (Didcot, UK), KEK (Tsukuba, Japan), PSI (Villigen, Switzerland) and TRIUMF (Vancouver, Canada), serving about 500 researchers world-wide. A new facility, JPARC (Tokai, Japan

  11. Nuclear relaxation rates study of GTP(gamma F)-tubulin interaction using 19F-nuclear magnetic resonance.

    PubMed

    Monasterio, O

    1989-07-01

    To study the relationship between the exchangeable GTP binding site (E-site) and the high affinity metal binding site we synthesized P3-fluoro P1-5'-guanosine tripaosphate (GTP(gamma F), an analog of GTP. Our results show that this analog binds to the exchangeable GTP binding site of calf brain tubulin. The values of the dissociation constant and the stoichiometry of the GTP(gamma F)-Mn(II) complex as determined by EPR spectroscopy were 1.64 x 10(-4) M and one mole of manganese per mole of nucleotide, respectively. The distance separating the high-affinity binding site for the divalent metal ion and the exchangeable nucleotide binding site was evaluated by using high-resolution 19F-NMR. The 31P- and 19F-NMR spectra of GTP(gamma F) were studied, both the fluorine and the gamma-phosphate were split in a doublet with a coupling constant of 936 Hz. Tubulin purified by the method of Weisenberg (Weisenberg, R.C., and Timashef, S.N. (1970) Biochemistry 9, 4110-4116) was treated with colchicine to stabilize it, GTP(gamma F) was added and the 254.1 MHz 19fluorine relaxation rates measured within the first four hours. Longitudinal and transversal relaxation rates were determined in the presence of colchicine-tubulin-Mn(II), (paramagnetic complex), or the ternary complex with magnesium (diamagnetic complex). The analysis of the temperature-dependent relaxation data indicates that the metal and the exchangeable nucleotide binding sites are separated by a maximal distance of 6 at 35 degrees C, to 8.1 A at 12 degrees C. PMID:2619317

  12. High-pressure nuclear-magnetic-resonance study of carbon-13 relaxation in 2-ethylhexyl benzoate and 2-ethylhexyl cyclohexanecarboxylate

    NASA Astrophysics Data System (ADS)

    Adamy, S. T.; Grandinetti, P. J.; Masuda, Y.; Campbell, D.; Jonas, J.

    1991-03-01

    Natural abundance carbon-13 spin-lattice relaxation times and 13G-1H nuclear Overhauser enhancement (NOE) times of 2-ethyl hexylbenzoate (EHB) and 2-ethyl hexylcyclohexanecarboxylate (EHC) have been measured along isotherms of -20, 0, 20, 40, and 80 °C at pressures of 1-5000 bars using high-pressure, high-resolution NMR techniques. The ability to use pressure as an experimental variable has allowed us to study a wide range of molecular motions from extreme narrowing into the slow motional regime. In addition, the high-resolution capability even at high pressure permits the measurement of 13C and NOE for each individual carbon in the molecules studied. Relaxation in both molecules is successfully analyzed in terms of a model assuming a Cole-Davidson distribution of correlation times. The comparison of parameters used in the model demonstrates the increased flexibility of the EHC ring over the EHB ring and also shows how the presence of the flexible ring contributes to the increased over-all mobility of the EHC molecule. The analysis of molecular reorientations in terms of activation volumes also indicates that EHB motion is highly restricted at low temperature.

  13. A theoretical study of rotational diffusion models for rod-shaped viruses. The influence of motion on 31P nuclear magnetic resonance lineshapes and transversal relaxation.

    PubMed Central

    Magusin, P C; Hemminga, M A

    1993-01-01

    Information about the interaction between nucleic acids and coat proteins in intact virus particles may be obtained by studying the restricted backbone dynamics of the incapsulated nucleic acids using 31P nuclear magnetic resonance (NMR) spectroscopy. In this article, simulations are carried out to investigate how reorientation of a rod-shaped virus particle as a whole and isolated nucleic acid motions within the virion influence the 31P NMR lineshape and transversal relaxation dominated by the phosphorus chemical shift anisotropy. Two opposite cases are considered on a theoretical level. First, isotropic rotational diffusion is used as a model for mobile nucleic acids that are loosely or partially bound to the protein coat. The effect of this type of diffusion on lineshape and transversal relaxation is calculated by solving the stochastic Liouville equation by an expansion in spherical functions. Next, uniaxial rotational diffusion is assumed to represent the mobility of phosphorus in a virion that rotates as a rigid rod about its length axis. This type of diffusion is approximated by an exchange process among discrete sites. As turns out from these simulations, the amplitude and the frequency of the motion can only be unequivocally determined from experimental data by a combined analysis of the lineshape and the transversal relaxation. In the fast motional region both the isotropic and the uniaxial diffusion model predict the same transversal relaxation as the Redfield theory. For very slow motion, transversal relaxation resembles the nonexponential relaxation as observed for water molecules undergoing translational diffusion in a magnetic field gradient. In this frequency region T2e is inversely proportional to the cube root of the diffusion coefficient. In addition to the isotropic and uniaxial diffusion models, a third model is presented, in which fast restricted nucleic acid backbone motions dominating the lineshape are superimposed on a slow rotation of the

  14. Control of Transport-Barrier Relaxations by Resonant Magnetic Perturbations

    SciTech Connect

    Leconte, M.; Beyer, P.; Benkadda, S.

    2009-01-30

    Transport-barrier relaxation oscillations in the presence of resonant magnetic perturbations are investigated using three-dimensional global fluid turbulence simulations from first principles at the edge of a tokamak. It is shown that resonant magnetic perturbations have a stabilizing effect on these relaxation oscillations and that this effect is due mainly to a modification of the pressure profile linked to the presence of both residual magnetic island chains and a stochastic layer.

  15. A study of coal extraction with electron paramagnetic resonance (EPR) and proton nuclear magnetic resonance relaxation techniques. Quarterly technical progress report, April 1, 1993--June 30, 1993

    SciTech Connect

    Doetschman, D.C.; Mehlenbacher, R.C.; Ito, O.

    1993-09-01

    An electron spin and proton magnetic relaxation study is presented on the effects of the solvent extraction of coal on the macromoleculer network of the coal and on the mobile molecular species that are initially within the coal. The eight Argonne Premium coals were extracted at room temperature with a 1:1 (v/v) N-methylpyrrolidinone (NMP)-CS2 solvent mixture under an inert atmosphere. As much solvent as possible was removed from extract and residue by treatment in a vacuum. The mobilization of molecular free radicals by the solvent and the exposure of free radicals in the macromoleculer matrix to solvent or to species dissolved in the solvent, results in a preferential survival of residue radicals of types that depend on the particular coal and results in the apparently fairly uniform loss of all types of radicals in bituminous coal extracts. The surviving extract and residue free radicals are more predominantly of the odd- alternate hydrocarbon free radical type. The spin-lattice relaxation (SLR) of these coal free radicals has previously been inferred (Doetschman and Dwyer, Energy Fuels, 1992, 6, 783) to be from the modulation of the intramolecular electron-nuclear dipole-interactions of the CH groups in a magnetic field by rocldng motions of the radical in the coal matrix. Such a modulation would depend not only on the rocking amplitude and frequency but also upon the electron spin density at the CH groups in the radical. The observed SLR rates decrease with coal rank in agreement with the smaller spin densities and the lower rocidng amplitudes that are expected for the larger polycondensed ring systems in coals of higher rank. The SLR rates are found to be generally faster in the extracts (than residues) where the molecular species would be expected to have a smaller polycondensed ring system than in the macromoleculer matrix of the residue.

  16. Pharmaceutical Applications of Relaxation Filter-Selective Signal Excitation Methods for (19)F Solid-State Nuclear Magnetic Resonance: Case Study With Atorvastatin in Dosage Formulation.

    PubMed

    Asada, Mamiko Nasu; Nemoto, Takayuki; Mimura, Hisashi

    2016-03-01

    We recently developed several new relaxation filter-selective signal excitation (RFS) methods for (13)C solid-state nuclear magnetic resonance (NMR) that allow (13)C signal extraction of the target components from pharmaceuticals. These methods were successful in not only qualification but also quantitation over the wide range of 5% to 100%. Here, we aimed to improve the sensitivity of these methods and initially applied them to (19)F solid-state NMR, on the basis that the fluorine atom is one of the most sensitive NMR-active nuclei. For testing, we selected atorvastatin calcium (ATC), an antilipid BCS class II drug that inhibits 3-hydroxy-3-methylglutaryl-coenzyme A reductase and is marketed in crystalline and amorphous forms. Tablets were obtained from 2 generic drug suppliers, and the ATC content occurred mainly as an amorphous form. Using the RFS method with (19)F solid-state NMR, we succeeded in qualifying trace amounts (less than 0.5% w/w level) of crystalline phase (Form I) of ATC in the tablets. RFS methods with (19)F solid-state NMR are practical and time efficient and can contribute not only to the study of pharmaceutical drugs, including those with small amounts of a highly potent active ingredient within a formulated product, but also to the study of fluoropolymers in material sciences. PMID:26886305

  17. Resonant Perturbation Theory of Decoherence and Relaxation of Quantum Bits

    DOE PAGESBeta

    Merkli, M.; Berman, G. P.; Sigal, I. M.

    2010-01-01

    We describe our recenmore » t results on the resonant perturbation theory of decoherence and relaxation for quantum systems with many qubits. The approach represents a rigorous analysis of the phenomenon of decoherence and relaxation for general N -level systems coupled to reservoirs of bosonic fields. We derive a representation of the reduced dynamics valid for all times t ≥ 0 and for small but fixed interaction strength. Our approach does not involve master equation approximations and applies to a wide variety of systems which are not explicitly solvable.« less

  18. Proton-nuclear magnetic resonance relaxation times in brain edema

    SciTech Connect

    Kamman, R.L.; Go, K.G.; Berendsen, H.J. )

    1990-01-01

    Proton relaxation times of protein solutions, bovine brain, and edematous feline brain tissue were studied as a function of water concentration, protein concentration, and temperature. In accordance with the fast proton exchange model for relaxation, a linear relation could be established between R1 and the inverse of the weight fraction of tissue water. This relation also applied to R2 of gray matter and of protein solutions. No straightforward relation with water content was found for R2 of white matter. Temperature-dependent studies indicated that in this case, the slow exchange model for relaxation had to be applied. The effect of macromolecules in physiological relevant concentrations on the total relaxation behavior of edematous tissue was weak. Total water content changes predominantly affected the relaxation rates. The linear relation may have high clinical potential for assessment of the status of cerebral edema on the basis of T1 and T2 readings from MR images.

  19. Coherence resonance in a unijunction transistor relaxation oscillator

    NASA Astrophysics Data System (ADS)

    Nurujjaman, Md.; Bhattacharya, P. S.; Iyengar, A. N. Sekar; Sarkar, Sandip

    2009-07-01

    The phenomenon of coherence resonance is investigated in an unijunction transistor relaxation oscillator and quantified by estimating the normal variance (NV). Depending on the measuring points, two types of NV curves have been obtained. We have observed that the degradations in coherency at higher noise amplitudes in our system is probably the result of direct interference of coherent oscillations and the stochastic perturbation. Degradation of coherency may be minimal if this direct interference of noise and coherent oscillations is eliminated.

  20. A 15N CPMG relaxation dispersion experiment more resistant to resonance offset and pulse imperfection

    NASA Astrophysics Data System (ADS)

    Jiang, Bin; Yu, Binhan; Zhang, Xu; Liu, Maili; Yang, Daiwen

    2015-08-01

    Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion is a powerful NMR method to study protein dynamics on the microsecond-millisecond time scale. J-coupling, resonance offset, radio frequency field inhomogeneity, and pulse imperfection often introduce systematic errors into the measured transverse relaxation rates. Here we proposed a modified continuous wave decoupling CPMG experiment, which is more unaffected by resonance offset and pulse imperfection. We found that it is unnecessary to match the decoupling field strength with the delay between CPMG refocusing pulses, provided that decoupling field is strong enough. The performance of the scheme proposed here was shown by simulations and further demonstrated experimentally on a fatty acid binding protein.

  1. Proton Nuclear Magnetic Resonance Relaxation Measurements in Frog Muscle

    PubMed Central

    Finch, Edward D.; Homer, Louis D.

    1974-01-01

    Proton nuclear magnetic resonance (NMR) relaxation measurements are reported for frog muscle as a function of temperature and Larmor frequency. Each T1ρ, T2, and T1 measurement covered a time domain sufficient to identify the average relaxation time for most intracellular water. Using regression analysis the data were fit with a model where intracellular water molecules are exchanging between a large compartment in which mobility is similar to ordinary water and a small compartment in which motion is restricted. The regression results suggest that: the restricted compartment exhibits a distribution of motions skewed toward that of free water; the residence time of water molecules in the restricted compartment is approximately 1 ms; and, the activation entropy for some water molecules in the restricted compartment is negative. PMID:4547668

  2. The physical state of osmoregulatory solutes in unicellular algae. A natural-abundance carbon-13 nuclear-magnetic-resonance relaxation study.

    PubMed Central

    Norton, R S; MacKay, M A; Borowitzka, L J

    1982-01-01

    Natural-abundance 13C n.m.r. spin-lattice relaxation-time measurements have been carried out on intact cells of the unicellular blue--green alga Synechococcus sp. and the unicellular green alga Dunaliella salina, with the aim of characterizing the environments of the organic osmoregulatory solutes in these salt-tolerant organisms. In Synechococcus sp., all of the major organic osmoregulatory solute, 2-O-alpha-D-glucopyranosylglycerol, is visible in spectra of intact cells. Its rotational motion in the cell is slower by a factor of approx. 2.4 than in aqueous solution, but the molecule is still freely mobile and therefore able to contribute to the osmotic balance. In D. salina, only about 60% of the osmoregulatory solute glycerol is visible in spectra of intact cells. The rotational mobility of this observable fraction is approximately half that found in aqueous solution, but the data also indicate that there is a significant concentration of some paramagnetic species in D. salina which contributes to the overall spin-lattice relaxation of the glycerol carbon atoms. The non-observable fraction, which must correspond to glycerol molecules that have very broad 13C resonances and that are in slow exchange with bulk glycerol, has not been properly characterized as yet, but may represent glycerol in the chloroplast. The implications of these findings in relation to the physical state of the cytoplasm and the mechanism of osmoregulation in these cells are discussed. PMID:6807296

  3. Feasibility for mapping cartilage t1 relaxation times in the distal metacarpus3/metatarsus3 of thoroughbred racehorses using delayed gadolinium-enhanced magnetic resonance imaging of cartilage (dGEMRIC): normal cadaver study.

    PubMed

    Carstens, Ann; Kirberger, Robert M; Velleman, Mark; Dahlberg, Leif E; Fletcher, Lizelle; Lammentausta, Eveliina

    2013-01-01

    Osteoarthritis of the metacarpo/metatarsophalangeal joints is one of the major causes of poor performance in horses. Delayed gadolinium-enhanced magnetic resonance imaging of cartilage (dGEMRIC) may be a useful technique for noninvasively quantifying articular cartilage damage in horses. The purpose of this study was to describe dGEMRIC characteristics of the distal metacarpus3/metatarsus3 (Mc3/Mt3) articular cartilage in 20 cadaver specimens collected from normal Thoroughbred horses. For each specimen, T1 relaxation time was measured from scans acquired precontrast and at 30, 60, 120, and 180 min post intraarticular injection of Gd-DTPA(2-) (dGEMRIC series). For each scan, T1 relaxation times were calculated using five regions of interest (sites 1-5) in the cartilage. For all sites, a significant decrease in T1 relaxation times occurred between precontrast scans and 30, 60, 120, and 180 min scans of the dGEMRIC series (P < 0.0001). A significant increase in T1 relaxation times occurred between 60 and 180 min and between 120 and 180 min post Gd injection for all sites. For sites 1-4, a significant increase in T1 relaxation time occurred between 30 and 180 min postinjection (P < 0.05). Sites 1-5 differed significantly among one another for all times (P < 0.0001). Findings from this cadaver study indicated that dGEMRIC using intraarticular Gd-DTPA(2-) is a feasible technique for measuring and mapping changes in T1 relaxation times in equine metacarpo/metatarsophalangeal joint cartilage. Optimal times for postcontrast scans were 60-120 min. Future studies are needed to determine whether these findings are reproducible in live horses. PMID:23551282

  4. Evaluation of brain edema using magnetic resonance proton relaxation times

    SciTech Connect

    Fu, Y.; Tanaka, K.; Nishimura, S. )

    1990-01-01

    Experimental and clinical studies on the evaluation of water content in cases of brain edema were performed in vivo, using MR proton relaxation times (longitudinal relaxation time, T1; transverse relaxation time, T2). Brain edema was produced in the white matter of cats by the direct infusion method. The correlations between proton relaxation times obtained from MR images and the water content of white matter were studied both in autoserum-infused cats and in saline-infused cats. The correlations between T1 as well as T2 and the water content in human vasogenic brain edema were also examined and compared with the data obtained from the serum group. T1 and T2 showed good correlations with the water content of white matter not only in the experimental animals but also in the clinical cases. The quality of the edema fluid did not influence relaxation time and T1 seemed to represent almost solely the water content of the tissue. T2, however, was affected by the nature of existence of water and was more sensitive than T1 in detecting extravasated edema fluid. It seems feasible therefore to evaluate the water content of brain edema on the basis of T1 values.

  5. Characterisation and application of ultra-high spin clusters as magnetic resonance relaxation agents.

    PubMed

    Guthausen, Gisela; Machado, Julyana R; Luy, Burkhard; Baniodeh, Amer; Powell, Annie K; Krämer, Steffen; Ranzinger, Florian; Herrling, Maria P; Lackner, Susanne; Horn, Harald

    2015-03-21

    In Magnetic Resonance Tomography (MRT) image contrast can be improved by adding paramagnetic relaxation agents such as lanthanide ions. Here we report on the use of highly paramagnetic isostructural Fe(III)/4f coordination clusters with a [Fe10Ln10] core to enhance relaxation. Measurements were performed over the range of (1)H Larmor frequencies of 10 MHz to 1.4 GHz in order to determine the relevant parameters for longitudinal and transverse relaxivities. Variation of the lanthanide ion allows differentiation of relaxation contributions from electronic states and molecular dynamics. We find that the transverse relaxivities increase with field, whereas the longitudinal relaxivities depend on the nature of the lanthanide. In addition, the Gd(III) analogue was selected in particular to test the interaction with tissue observed using MRT. Studies on biofilms used in waste water treatment reveal that the behaviour of the high-spin clusters is different from what is observed for common relaxation agents with respect to the penetration into the biofilms. The Fe10Gd10 cluster adheres to the surface of the biofilm better than the commercial agent Gadovist. PMID:25670214

  6. Deuterium off-resonance rotating frame spin-lattice relaxation of macromolecular bound ligands.

    PubMed Central

    Rydzewski, J M; Schleich, T

    1996-01-01

    Deuterated 3-trimethylsilylpropionic acid binding to bovine serum albumin was used as a model system to examine the feasibility and limitations of using the deuterium off-resonance rotating frame spin-lattice relaxation experiment for the study of equilibrium ligand-binding behavior to proteins. The results of this study demonstrate that the rotational-diffusion behavior of the bound species can be monitored directly, i.e., the observed correlation time of the ligand in the presence of a protein is approximately equal to the correlation time of the ligand in the bound state, provided that the fraction of bound ligand is at least 0.20. The presence of local ligand motion and/or chemical exchange contributions to relaxation in the bound state was inferred from the observation that the correlation time of the bound ligand was somewhat smaller than the correlation time characterizing the overall tumbling of the protein. An approximate value for the fraction of bound ligand was obtained from off-resonance relaxation experiments when supplemental spin-lattice or transverse relaxation times were employed in the analysis. Incorporation of local motion effects for the bound species into the theoretical relaxation formalism enabled the evaluation of an order parameter and an effective correlation time, which in conjunction with a wobbling in a cone model, provided additional information about ligand motion in the bound state. PMID:8785304

  7. Active site substitution A82W improves the regioselectivity of steroid hydroxylation by cytochrome P450 BM3 mutants as rationalized by spin relaxation nuclear magnetic resonance studies.

    PubMed

    Rea, V; Kolkman, A J; Vottero, E; Stronks, E J; Ampt, K A M; Honing, M; Vermeulen, N P E; Wijmenga, S S; Commandeur, J N M

    2012-01-24

    Cytochrome P450 BM3 from Bacillus megaterium is a monooxygenase with great potential for biotechnological applications. In this paper, we present engineered drug-metabolizing P450 BM3 mutants as a novel tool for regioselective hydroxylation of steroids at position 16β. In particular, we show that by replacing alanine at position 82 with a tryptophan in P450 BM3 mutants M01 and M11, the selectivity toward 16β-hydroxylation for both testosterone and norethisterone was strongly increased. The A82W mutation led to a ≤42-fold increase in V(max) for 16β-hydroxylation of these steroids. Moreover, this mutation improves the coupling efficiency of the enzyme, which might be explained by a more efficient exclusion of water from the active site. The substrate affinity for testosterone increased at least 9-fold in M11 with tryptophan at position 82. A change in the orientation of testosterone in the M11 A82W mutant as compared to the orientation in M11 was observed by T(1) paramagnetic relaxation nuclear magnetic resonance. Testosterone is oriented in M11 with both the A- and D-ring protons closest to the heme iron. Substituting alanine at position 82 with tryptophan results in increased A-ring proton-iron distances, consistent with the relative decrease in the level of A-ring hydroxylation at position 2β. PMID:22208729

  8. Relaxation of giant resonances: Semimicroscopic description (Methods, Results, and Prospects)

    SciTech Connect

    Urin, M. H.

    2011-08-15

    An account of a semimicroscopic approach to globally describing dominant relaxation modes for giant resonances in spherical nuclei is given. This approach is based on the continuum version of the random-phase approximation and on a phenomenological description of the fragmentation effect. The fragmentation effect in question is taken into account in the 'pole' approximation in terms of the excitationenergy-dependent imaginary part of the single-particle effective optical potential directly in the equations of the approximation in question. In the practical implementation of the above approach, use is made of the Landau-Migdal interaction in the particle-hole channel and a phenomenological mean field of the nucleus being considered, these two being related by a partial-consistency condition. The results obtained within this approach by calculating integrated and differential features for a number of giant resonances over a broad range of excitation energies are used to perform a comparison with available experimental data and to predict the results of possible experiments. A particle-hole optical model that serves both as a substantiation for the existing version of the semimicroscopic approach and as a basic element for describing excitations of the particle-hole type at an arbitrary (albeit rather high) energy is formulated.

  9. Stellar dynamics around a massive black hole - II. Resonant relaxation

    NASA Astrophysics Data System (ADS)

    Sridhar, S.; Touma, Jihad R.

    2016-06-01

    We present a first-principles theory of resonant relaxation (RR) of a low-mass stellar system orbiting a more massive black hole (MBH). We first extend the kinetic theory of Gilbert to include the Keplerian field of a black hole of mass M•. Specializing to a Keplerian stellar system of mass M ≪ M•, we use the orbit-averaging method of Sridhar & Touma to derive a kinetic equation for RR. This describes the collisional evolution of a system of N ≫ 1 Gaussian rings in a reduced 5-dim space, under the combined actions of self-gravity, 1 post-Newtonian (PN) and 1.5 PN relativistic effects of the MBH and an arbitrary external potential. In general geometries, RR is driven by both apsidal and nodal resonances, so the distinction between scalar RR and vector RR disappears. The system passes through a sequence of quasi-steady secular collisionless equilibria, driven by irreversible two-ring correlations that accrue through gravitational interactions, both direct and collective. This correlation function is related to a `wake function', which is the linear response of the system to the perturbation of a chosen ring. The wake function is easier to appreciate, and satisfies a simpler equation, than the correlation function. We discuss general implications for the interplay of secular dynamics and non-equilibrium statistical mechanics in the evolution of Keplerian stellar systems towards secular thermodynamic equilibria, and set the stage for applications to the RR of axisymmetric discs in Paper III.

  10. A (15)N CPMG relaxation dispersion experiment more resistant to resonance offset and pulse imperfection.

    PubMed

    Jiang, Bin; Yu, Binhan; Zhang, Xu; Liu, Maili; Yang, Daiwen

    2015-08-01

    Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion is a powerful NMR method to study protein dynamics on the microsecond-millisecond time scale. J-coupling, resonance offset, radio frequency field inhomogeneity, and pulse imperfection often introduce systematic errors into the measured transverse relaxation rates. Here we proposed a modified continuous wave decoupling CPMG experiment, which is more unaffected by resonance offset and pulse imperfection. We found that it is unnecessary to match the decoupling field strength with the delay between CPMG refocusing pulses, provided that decoupling field is strong enough. The performance of the scheme proposed here was shown by simulations and further demonstrated experimentally on a fatty acid binding protein. PMID:26037134

  11. Effects of pulmonary inhalation on hyperpolarized krypton-83 magnetic resonance T1 relaxation

    NASA Astrophysics Data System (ADS)

    Stupic, K. F.; Elkins, N. D.; Pavlovskaya, G. E.; Repine, J. E.; Meersmann, T.

    2011-07-01

    The 83Kr magnetic resonance (MR) relaxation time T1 of krypton gas in contact with model surfaces was previously found to be highly sensitive to surface composition, surface-to-volume ratio, and surface temperature. The work presented here explored aspects of pulmonary 83Kr T1 relaxation measurements in excised lungs from healthy rats using hyperpolarized (hp) 83Kr with approximately 4.4% spin polarization. MR spectroscopy without spatial resolution was applied to the ex vivo lungs that actively inhale hp 83Kr through a custom designed ventilation system. Various inhalation schemes were devised to study the influence of anatomical dead space upon the measured 83Kr T1 relaxation times. The longitudinal 83Kr relaxation times in the distal airways and the respiratory zones were independent of the lung inhalation volume, with T1 = 1.3 s and T1 = 1.0 s, depending only on the applied inhalation scheme. The obtained data were highly reproducible between different specimens. Further, the 83Kr T1 relaxation times in excised lungs were unaffected by the presence of up to 40% oxygen in the hp gas mixture. The results support the possible importance of 83Kr as a biomarker for evaluating lung function.

  12. Spin Relaxation Resonances due to the Spin-Axis Interaction in Dense Rubidium and Cesium Vapor

    NASA Astrophysics Data System (ADS)

    Erickson, C. J.; Levron, D.; Happer, W.; Kadlecek, S.; Chann, B.; Anderson, L. W.; Walker, T. G.

    2000-11-01

    Resonances in the magnetic decoupling curves for the spin relaxation of dense alkali-metal vapors prove that much of the relaxation is due to the spin-axis interaction in triplet dimers. Initial estimates of the spin-axis coupling coefficients for the dimers (likely accurate to a factor of 2) are \\|λ\\|/h = 290 MHz for Rb; 2500 MHz for Cs.

  13. Measurement of cyclotron resonance relaxation time in the two-dimensional electron system

    SciTech Connect

    Andreev, I. V. Muravev, V. M.; Kukushkin, I. V.; Belyanin, V. N.

    2014-11-17

    Dependence of cyclotron magneto-plasma mode relaxation time on electron concentration and temperature in the two-dimensional electron system in GaAs/AlGaAs quantum wells has been studied. Comparative analysis of cyclotron and transport relaxation time has been carried out. It was demonstrated that with the temperature increase transport relaxation time tends to cyclotron relaxation time. It was also shown that cyclotron relaxation time, as opposed to transport relaxation time, has a weak electron density dependence. The cyclotron time can exceed transport relaxation time by an order of magnitude in a low-density range.

  14. The investigation of placental relaxation and estimation of placental perfusion using echo-planar magnetic resonance imaging.

    PubMed

    Duncan, K R; Gowland, P; Francis, S; Moore, R; Baker, P N; Johnson, I R

    1998-09-01

    Echo-planar imaging (EPI) is a form of magnetic resonance imaging (MRI) which acquires images in milliseconds rather than minutes as with conventional MRI. The images produced using EPI are affected by the physiological environment in which the hydrogen atoms producing the signals are found, a process referred to as relaxation. Also by producing images a matter of milliseconds apart, quantification of perfusion within the tissue being imaged is feasible. The objective of this study was to investigate T1 and T2 relaxation times along with perfusion in placentae from normal pregnancies at different gestations and also to compare these to pregnancies complicated by abnormal placental function. A cross-sectional study of normal and compromised pregnancies from 20 weeks to term and a longitudinal study of normal pregnancy were performed. Placental T1, T2 relaxation times, and perfusion were measured using echo-planar magnetic resonance imaging. Placental T1 and T2 relaxation times decreased in normal pregnancy (P<0.001). Relaxation times in pregnancies associated with placental pathology appeared to be reduced for that gestation although the numbers were too small to allow any statistical validation. No differences in placental perfusion with gestation or between normal and compromised pregnancy were demonstrated using this technique. This is the first demonstration of placental magnetic resonance relaxation and perfusion measurements in normal pregnancy using echo-planar magnetic resonance imaging. In the future it may be possible to identify compromised pregnancies by differences in placental T1 and T2 relaxation times, using this novel non-invasive technique. PMID:9778128

  15. Resonance local phonon mode and electron spin-lattice relaxation of formate-type free radicals studied by electron spin echo in Cd(HCOO)2·2H2O crystal

    NASA Astrophysics Data System (ADS)

    Hoffmann, S. K.; Goslar, J.

    2015-07-01

    The results of X-band electron spin resonance (ESR) and electron spin echo (ESE) measurements for free radicals generated in Cd(HCOO)2·2H2O single crystal are presented. From ESR spectra analysis the radicals were identified as \\text{CO}2- after x-ray irradiation and as HOCO after γ-ray irradiation. The room temperature g-factors are: g|| = 1.9969 and g⊥ = 2.0024 for \\text{CO}2- and g1 = 2.0087, g2 = 2.0029 and g3 = 1.9960 for HOCO. Axial g-tensor symmetry for \\text{CO}2- is due to fast reorientation of the radical molecule around the g||-axis. Assignment of HOCO is confirmed by hyperfine splitting (Amax = 0.4 mT) from a single distant proton. Spin lattice relaxation rate was determined from ESE measurements in temperature range 4-250 K. Both radicals relax via local resonance mode lying within acoustic phonon branch. The existing theories of electron spin-lattice relaxation via local resonance mode are critically reviewed and compared with experimental data. A new approximation is proposed giving local mode energy \\hbar {ωR} = 56 cm-1 for \\text{CO}2- and \\hbar {ωR} = 44 cm-1 for the HOCO-radical.

  16. Semimicroscopic description of basic modes of relaxation of the Gamow-Teller resonance

    SciTech Connect

    Safonov, I. V. Urin, M. H.

    2012-12-15

    Semimicroscopic approach based on the continuum version of the random-phase approximation and on a phenomenological method for taking into account the fragmentation effect is used to describe quantitatively basic relaxation parameters of the Gamow-Teller resonance in magic and nearmagic nuclei. For the {sup 208}Bi nucleus, the results obtained by calculating the resonance parameters in question are compared with respective experimental data.

  17. Dielectric relaxation and resonance in relaxor ferroelectric K1-xLixTaO3

    NASA Astrophysics Data System (ADS)

    Pattnaik, R. K.; Toulouse, J.

    1999-09-01

    Polar regions are shown to mediate a strong coupling between polarization and strain in the paraelectric phase of the mixed ferroelectric K1-xLixTaO3 (KLT) and KTa1-xNbxO3 resulting in a field-induced piezoelectric response. The coupling is shown to result in a resonance in the dielectric spectrum of the crystals. In KLT, polar nanoregions can reorient via 180° (π relaxation) or 90° (π/2 relaxation) rotations. While the π relaxation is of no consequence, the π/2 relaxation has a strong influence on the overall character of the resonance. In addition to providing a mechanism for loss and degradation of the quality factor, this relaxation alters the character of the resonance as the two cross. Experimental results from dielectric spectroscopy above and below this crossover are presented and discussed. A simple theoretical Debye model involving the electrostrictive polarization-strain coupling is presented and the calculated spectrum is shown to reproduce the experimental spectrum. The parameters derived from the model are discussed. Most significantly, the electrostrictive coefficient of KLT is found to be 100 times larger than that of BaTiO3, and is due to the presence of polar nanoregions.

  18. Nuclear magnetic resonance and proton relaxation times in experimental heterotopic heart transplantation

    SciTech Connect

    Eugene, M.; Lechat, P.; Hadjiisky, P.; Teillac, A.; Grosgogeat, Y.; Cabrol, C.

    1986-01-01

    It should be possible to detect heart transplant rejection by nuclear magnetic resonance (NMR) imaging if it induces myocardial T1 and T2 proton relaxation time alterations or both. We studied 20 Lewis rats after a heterotopic heart transplantation. In vitro measurement of T1 and T2 was performed on a Minispec PC20 (Bruker) 3 to 9 days after transplantation. Histologic analysis allowed the quantification of rejection process based on cellular infiltration and myocardiolysis. Water content, a major determinant of relaxation time, was also studied. T1 and T2 were significantly prolonged in heterotopic vs orthotopic hearts (638 +/- 41 msec vs 606 +/- 22 msec for T1, p less than 0.01 and 58.2 +/- 8.4 msec vs 47.4 +/- 1.9 msec for T2, p less than 0.001). Water content was also increased in heterotopic hearts (76.4 +/- 2.3 vs 73.8 +/- 1.0, p less than 0.01). Most importantly, we found close correlations between T1 and especially T2 vs water content, cellular infiltration, and myocardiolysis. We conclude that rejection reaction should be noninvasively detected by NMR imaging, particularly with pulse sequences emphasizing T2.

  19. Gadolinium oxide nanoplates with high longitudinal relaxivity for magnetic resonance imaging

    NASA Astrophysics Data System (ADS)

    Cho, Minjung; Sethi, Richa; Ananta Narayanan, Jeyarama Subramanian; Lee, Seung Soo; Benoit, Denise N.; Taheri, Nasim; Decuzzi, Paolo; Colvin, Vicki L.

    2014-10-01

    Molecular-based contrast agents for magnetic resonance imaging (MRI) are often characterized by insufficient relaxivity, thus requiring the systemic injection of high doses to induce sufficient contrast enhancement at the target site. In this work, gadolinium oxide (Gd2O3) nanoplates are produced via a thermal decomposition method. The nanoplates have a core diameter varying from 2 to 22 nm, a thickness of 1 to 2 nm and are coated with either an oleic acid bilayer or an octylamine modified poly(acrylic acid) (PAA-OA) polymer layer. For the smaller nanoplates, longitudinal relaxivities (r1) of 7.96 and 47.2 (mM s)-1 were measured at 1.41 T for the oleic acid bilayer and PAA-OA coating, respectively. These values moderately reduce as the size of the Gd2O3 nanoplates increases, and are always larger for the PAA-OA coating. Cytotoxicity studies on human dermal fibroblast cells documented no significant toxicity, with 100% cell viability preserved up to 250 μM for the PAA-OA coated Gd2O3 nanoplates. Given the 10 times increase in longitudinal relaxivity over the commercially available Gd-based molecular agents and the favorable toxicity profile, the 2 nm PAA-OA coated Gd2O3 nanoplates could represent a new class of highly effective T1 MRI contrast agents.Molecular-based contrast agents for magnetic resonance imaging (MRI) are often characterized by insufficient relaxivity, thus requiring the systemic injection of high doses to induce sufficient contrast enhancement at the target site. In this work, gadolinium oxide (Gd2O3) nanoplates are produced via a thermal decomposition method. The nanoplates have a core diameter varying from 2 to 22 nm, a thickness of 1 to 2 nm and are coated with either an oleic acid bilayer or an octylamine modified poly(acrylic acid) (PAA-OA) polymer layer. For the smaller nanoplates, longitudinal relaxivities (r1) of 7.96 and 47.2 (mM s)-1 were measured at 1.41 T for the oleic acid bilayer and PAA-OA coating, respectively. These values

  20. Robust determination of surface relaxivity from nuclear magnetic resonance DT2 measurements

    NASA Astrophysics Data System (ADS)

    Luo, Zhi-Xiang; Paulsen, Jeffrey; Song, Yi-Qiao

    2015-10-01

    Nuclear magnetic resonance (NMR) is a powerful tool to probe into geological materials such as hydrocarbon reservoir rocks and groundwater aquifers. It is unique in its ability to obtain in situ the fluid type and the pore size distributions (PSD). The T1 and T2 relaxation times are closely related to the pore geometry through the parameter called surface relaxivity. This parameter is critical for converting the relaxation time distribution into the PSD and so is key to accurately predicting permeability. The conventional way to determine the surface relaxivity ρ2 had required independent laboratory measurements of the pore size. Recently Zielinski et al. proposed a restricted diffusion model to extract the surface relaxivity from the NMR diffusion-T2 relaxation (DT2) measurement. Although this method significantly improved the ability to directly extract surface relaxivity from a pure NMR measurement, there are inconsistencies with their model and it relies on a number of preset parameters. Here we propose an improved signal model to incorporate a scalable LT and extend their method to extract the surface relaxivity based on analyzing multiple DT2 maps with varied diffusion observation time. With multiple diffusion observation times, the apparent diffusion coefficient correctly describes the restricted diffusion behavior in samples with wide PSDs, and the new method does not require predetermined parameters, such as the bulk diffusion coefficient and tortuosity. Laboratory experiments on glass beads packs with the beads diameter ranging from 50 μm to 500 μm are used to validate the new method. The extracted diffusion parameters are consistent with their known values and the determined surface relaxivity ρ2 agrees with the expected value within ±7%. This method is further successfully applied on a Berea sandstone core and yields surface relaxivity ρ2 consistent with the literature.

  1. Robust determination of surface relaxivity from nuclear magnetic resonance DT(2) measurements.

    PubMed

    Luo, Zhi-Xiang; Paulsen, Jeffrey; Song, Yi-Qiao

    2015-10-01

    Nuclear magnetic resonance (NMR) is a powerful tool to probe into geological materials such as hydrocarbon reservoir rocks and groundwater aquifers. It is unique in its ability to obtain in situ the fluid type and the pore size distributions (PSD). The T1 and T2 relaxation times are closely related to the pore geometry through the parameter called surface relaxivity. This parameter is critical for converting the relaxation time distribution into the PSD and so is key to accurately predicting permeability. The conventional way to determine the surface relaxivity ρ2 had required independent laboratory measurements of the pore size. Recently Zielinski et al. proposed a restricted diffusion model to extract the surface relaxivity from the NMR diffusion-T2 relaxation (DT2) measurement. Although this method significantly improved the ability to directly extract surface relaxivity from a pure NMR measurement, there are inconsistencies with their model and it relies on a number of preset parameters. Here we propose an improved signal model to incorporate a scalable LT and extend their method to extract the surface relaxivity based on analyzing multiple DT2 maps with varied diffusion observation time. With multiple diffusion observation times, the apparent diffusion coefficient correctly describes the restricted diffusion behavior in samples with wide PSDs, and the new method does not require predetermined parameters, such as the bulk diffusion coefficient and tortuosity. Laboratory experiments on glass beads packs with the beads diameter ranging from 50 μm to 500 μm are used to validate the new method. The extracted diffusion parameters are consistent with their known values and the determined surface relaxivity ρ2 agrees with the expected value within ±7%. This method is further successfully applied on a Berea sandstone core and yields surface relaxivity ρ2 consistent with the literature. PMID:26340435

  2. Relaxation nuclear magnetic resonance imaging (R-NMRI) of desiccation in M9787 silicone pads.

    SciTech Connect

    Alam, Todd M; Cherry, Brian Ray; Alam, Mary Kathleen

    2004-06-01

    The production and aging of silicone materials remains an important issue in the weapons stockpile due to their utilization in a wide variety of components and systems within the stockpile. Changes in the physical characteristics of silicone materials due to long term desiccation has been identified as one of the major aging effects observed in silicone pad components. Here we report relaxation nuclear magnetic resonance imaging (R-NMRI) spectroscopy characterization of the silica-filled and unfilled polydimethylsiloxane (PDMS) and polydiphenylsiloxane (PDPS) copolymer (M9787) silicone pads within desiccating environments. These studies were directed at providing additional details about the heterogeneity of the desiccation process. Uniform NMR spin-spin relaxation time (T2) images were observed across the pad thickness indicating that the drying process is approximately uniform, and that the desiccation of the M9787 silicone pad is not a H2O diffusion limited process. In a P2O5 desiccation environment, significant reduction of T2 was observed for the silica-filled and unfilled M9787 silicone pad for desiccation up to 225 days. A very small reduction in T2 was observed for the unfilled copolymer between 225 and 487 days. The increase in relative stiffness with desiccation was found to be higher for the unfilled copolymer. These R-NMRI results are correlated to local changes in the modulus of the material

  3. Measurement of the true transverse nuclear magnetic resonance relaxation in the presence of field gradients

    NASA Astrophysics Data System (ADS)

    Mitchell, J.; Chandrasekera, T. C.; Gladden, L. F.

    2013-08-01

    A measure of the nuclear spin transverse relaxation time T2, as determined using the nuclear magnetic resonance Carr-Purcell Meiboom-Gill (CPMG) experiment, provides unique information characterizing the microstructure of porous media which are themselves ubiquitous across fields of petrophysics, biophysics, and chemical engineering. However, the CPMG measurement is sensitive to diffusion in large magnetic field gradients. Under such conditions an effective relaxation time T_{2,eff} is observed instead, described by a combination of relaxation and diffusion exponents. The relaxation exponent always varies as nte (where n is the number, and te is the temporal separation, of spin echoes). The diffusion exponent varies as nt_e^k, where 1 < k ⩽ 3, although the exact analytic form is often unknown. Here we present a general approach to separating the influence of relaxation and diffusion by utilizing a composite diffusion exponent. Any T_{2,eff} component with a power of k > 1 is removed to provide a measure of the true T2 relaxation time distribution from CPMG data acquired in the presence of a strong background gradient. We apply the technique to discriminate between the effects of relaxation and diffusion in porous media using catalysts and rocks as examples. The method is generally applicable to any CPMG measurements conducted in the presence of a static magnetic field gradient.

  4. Nuclear magnetic resonance transverse relaxation in muscle water.

    PubMed Central

    Fung, B M; Puon, P S

    1981-01-01

    The origin of the nonexponentiality of proton spin echoes of skeletal muscle has been carefully examined. It is shown that the slowly decaying part of the proton spin echoes is not due to extracellular water. First, for muscle from mice with in vivo deuteration, the deuteron spin echoes were also nonexponential, but the slowly decaying part had a larger weighing factor. Second, for glycerinated muscle in which cell membranes were disrupted, the proton spin echoes were similar to those in intact muscle. Third, the nonexponentiality of the proton spin echoes in intact muscle increased when postmortem rigor set in. Finally, when the lifetimes of extracellular water and intracellular water were taken into account in the exchange, it was found that the two types of water would not give two resolvable exponentials with the observed decay constants. It is suggested that the unusually short T2's and the nonexponential character of the spin echoes of proton and deuteron in muscle water are mainly due to hydrogen exchange between water and functional groups in the protein filaments. These groups have large dipolar or quadrupolar splittings, and undergo hydrogen exchange with water at intermediate rates. The exchange processes and their effects on the spin echoes are pH-dependent. The dependence of transverse relaxation of pH was observed in glycerinated rabbit psoas muscle fibers. PMID:7272437

  5. Magnetic Coupling and Relaxation at Interfaces Measured by Ferromagnetic Resonance Spectroscopy and Force Microscopy

    NASA Astrophysics Data System (ADS)

    Adur, Rohan

    (FMRFM). In this thesis I shall demonstrate the use of FMR spectroscopy and FMRFM to study static and dynamic couplings in ferromagnetic materials with emphasis on interfaces. First, I introduce the basic concepts of ferromagnetic resonance and spin wave relaxation. Second, I present the results of using conventional FMR spectroscopy to study the tuneable static effective fields in a ferromagnet, which manifest as anisotropy fields that define the energy landscape and equilibrium direction of the magnetization. Third, I explore both dipolar and exchange couplings between magnetizations which are dynamic in nature, and only manifest when the magnetizations are precessing. Fourth, I demonstrate the use of FMRFM to observe the modification of localized modes in a ferromagnetic film engineered with a lateral interface. Fifth, I describe the design of an FMRFM microscope and management of spurious background effects in an FMRFM experiment. Sixth, I measure relaxation from the localized modes in an insulating ferromagnetic film, which reveal a size-dependent damping effect that was unexpected in an insulating system. This suggests that spin transport from the interface of the localized mode can dictate its relaxation, even in the absence of conduction electrons. Finally, I observe a frequency-independent linewidth broadening contribution that also depends on mode size and this may give a measure of the inhomogeneous fields within a ferromagnetic sample.

  6. A study of molecular dynamics and freezing phase transition in tissues by proton spin relaxation.

    PubMed Central

    Rustgi, S N; Peemoeller, H; Thompson, R T; Kydon, D W; Pintar, M M

    1978-01-01

    Muscle, spleen, and kidney tissues from 4-wk-old C57 black mice were studied by proton magnetic resonance. Spin-lattice relaxation times at high fields and in the rotating frame, as well as the spin-spin relaxation times, are reported as a function of temperature in the liquid and frozen phase. Motions of large molecules and of water molecules and their changes at the freezing phase transition are studied. The shortcomings of the two-state fast-exchange relaxation model are discussed. PMID:667294

  7. Mineralogical controls on NMR rock surface relaxivity: A case study of the Fontainebleau Sandstone

    NASA Astrophysics Data System (ADS)

    Livo, Kurt

    Pore size distribution is derived from nuclear magnetic resonance, but is scaled by surface relaxivity. While nuclear magnetic resonance studies generally focus on the difficulty of determining pore size distribution in unconventional shale reservoirs, there is a lack of discussion concerning pure quartz sandstones. Long surface relaxivity causes complications analyzing nuclear magnetic resonance data for pore size distribution determination. Currently, I am unaware of research that addresses the complicated pore size distribution determination in long relaxing, pure sandstone formations, which is essential to accurate downhole petrophysical modeling. The Fontainebleau sandstone is well known for its homogenous mineralogical makeup and wide range of porosity and permeability. The Hibernia sandstone exhibits a similar mineralogy and is characterized by a similar and porosity-permeability range to the Fontainebleau sandstones, but with a significantly higher portion of clay minerals (1-6%). I present systematic petrophysical properties such as porosity, pore size distribution from nuclear magnetic resonance transverse relaxation times, permeability, and volumetric magnetic susceptibility to aide in characterization of the Fontainebleau sandstone. Analysis of collected nuclear magnetic resonance data is then compared to other petrophysical studies from literature such as helium porosity and permeability, magnetic susceptibility, and electrical conductivity. I find that the lack of impurities on the grain surfaces of pure quartz samples imparts a lower surface relaxivity as compared to clay containing sandstones and makes nuclear magnetic resonance analysis more complex. Thus, inverted nuclear magnetic resonance data from cleaner outcrop samples incorrectly models pore size distribution without accounting for wider surface relaxivity variation and is improperly used when characterizing the Fontainebleau sandstone. This is further supported by evidence from less

  8. Resonant Scattering off Magnetic Impurities in Graphene: Mechanism for Ultrafast Spin Relaxation

    NASA Astrophysics Data System (ADS)

    Kochan, D.; Gmitra, M.; Fabian, J.

    We give a tutorial account of our recently proposed mechanism for spin relaxation based on spin-flip resonant scattering off local magnetic moments. The mechanism is rather general, working in any material with a resonant local moment, but we believe that its particular niche is graphene, whose measured spin relaxation time is 100-1000 ps. Conventional spin-orbit coupling based mechanisms (Elliott-Yafet or Dyakonov-Perel) would require large concentrations (1000 ppm) of impurities to explain this. Our mechanism needs only 1 ppm of resonant local moments, as these act as local spin hot spots: the resonant scatterers do not appear to substantially affect graphene's measured resistivity, but are dominating spin relaxation. In principle, the local moments can come from a variety of sources. Most likely would be organic molecule adsorbants or metallic adatoms. As the representative model, particularly suited for a tutorial, we consider hydrogen adatoms which are theoretically and experimentally demonstrated to yield local magnetic moments when chemisorbed on graphene. We introduce the scattering formalism and apply it to graphene, to obtain the T-matrix and spin-flip scattering rates using the generalized Fermi golden rule.

  9. Dispersion of T1 and T2 nuclear magnetic resonance relaxation in crude oils.

    PubMed

    Chen, Joseph J; Hürlimann, Martin; Paulsen, Jeffrey; Freed, Denise; Mandal, Soumyajit; Song, Yi-Qiao

    2014-09-15

    Crude oils, which are complex mixtures of hydrocarbons, can be characterized by nuclear magnetic resonance diffusion and relaxation methods to yield physical properties and chemical compositions. In particular, the field dependence, or dispersion, of T1 relaxation can be used to investigate the presence and dynamics of asphaltenes, the large molecules primarily responsible for the high viscosity in heavy crudes. However, the T2 relaxation dispersion of crude oils, which provides additional insight when measured alongside T1, has yet to be investigated systematically. Here we present the field dependence of T1-T2 correlations of several crude oils with disparate densities. While asphaltene and resin-containing crude oils exhibit significant T1 dispersion, minimal T2 dispersion is seen in all oils. This contrasting behavior between T1 and T2 cannot result from random molecular motions, and thus, we attribute our dispersion results to highly correlated molecular dynamics in asphaltene-containing crude oils. PMID:24919743

  10. Resonantly enhanced spin-lattice relaxation of Mn2 + ions in diluted magnetic (Zn,Mn)Se/(Zn,Be)Se quantum wells

    NASA Astrophysics Data System (ADS)

    Debus, J.; Ivanov, V. Yu.; Ryabchenko, S. M.; Yakovlev, D. R.; Maksimov, A. A.; Semenov, Yu. G.; Braukmann, D.; Rautert, J.; Löw, U.; Godlewski, M.; Waag, A.; Bayer, M.

    2016-05-01

    The dynamics of spin-lattice relaxation in the magnetic Mn2 + ion system of (Zn,Mn)Se/(Zn,Be)Se quantum-well structures are studied using optical methods. Pronounced cusps are found in the giant Zeeman shift of the quantum-well exciton photoluminescence at specific magnetic fields below 10 T, when the Mn spin system is heated by photogenerated carriers. The spin-lattice relaxation time of the Mn ions is resonantly accelerated at the cusp magnetic fields. Our theoretical analysis demonstrates that a cusp occurs at a spin-level mixing of single Mn2 + ions and a quick-relaxing cluster of nearest-neighbor Mn ions, which can be described as intrinsic cross-relaxation resonance within the Mn spin system.

  11. Effects of Off-Resonance Irradiation, Cross-Relaxation, and Chemical Exchange on Steady-State Magnetization and Effective Spin-Lattice Relaxation Times

    NASA Astrophysics Data System (ADS)

    Kingsley, Peter B.; Monahan, W. Gordon

    2000-04-01

    In the presence of an off-resonance radiofrequency field, recovery of longitudinal magnetization to a steady state is not purely monoexponential. Under reasonable conditions with zero initial magnetization, recovery is nearly exponential and an effective relaxation rate constant R1eff = 1/T1eff can be obtained. Exact and approximate formulas for R1eff and steady-state magnetization are derived from the Bloch equations for spins undergoing cross-relaxation and chemical exchange between two sites in the presence of an off-resonance radiofrequency field. The relaxation formulas require that the magnetization of one spin is constant, but not necessarily zero, while the other spin relaxes. Extension to three sites with one radiofrequency field is explained. The special cases of off-resonance effects alone and with cross-relaxation or chemical exchange, cross-relaxation alone, and chemical exchange alone are compared. The inaccuracy in saturation transfer measurements of exchange rate constants by published formulas is discussed for the creatine kinase reaction.

  12. Coaxial probe for nuclear magnetic resonance diffusion and relaxation correlation experiments

    NASA Astrophysics Data System (ADS)

    Tang, Yiqiao; Hürlimann, Martin; Mandal, Soumyajit; Paulsen, Jeffrey; Song, Yi-Qiao

    2014-02-01

    A coaxial nuclear magnetic resonance (NMR) probe is built to measure diffusion and relaxation properties of liquid samples. In particular, we demonstrate the acquisition of two-dimensional (2D) distribution functions (T1-T2 and diffusion-T2), essential for fluids characterization. The compact design holds promise for miniaturization, thus enabling the measurement of molecular diffusion that is inaccessible to conventional micro-NMR setups. Potential applications range from crude oil characterization to biomolecular screening and detections.

  13. Effects of Pulmonary Inhalation on Hyperpolarized Krypton-83 Magnetic Resonance T1 Relaxation

    PubMed Central

    Stupic, K.F.; Elkins, N.D.; Pavlovskaya, G.E.; Repine, J.E.; Meersmann, T.

    2011-01-01

    The 83Kr magnetic resonance (MR) relaxation time T1 of krypton gas in contact with model surfaces was previously found to be highly sensitive to surface composition, surface to volume ratio, and surface temperature. The current work explored aspects of pulmonary 83Kr T1 relaxation measurements in excised lungs from healthy rats using hyperpolarized (hp) 83Kr with approximately 4.4 % spin polarization. MR spectroscopy without spatial resolution was applied to the ex vivo lungs that actively inhale hp 83Kr through a custom designed ventilation system. Various inhalation schemes were devised to explore the influence of anatomical dead space upon the measured 83Kr T1 relaxation times. The longitudinal 83Kr relaxation times in the distal airways and the respiratory zones were independent of the lung inhalation volume, with T1 = 1.3 s and T1 = 1.0 s, depending only on the applied inhalation scheme. The obtained data was highly reproducible between different specimens. Further, the 83Kr T1 relaxation times in excised lungs were unaffected by the presence of up to 40% oxygen in the hp gas mixture. The results support the possible importance of 83Kr as a biomarker for evaluating lung function. PMID:21628780

  14. 'Coulomb' description of basic relaxation parameters of isobar analog and charge-exchange giant monopole resonances

    SciTech Connect

    Gorelik, M. L.; Rykovanov, V. S.; Urin, M. G.

    2010-12-15

    Within a semimicroscopic approach, basic relaxation parameters of the isobaric analog resonance and of the charge-exchange giant monopole resonance, which is an overtone of the isobaric analog resonance, are interpreted in terms of the mean Coulomb field of a nucleus. The continuum version of the random-phase approximation, allowance for an approximate isospin conservation in nuclei in an explicit form, and a phenomenological description of the fragmentation effect are basic ingredients of the approach used. The aforementioned parameters were calculated for a number of magic and near-magic nuclei by using a partly self-consistent phenomenological nuclear mean field and the isovector part of the Landau-Migdal interaction in the particle-hole channel. The results of the calculations are compared with corresponding experimental data.

  15. Exceeding natural resonance frequency limit of monodisperse Fe3O4 nanoparticles via superparamagnetic relaxation

    PubMed Central

    Song, Ning-Ning; Yang, Hai-Tao; Liu, Hao-Liang; Ren, Xiao; Ding, Hao-Feng; Zhang, Xiang-Qun; Cheng, Zhao-Hua

    2013-01-01

    Magnetic nanoparticles have attracted much research interest in the past decades due to their potential applications in microwave devices. Here, we adopted a novel technique to tune cut-off frequency exceeding the natural resonance frequency limit of monodisperse Fe3O4 nanoparticles via superparamagnetic relaxation. We observed that the cut-off frequency can be enhanced from 5.3 GHz for Fe3O4 to 6.9 GHz forFe3O4@SiO2 core-shell structure superparamagnetic nanoparticles, which are much higher than the natural resonance frequency of 1.3 GHz for Fe3O4 bulk material. This finding not only provides us a new approach to enhance the resonance frequency beyond the Snoek's limit, but also extend the application for superparamagnetic nanoparticles to microwave devices. PMID:24196377

  16. Dielectric relaxation, resonance and scaling behaviors in Sr3Co2Fe24O41 hexaferrite

    PubMed Central

    Tang, Rujun; Jiang, Chen; Qian, Wenhu; Jian, Jie; Zhang, Xin; Wang, Haiyan; Yang, Hao

    2015-01-01

    The dielectric properties of Z-type hexaferrite Sr3Co2Fe24O41 (SCFO) have been investigated as a function of temperature from 153 to 503 K between 1 and 2 GHz. The dielectric responses of SCFO are found to be frequency dependent and thermally activated. The relaxation-type dielectric behavior is observed to be dominating in the low frequency region and resonance-type dielectric behavior is found to be dominating above 108 Hz. This frequency dependence of dielectric behavior is explained by the damped harmonic oscillator model with temperature dependent coefficients. The imaginary part of impedance (Z″) and modulus (M″) spectra show that there is a distribution of relaxation times. The scaling behaviors of Z″ and M″ spectra further suggest that the distribution of relaxation times is temperature independent at low frequencies. The dielectric loss spectra at different temperatures have not shown a scaling behavior above 108 Hz. A comparison between the Z″ and the M″ spectra indicates that the short-range charges motion dominates at low temperatures and the long-range charges motion dominates at high temperatures. The above results indicate that the dielectric dispersion mechanism in SCFO is temperature independent at low frequencies and temperature dependent at high frequencies due to the domination of resonance behavior. PMID:26314913

  17. Dielectric relaxation, resonance and scaling behaviors in Sr3Co2Fe24O41 hexaferrite.

    PubMed

    Tang, Rujun; Jiang, Chen; Qian, Wenhu; Jian, Jie; Zhang, Xin; Wang, Haiyan; Yang, Hao

    2015-01-01

    The dielectric properties of Z-type hexaferrite Sr3Co2Fe24O41 (SCFO) have been investigated as a function of temperature from 153 to 503 K between 1 and 2 GHz. The dielectric responses of SCFO are found to be frequency dependent and thermally activated. The relaxation-type dielectric behavior is observed to be dominating in the low frequency region and resonance-type dielectric behavior is found to be dominating above 10(8) Hz. This frequency dependence of dielectric behavior is explained by the damped harmonic oscillator model with temperature dependent coefficients. The imaginary part of impedance (Z″) and modulus (M″) spectra show that there is a distribution of relaxation times. The scaling behaviors of Z″ and M″ spectra further suggest that the distribution of relaxation times is temperature independent at low frequencies. The dielectric loss spectra at different temperatures have not shown a scaling behavior above 10(8) Hz. A comparison between the Z″ and the M″ spectra indicates that the short-range charges motion dominates at low temperatures and the long-range charges motion dominates at high temperatures. The above results indicate that the dielectric dispersion mechanism in SCFO is temperature independent at low frequencies and temperature dependent at high frequencies due to the domination of resonance behavior. PMID:26314913

  18. Coaxial probe for nuclear magnetic resonance diffusion and relaxation correlation experiments

    SciTech Connect

    Tang, Yiqiao; Hürlimann, Martin; Mandal, Soumyajit; Paulsen, Jeffrey; Song, Yi-Qiao

    2014-02-21

    A coaxial nuclear magnetic resonance (NMR) probe is built to measure diffusion and relaxation properties of liquid samples. In particular, we demonstrate the acquisition of two-dimensional (2D) distribution functions (T{sub 1}-T{sub 2} and diffusion–T{sub 2}), essential for fluids characterization. The compact design holds promise for miniaturization, thus enabling the measurement of molecular diffusion that is inaccessible to conventional micro-NMR setups. Potential applications range from crude oil characterization to biomolecular screening and detections.

  19. COPD Patients Have Short Lung Magnetic Resonance T1 Relaxation Time.

    PubMed

    Alamidi, Daniel F; Morgan, Alexandra R; Hubbard Cristinacce, Penny L; Nordenmark, Lars H; Hockings, Paul D; Lagerstrand, Kerstin M; Young, Simon S; Naish, Josephine H; Waterton, John C; Maguire, Niall C; Olsson, Lars E; Parker, Geoffrey J M

    2016-04-01

    Magnetic resonance imaging (MRI) may provide attractive biomarkers for assessment of pulmonary disease in clinical trials as it is free from ionizing radiation, minimally invasive and allows regional information. The aim of this study was to characterize lung MRI T1 relaxation time as a biomarker of chronic obstructive pulmonary disease (COPD); and specifically its relationship to smoking history, computed tomography (CT), and pulmonary function test (PFT) measurements in comparison to healthy age-matched controls. Lung T1 and inter-quartile range (IQR) of T1 maps from 24 COPD subjects and 12 healthy age-matched non-smokers were retrospectively analyzed from an institutional review board approved study. The subjects underwent PFTs and two separate MR imaging sessions at 1.5 tesla to test T1 repeatability. CT scans were performed on the COPD subjects. T1 repeatability (intraclass correlation coefficient) was 0.72 for repeated scans acquired on two visits. The lung T1 was significantly shorter (p < 0.0001) and T1 IQR was significantly larger (p = 0.0002) for the COPD subjects compared to healthy controls. Lung T1 significantly (p = 0.001) correlated with lung density assessed with CT. Strong significant correlations (p < 0.0001) between lung T1 and all PFT measurements were observed. Cigarette exposure did not correlate with lung T1 in COPD subjects. In conclusion, lung MRI T1 mapping shows potential as a repeatable, radiation free, non-invasive imaging technique in the evaluation of COPD. PMID:26488310

  20. Sodium-23 and potassium-39 nuclear magnetic resonance relaxation in eye lens. Examples of quadrupole ion magnetic relaxation in a crowded protein environment.

    PubMed Central

    Stevens, A; Paschalis, P; Schleich, T

    1992-01-01

    Single and multiple quantum nuclear magnetic resonance (NMR) spectroscopic techniques were used to investigate the motional dynamics of sodium and potassium ions in concentrated protein solution, represented in this study by cortical and nuclear bovine lens tissue homogenates. Both ions displayed homogeneous biexponential magnetic relaxation behavior. Furthermore, the NMR relaxation behavior of these ions in lens homogenates was consistent either with a model that assumed the occurrence of two predominant ionic populations, "free" and "bound," in fast exchange with each other or with a model that assumed an asymmetric Gaussian distribution of correlation times. Regardless of the model employed, both ions were found to occur in a predominantly "free" or "unbound" rapidly reorienting state. The fraction of "bound" 23Na+, assuming a discrete two-site model, was approximately 0.006 and 0.017 for cortical and nuclear homogenates, respectively. Corresponding values for 39K+ were 0.003 and 0.007, respectively. Estimated values for the fraction of "bound" 23Na+ or 39K+ obtained from the distribution model (tau C greater than omega L-1) were less than or equal to 0.05 for all cases examined. The correlation times of the "bound" ions, derived using either a two-site or distribution model, yielded values that were at least one order of magnitude smaller than the reorientational motion of the constituent lens proteins. This observation implies that the apparent correlation time for ion binding is dominated by processes other than protein reorientational motion, most likely fast exchange between "free" and "bound" environments. The results of NMR visibility studies were consistent with the above findings, in agreement with other studies performed by non-NMR methods. These studies, in combination with those presented in the literature, suggest that the most likely role for sodium and potassium ions in the lens appears to be the regulation of cell volume by affecting the

  1. Metabolic properties in stroked rats revealed by relaxation-enhanced magnetic resonance spectroscopy at ultrahigh fields.

    PubMed

    Shemesh, Noam; Rosenberg, Jens T; Dumez, Jean-Nicolas; Muniz, Jose A; Grant, Samuel C; Frydman, Lucio

    2014-01-01

    (1)H magnetic resonance spectroscopy (MRS) yields site-specific signatures that directly report metabolic concentrations, biochemistry and kinetics-provided spectral sensitivity and quality are sufficient. Here, an enabling relaxation-enhanced (RE) MRS approach is demonstrated that by combining highly selective spectral excitations with operation at very high magnetic fields, delivers spectra exhibiting signal-to-noise ratios >50:1 in under 6 s for ~5 × 5 × 5 (mm)(3) voxels, with flat baselines and no interference from water. With this spectral quality, MRS was used to interrogate a number of metabolic properties in stroked rat models. Metabolic confinements imposed by randomly oriented micro-architectures were detected and found to change upon ischaemia; intensities of downfield resonances were found to be selectively altered in stroked hemispheres; and longitudinal relaxation time of lactic acid was found to increase by over 50% its control value as early as 3-h post ischaemia, paralleling the onset of cytotoxic oedema. These results demonstrate potential of (1)H MRS at ultrahigh fields. PMID:25229942

  2. Estimation of water retention parameters from nuclear magnetic resonance relaxation time distributions.

    PubMed

    Costabel, Stephan; Yaramanci, Ugur

    2013-04-01

    [1] For characterizing water flow in the vadose zone, the water retention curve (WRC) of the soil must be known. Because conventional WRC measurements demand much time and effort in the laboratory, alternative methods with shortened measurement duration are desired. The WRC can be estimated, for instance, from the cumulative pore size distribution (PSD) of the investigated material. Geophysical applications of nuclear magnetic resonance (NMR) relaxometry have successfully been applied to recover PSDs of sandstones and limestones. It is therefore expected that the multiexponential analysis of the NMR signal from water-saturated loose sediments leads to a reliable estimation of the WRC. We propose an approach to estimate the WRC using the cumulative NMR relaxation time distribution and approximate it with the well-known van-Genuchten (VG) model. Thereby, the VG parameter n, which controls the curvature of the WRC, is of particular interest, because it is the essential parameter to predict the relative hydraulic conductivity. The NMR curves are calibrated with only two conventional WRC measurements, first, to determine the residual water content and, second, to define a fixed point that relates the relaxation time to a corresponding capillary pressure. We test our approach with natural and artificial soil samples and compare the NMR-based results to WRC measurements using a pressure plate apparatus and to WRC predictions from the software ROSETTA. We found that for sandy soils n can reliably be estimated with NMR, whereas for samples with clay and silt contents higher than 10% the estimation fails. This is the case when the hydraulic properties of the soil are mainly controlled by the pore constrictions. For such samples, the sensitivity of the NMR method for the pore bodies hampers a plausible WRC estimation. Citation: Costabel, S., and U. Yaramanci (2013), Estimation of water retention parameters from nuclear magnetic resonance relaxation time distributions, Water

  3. Phospholipid bilayer relaxation dynamics as revealed by the pulsed electron-electron double resonance of spin labels

    NASA Astrophysics Data System (ADS)

    Syryamina, V. N.; Dzuba, S. A.

    2012-10-01

    Electron paramagnetic resonance (EPR) spectroscopy in the form of pulsed electron-electron double resonance (ELDOR) was applied to 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) phospholipid bilayers containing lipids that were spin-labeled at different carbon positions along the lipid acyl chain. Pulsed ELDOR detects motionally induced spin flips of nitrogen nuclei in the nitroxide spin labels, which manifests itself as magnetization transfer (MT) in the nitroxide EPR spectrum. The MT effect was observed over a wide temperature range (100-225 K) on a microsecond time scale. In line with a previous study on molecular glasses [N. P. Isaev and S. A. Dzuba, J. Chem. Phys. 135, 094508 (2011), 10.1063/1.3633241], the motions that induce MT effect were suggested to have the same nature as those in dielectric secondary (β) Johari-Goldstein fast relaxation. The results were compared with literature dielectric relaxation data for POPC bilayers, revealing some common features. Molecular motions resulting in MT are faster for deeper spin labels in the membrane interior. The addition of cholesterol to the bilayer suppresses the lipid motions near the steroid nucleus and accelerates the lipid motions beyond the steroid nucleus, in the bilayer interior. This finding was attributed to the lipid acyl chains being more ordered near the steroid nucleus and less ordered in the bilayer interior. The motions are absent in dry lipids, indicating that the motions are determined by intermolecular interactions in the bilayer.

  4. High resolution NMR study of T{sub 1} magnetic relaxation dispersion. IV. Proton relaxation in amino acids and Met-enkephalin pentapeptide

    SciTech Connect

    Pravdivtsev, Andrey N.; Yurkovskaya, Alexandra V.; Ivanov, Konstantin L.; Vieth, Hans-Martin

    2014-10-21

    Nuclear Magnetic Relaxation Dispersion (NMRD) of protons was studied in the pentapeptide Met-enkephalin and the amino acids, which constitute it. Experiments were run by using high-resolution Nuclear Magnetic Resonance (NMR) in combination with fast field-cycling, thus enabling measuring NMRD curves for all individual protons. As in earlier works, Papers I–III, pronounced effects of intramolecular scalar spin-spin interactions, J-couplings, on spin relaxation were found. Notably, at low fields J-couplings tend to equalize the apparent relaxation rates within networks of coupled protons. In Met-enkephalin, in contrast to the free amino acids, there is a sharp increase in the proton T{sub 1}-relaxation times at high fields due to the changes in the regime of molecular motion. The experimental data are in good agreement with theory. From modelling the relaxation experiments we were able to determine motional correlation times of different residues in Met-enkephalin with atomic resolution. This allows us to draw conclusions about preferential conformation of the pentapeptide in solution, which is also in agreement with data from two-dimensional NMR experiments (rotating frame Overhauser effect spectroscopy). Altogether, our study demonstrates that high-resolution NMR studies of magnetic field-dependent relaxation allow one to probe molecular mobility in biomolecules with atomic resolution.

  5. PREFACE: 13th International Conference on Muon Spin Rotation, Relaxation and Resonance

    NASA Astrophysics Data System (ADS)

    2014-12-01

    The 13th International Conference on Muon Spin Rotation, Relaxation and Resonance (μSR2014) organized by the Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institute in collaboration with the University of Zurich and the University of Fribourg, was held in Grindelwald, Switzerland from 1st to 6th June 2014. The conference provided a forum for researchers from around the world with interests in the applications of μSR to study a wide range of topics including condensed matter physics, materials and molecular sciences, chemistry and biology. Polarized muons provide a unique and versatile probe of matter, enabling studies at the atomic level of electronic structure and dynamics in a wide range of systems. The conference was the thirteenth in a series, which began in Rorschach in 1978 and it took place for the third time in Switzerland. The previous conferences were held in Cancun, Mexico (2011), Tsukuba, Japan (2008), Oxford, UK (2005), Williamsburg, USA (2002), Les Diablerets, Switzerland (1999), Nikko, Japan (1996), Maui, USA (1993), Oxford, UK (1990), Uppsala, Sweden (1986), Shimoda, Japan (1983), Vancouver, Canada (1980), and Rorschach, Switzerland (1978). These conference proceedings contain 67 refereed publications from presentations covering magnetism, superconductivity, chemistry, semiconductors, biophysics and techniques. The conference logo, displayed in the front pages of these proceedings, represents both the location of μSR2014 in the Alps and the muon-spin rotation technique. The silhouette represents the famous local mountains Eiger, Mönch and Jungfrau as drawn by the Swiss painter Ferdinand Hodler and the apple with arrow is at the same time a citation of the Wilhelm Tell legend and a remembrance of the key role played by the muon spin and the asymmetric muon decay (which for the highest positron energy has an apple like shape). More than 160 participants (including 32 registered as students and 13 as accompanying persons) from 19 countries

  6. Magnetic decoupling studies of Rb relaxation in Xe

    NASA Astrophysics Data System (ADS)

    Griffith, W. M.; Walter, D. K.; Happer, W.

    2001-05-01

    We present the results of extensive experiments on the relaxation of ^85Rb and ^87Rb due to gas-phase interactions with Xe in the presence of third-body gases in the pressure range from tens of torr to more than an atmosphere. By studying the relaxation as a function of applied magnetic field from 0 to 6000 G, we are able to separate the Rb relaxation into contributions from Rb--Xe binary collisions and from Rb--Xe van der Waals molecules. We have determined to high accuracy the strength of the Rb--Xe spin-rotation coupling constant, and we report the temperature dependences of the Rb--Xe binary relaxation cross section, the molecular formation rate, and the molecular break-up rate.

  7. Understanding the effects of diffusion and relaxation in magnetic resonance imaging using computational modeling

    NASA Astrophysics Data System (ADS)

    Russell, Greg

    The work described in this dissertation was motivated by a desire to better understand the cellular pathology of ischemic stroke. Two of the three bodies of research presented herein address and issue directly related to the investigation of ischemic stroke through the use of diffusion weighted magnetic resonance imaging (DWMRI) methods. The first topic concerns the development of a computationally efficient finite difference method, designed to evaluate the impact of microscopic tissue properties on the formation of DWMRI signal. For the second body of work, the effect of changing the intrinsic diffusion coefficient of a restricted sample on clinical DWMRI experiments is explored. The final body of work, while motivated by the desire to understand stroke, addresses the issue of acquiring large amounts of MRI data well suited for quantitative analysis in reduced scan time. In theory, the method could be used to generate quantitative parametric maps, including those depicting information gleaned through the use of DWMRI methods. Chapter 1 provides an introduction to several topics. A description of the use of DWMRI methods in the study of ischemic stroke is covered. An introduction to the fundamental physical principles at work in MRI is also provided. In this section the means by which magnetization is created in MRI experiments, how MRI signal is induced, as well as the influence of spin-spin and spin-lattice relaxation are discussed. Attention is also given to describing how MRI measurements can be sensitized to diffusion through the use of qualitative and quantitative descriptions of the process. Finally, the reader is given a brief introduction to the use of numerical methods for solving partial differential equations. In Chapters 2, 3 and 4, three related bodies of research are presented in terms of research papers. In Chapter 2, a novel computational method is described. The method reduces the computation resources required to simulate DWMRI experiments. In

  8. Debye Relaxations, Fano Resonances and Heterophase Oscillations in the Relaxor K1-xLixTaO3

    NASA Astrophysics Data System (ADS)

    Toulouse, Jean; Cai, Ling; Pattnaik, Radha; Boatner, Lynn

    2013-03-01

    Besides characteristic dielectric relaxations, relaxor ferroelectrics have also been shown to exhibit strong resonances. These resonances are related to the ubiquitous presence of polar nanodomains in relaxors in their ``paraelectric'' phase below a certain temperature T*. In the relaxor K1-xLixTaO3 (KLT), the dielectric spectrum reveals pairs of coupled resonances with a Fano-type line shape that evolves dramatically with temperature. At higher temperature, the line shape reflects the close interplay between relaxations and resonances. Near the phase transition, it reveals the existence of coherent heterophase fluctuations. KLT provides a good example of the multiscale dynamics (from nano to macro) that is intrinsic to relaxors. This work was partially supported by grant DE-FG02-06ER46318 from the US Department of Energy.

  9. Spin-Wave Resonance and Relaxation in CoFeB/Cr Superlattices

    NASA Astrophysics Data System (ADS)

    Gong, Yu; Cevher, Zehra; Ren, Yuhang; Imrane, Hassan; Sun, Nian X.

    2009-03-01

    We investigated the magnetic anisotropic properties and the spin wave relaxation in ten periods of CoFeB/Cr/CoFeB films grown on seed layers of Cu (˜ 5 nm) with Co : Fe : B composition ratio as 2:2:1. The measurements were taken in samples with 50-angstrom layers of CoFeB using both the time-resolved pump-probe magneto-optical sampling and the ferromagnetic resonance techniques. The thickness of the Cr interlayers ranges from 4-angstrom to 40-angstrom for investigating the mechanisms of interlayer coupling and exchange interactions. Both the acoustic branch and the optical branch in spin wave resonance spectra are identified. We determine the magnetic anisotropic parameters by measuring spin wave frequency as a function of external magnetic field in the time domain and by orthogonally rotating the field aligned axis with respect to the spectral field in the frequency domain. Moreover, we estimate the intrinsic Gilbert damping for the in-plane magnetization orientation. When the interlayer coupling is weaker, the damping increases significantly.

  10. Dissociative ionization at high laser intensities: importance of resonances and relaxation for fragmentation

    NASA Astrophysics Data System (ADS)

    Trushin, S. A.; Fuß, W.; Schmid, W. E.

    2004-10-01

    We investigated dissociative single and double ionization of the metal carbonyls Ni(CO)4, Fe(CO)5 and Cr(CO)6 in the gas phase by means of laser pulses of different durations (30-110 fs) and wavelengths (0.8 and 1.35 µm) at intensities of 2 × 1012-2 × 1014 W cm-2. The mass spectra show striking differences: for example, Fe(CO)5 strongly fragments at 0.8 µm but little at 1.35 µm, whereas for Ni(CO)4 fragmentation is higher at 1.35 µm than at 0.8 µm chromium carbonyl shows little fragmentation at both wavelengths. In other cases, fragmentation first decreases and then increases again with intensity. These and other phenomena, also published ones, can readily be understood from long-known principles, namely resonances in the parent ions, sometimes also in the neutral molecules, in particular if relaxations are also taken into account. We emphasize that fragmentation and ionization are two separate processes. We also point out that in the process of dissociative ionization in intense laser radiation, one should generally consider intermediate states, even if there is no one-photon resonance.

  11. Studies of MRI relaxivities of gadolinium-labeled dendrons

    NASA Astrophysics Data System (ADS)

    Pan, Hongmu; Daniel, Marie-Christine

    2011-05-01

    In cancer detection, imaging techniques have a great importance in early diagnosis. The more sensitive the imaging technique and the earlier the tumor can be detected. Contrast agents have the capability to increase the sensitivity in imaging techniques such as magnetic resonance imaging (MRI). Until now, gadolinium-based contrast agents are mainly used for MRI, and show good enhancement. But improvement is needed for detection of smaller tumors at the earliest stage possible. The dendrons complexed with Gd(DOTA) were synthesized and evaluated as a new MRI contrast agent. The longitudinal and transverse relaxation effects were tested and compared with commercial drug Magnevist, Gd(DTPA).

  12. NMR relaxation study of water dynamics in superparamagnetic iron-oxide-loaded vesicles

    NASA Astrophysics Data System (ADS)

    Chen, Yu-Wen; Hsieh, Chu-Jung; Lin, Chao-Min; Hwang, Dennis W.

    2013-02-01

    Superparamagnetic iron oxide (SPIO) nanoparticles have been introduced as contrast agents for clinical applications in magnetic resonance imaging. Recently, SPIO has been also used for tracking cells. However, NMR relaxation of water molecules behaves differently in a SPIO solution and SPIO-loaded cells. In this study, we used water-in-oil-in-water double emulsions to mimic cellular environments. The MR relaxation induced by the SPIO-loaded vesicles and SPIO solution indicates that T2* is sensitive to the iron concentration alone, and the behavior was very similar in both SPIO-loaded vesicles and SPIO solution. However, T2 relaxation of water in SPIO-loaded vesicles was faster than that in a SPIO solution. In addition, the contribution of water inside and outside the vesicles was clarified by replacing H2O with D2O, and water inside the vesicles was found to cause a nonlinear iron concentration dependency. The studied dilution revealed that vesicle aggregation undergoes a structural transition upon dilution by a certain amount of water. R2* relaxation is sensitive to this structural change and shows an obvious nonlinear iron concentration dependency when the SPIO loading is sufficiently high. Random walk simulations demonstrated that in the assumed model, the vesicles aggregate structures causing the differences between R2* and R2 relaxation of water in vesicles in the presence of SPIO particles.

  13. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    SciTech Connect

    Mitchell, J.; Chandrasekera, T. C.

    2014-12-14

    The nuclear magnetic resonance transverse relaxation time T{sub 2}, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T{sub 2} provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T{sub 2} distributions demands appropriate processing of the measured data since T{sub 2} is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form −ant{sub e}{sup k} (where n is the number and t{sub e} the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T{sub 2} distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

  14. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    NASA Astrophysics Data System (ADS)

    Mitchell, J.; Chandrasekera, T. C.

    2014-12-01

    The nuclear magnetic resonance transverse relaxation time T2, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T2 provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T2 distributions demands appropriate processing of the measured data since T2 is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form -ant_e^k (where n is the number and te the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T2 distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

  15. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media.

    PubMed

    Mitchell, J; Chandrasekera, T C

    2014-12-14

    The nuclear magnetic resonance transverse relaxation time T2, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T2 provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T2 distributions demands appropriate processing of the measured data since T2 is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form -ante(k) (where n is the number and te the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T2 distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries. PMID:25494741

  16. Estimation of water retention parameters from nuclear magnetic resonance relaxation time distributions

    NASA Astrophysics Data System (ADS)

    Costabel, Stephan; Yaramanci, Ugur

    2013-04-01

    For characterizing water flow in the vadose zone, the water retention curve (WRC) of the soil must be known. Because conventional WRC measurements demand much time and effort in the laboratory, alternative methods with shortened measurement duration are desired. The WRC can be estimated, for instance, from the cumulative pore size distribution (PSD) of the investigated material. Geophysical applications of nuclear magnetic resonance (NMR) relaxometry have successfully been applied to recover PSDs of sandstones and limestones. It is therefore expected that the multiexponential analysis of the NMR signal from water-saturated loose sediments leads to a reliable estimation of the WRC. We propose an approach to estimate the WRC using the cumulative NMR relaxation time distribution and approximate it with the well-known van-Genuchten (VG) model. Thereby, the VG parameter n, which controls the curvature of the WRC, is of particular interest, because it is the essential parameter to predict the relative hydraulic conductivity. The NMR curves are calibrated with only two conventional WRC measurements, first, to determine the residual water content and, second, to define a fixed point that relates the relaxation time to a corresponding capillary pressure. We test our approach with natural and artificial soil samples and compare the NMR-based results to WRC measurements using a pressure plate apparatus and to WRC predictions from the software ROSETTA. We found that for sandy soils n can reliably be estimated with NMR, whereas for samples with clay and silt contents higher than 10% the estimation fails. This is the case when the hydraulic properties of the soil are mainly controlled by the pore constrictions. For such samples, the sensitivity of the NMR method for the pore bodies hampers a plausible WRC estimation.

  17. Broadening of the D lines and the relaxation of the resonance levels of sodium due to collisions with helium.

    NASA Technical Reports Server (NTRS)

    Lewis, E. L.; Mcnamara, L. F.

    1972-01-01

    Calculated potentials for the NaHe molecule are used to obtain collision-induced widths and shifts for the sodium D lines together with cross sections for fine-structure transitions and the relaxation of the multipole polarizations of the resonance levels. The atomic collision is treated in an adiabatic approximation in which the colliding atoms form a molecular system which rotates during the collision. We find the resonance lines to be broadened equally and to be approximately 70% wider, and with associated shifts of an order of magnitude smaller, than expected on the basis of van der Waals forces. The dependence of the cross sections for relaxation of the multipole polarizations of the resonance levels on the molecular-coupling conditions and the rotation of the system during collision is discussed and indicates a limitation of the sum rule for these cross sections.

  18. Iodine-xenon studies and the relax mass spectrometer

    NASA Astrophysics Data System (ADS)

    Gilmour, J. D.; Ash, R. D.; Lyon, I. C.; Johnston, W. A.; Hutchison, R.; Bridges, J. C.; Turner, G.

    1994-07-01

    RELAX combines a resonance ionization ion source with a cryogenic sample concentrator to achieve ultrasensitivity. Gas is extracted from samples using either a continuous wave laser microprobe based on an argon-ion laser or a filament microfurnace. Recent refinements in the operating procedure have resulted in optimum sensitivities such that detection rates of 1 cps are achieved from fewer than 500 atoms. A Xe-128 spike reservoir has also been added and characterized, allowing accurate determinations of absolute amounts of gas. We have completed a preliminary study of the iodine-xenon system in samples from the Bjurbole and Parnallee meteorites. Bjurbole chondrules ranging in mass from 5.45 mg to 260 micrograms were analyzed by laser microprobe. The results from these samples are consistent with an effectively uniform formation age, suggesting that the use of Bjurbole chondrules for calibration of this chronometer can be extended to samples in this size range. Samples from two chondrules from the Parnallee meteorite have been analyzed to date. An alpha-cristobalite-bearing chondrule (designated CB1) was found to have a formation age 4.62 +/- 0.44 Ma after Bjurboele, while a porphyritic olivine macrochondrule appears to have been reset after the decay of I-129(t1/2 17 Ma). Consideration of these results alongside Ar-Ar data from the macrochondrule and whole rock samples suggests that Parnallee has a complex history: The macrochondrule underwent an early postcrystallization degassing event but appears to have been essentially unaffected by the later (1.9 Ga) partial resetting of the bulk meteorite.

  19. NMR relaxation studies of the interaction of thiocyanate with lactoperoxidase.

    PubMed

    Crull, G B; Goff, H M

    1993-05-15

    The interaction of lactoperoxidase, LPO, with its substrate, thiocyanate, SCN-, has been investigated by 13C and 15N NMR relaxation measurements. When 0.1 M SCN-, enriched with either 13C or 15N, was titrated with native ferric lactoperoxidase a large change in the spin-lattice relaxation time of the respective nucleus was observed. In the presence of saturating amounts of CN-, a high affinity ligand for the heme iron, a similar but much smaller change in the relaxation time for SCN- was found. Studies of the rate of carbon relaxation as a function of temperature have shown that thiocyanate is in fast exchange between a site on the enzyme and bulk solution. When LPO in either the absence or presence of CN- was titrated with SCN- a linear increase in the relaxation time was observed. Dissociation constants (Kd values) have been determined from a least-squares analysis of these data. Apparent distances between the heme iron of lactoperoxidase and either the carbon or nitrogen atoms of bound thiocyanate ion have been determined through application of the Solomon-Bloembergen equation. These distances demonstrate that the observed association does not involve iron-thiocyanate coordination, suggesting the possibility of an anion binding site. PMID:8501464

  20. Ultrafast studies of photodissociation in solution: Dissociation, recombination and relaxation

    SciTech Connect

    King, J.C.

    1995-05-01

    Photodissociation of M(CO){sub 6} (M=Cr,Mo,W) and the formation of solvated M(CO){sub 5}{center_dot}S complex was studied in cyclohexane; rate-limiting step is vibrational energy relaxation from the new bond to the solvent. For both M=Cr and Mo, the primary relaxation occurs in 18 ps; for Cr, there is an additional vibrational relaxation (150 ps time scale) of a CO group poorly coupled to other modes. Relaxation of M=W occurs in 42 ps; several possible mechanisms for the longer cooling are discussed. Vibrational relaxation is also investigated for I{sub 2}{sup -} and IBr{sup {minus}} in nonpolar and slightly polar solvents. Attempts were made to discover the mechanism for the fast energy transfer in nonpolar solvent. The longer time scale dynamics of I{sub 3}{sup {minus}} and IBr{sub 2}{sup {minus}} were also studied; both formed a metastable complex following photodissociation and 90-95% return to ground state in 100 ps, implying a barrier to recombination of 4.3 kcal/mol and a barrier to escape of {ge}5.5 kcal/mol. The more complex photochemistry of M{sub 3}(CO){sub 12} (M=Fe,Ru) is also investigated, using visible and ultraviolet radiations, dissociation, geminate recombination, vibrational relaxation, and bridging structures and their reactions were studied. Attempts were made to extend ultrafast spectroscopy into the mid-infrared, but signal-to-noise was poor.

  1. NMR relaxation studies in doped poly-3-methylthiophene

    NASA Astrophysics Data System (ADS)

    Singh, K. Jugeshwar; Clark, W. G.; Gaidos, G.; Reyes, A. P.; Kuhns, P.; Thompson, J. D.; Menon, R.; Ramesh, K. P.

    2015-05-01

    NMR relaxation rates (1 /T1 ), magnetic susceptibility, and electrical conductivity studies in doped poly-3-methylthiophene are reported in this paper. The magnetic susceptibility data show the contributions from both Pauli and Curie spins, with the size of the Pauli term depending strongly on the doping level. Proton and fluorine NMR relaxation rates have been studied as a function of temperature (3-300 K) and field (for protons at 0.9, 9.0, 16.4, and 23.4 T, and for fluorine at 9.0 T). The temperature dependence of T1 is classified into three regimes: (a) For T <(g μBB /2 kB ) , the relaxation mechanism follows a modified Korringa relation due to electron-electron interactions and disorder. 1H - T1 is due to the electron-nuclear dipolar interaction in addition to the contact term. (b) For the intermediate temperature range (g μBB /2 kB ) relaxation mechanism is via spin diffusion to the paramagnetic centers. (c) In the high-temperature regime and at low Larmor frequency the relaxation follows the modified Bloembergen, Purcell, and Pound model. T1 data analysis has been carried out in light of these models depending upon the temperature and frequency range of study. Fluorine relaxation data have been analyzed and attributed to the P F6 reorientation. The cross relaxation among the 1H and 19F nuclei has been observed in the entire temperature range suggesting the role of magnetic dipolar interaction modulated by the reorientation of the symmetric molecular subgroups. The data analysis shows that the enhancement in the Korringa ratio is greater in a less conducting sample. Intra- and interchain hopping of charge carriers is found to be a dominant relaxation mechanism at low temperature. Frequency dependence of T1-1 on temperature shows that at low temperature [T <(g μBB /2 kB ) ] the system shows three dimensions and changes to quasi one dimension at

  2. PREFACE: 13th International Conference on Muon Spin Rotation, Relaxation and Resonance

    NASA Astrophysics Data System (ADS)

    2014-12-01

    The 13th International Conference on Muon Spin Rotation, Relaxation and Resonance (μSR2014) organized by the Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institute in collaboration with the University of Zurich and the University of Fribourg, was held in Grindelwald, Switzerland from 1st to 6th June 2014. The conference provided a forum for researchers from around the world with interests in the applications of μSR to study a wide range of topics including condensed matter physics, materials and molecular sciences, chemistry and biology. Polarized muons provide a unique and versatile probe of matter, enabling studies at the atomic level of electronic structure and dynamics in a wide range of systems. The conference was the thirteenth in a series, which began in Rorschach in 1978 and it took place for the third time in Switzerland. The previous conferences were held in Cancun, Mexico (2011), Tsukuba, Japan (2008), Oxford, UK (2005), Williamsburg, USA (2002), Les Diablerets, Switzerland (1999), Nikko, Japan (1996), Maui, USA (1993), Oxford, UK (1990), Uppsala, Sweden (1986), Shimoda, Japan (1983), Vancouver, Canada (1980), and Rorschach, Switzerland (1978). These conference proceedings contain 67 refereed publications from presentations covering magnetism, superconductivity, chemistry, semiconductors, biophysics and techniques. The conference logo, displayed in the front pages of these proceedings, represents both the location of μSR2014 in the Alps and the muon-spin rotation technique. The silhouette represents the famous local mountains Eiger, Mönch and Jungfrau as drawn by the Swiss painter Ferdinand Hodler and the apple with arrow is at the same time a citation of the Wilhelm Tell legend and a remembrance of the key role played by the muon spin and the asymmetric muon decay (which for the highest positron energy has an apple like shape). More than 160 participants (including 32 registered as students and 13 as accompanying persons) from 19 countries

  3. Rotational Mobility in a Crystal Studied by Dielectric Relaxation Spectroscopy

    ERIC Educational Resources Information Center

    Dionisio, Madalena S. C.; Diogo, Herminio P.; Farinha, J. P. S.; Ramos, Joaquim J. Moura

    2005-01-01

    A laboratory experiment for undergraduate physical chemistry courses that uses the experimental technique of dielectric relaxation spectroscopy to study molecular mobility in a crystal is proposed. An experiment provides an excellent opportunity for dealing with a wide diversity of important basic concepts in physical chemistry.

  4. Casein-Coated Fe5C2 Nanoparticles with Superior r2 Relaxivity for Liver-Specific Magnetic Resonance Imaging

    PubMed Central

    Cowger, Taku A.; Tang, Wei; Zhen, Zipeng; Hu, Kai; Rink, David E.; Todd, Trever J.; Wang, Geoffrey D.; Zhang, Weizhong; Chen, Hongmin; Xie, Jin

    2015-01-01

    Iron oxide nanoparticles have been extensively used as T2 contrast agents for liver-specific magnetic resonance imaging (MRI). The applications, however, have been limited by their mediocre magnetism and r2 relaxivity. Recent studies show that Fe5C2 nanoparticles can be prepared by high temperature thermal decomposition. The resulting nanoparticles possess strong and air stable magnetism, suggesting their potential as a novel type of T2 contrast agent. To this end, we improve the synthetic and surface modification methods of Fe5C2 nanoparticles, and investigated the impact of size and coating on their performances for liver MRI. Specifically, we prepared 5, 14, and 22 nm Fe5C2 nanoparticles and engineered their surface by: 1) ligand addition with phospholipids, 2) ligand exchange with zwitterion-dopamine-sulfonate (ZDS), and 3) protein adsorption with casein. It was found that the size and surface coating have varied levels of impact on the particles' hydrodynamic size, viability, uptake by macrophages, and r2 relaxivity. Interestingly, while phospholipid- and ZDS-coated Fe5C2 nanoparticles showed comparable r2, the casein coating led to an r2 enhancement by more than 2 fold. In particular, casein coated 22 nm Fe5C2 nanoparticle show a striking r2 of 973 mM-1s-1, which is one of the highest among all of the T2 contrast agents reported to date. Small animal studies confirmed the advantage of Fe5C2 nanoparticles over iron oxide nanoparticles in inducing hypointensities on T2-weighted MR images, and the particles caused little toxicity to the host. The improvements are important for transforming Fe5C2 nanoparticles into a new class of MRI contrast agents. The observations also shed light on protein-based surface modification as a means to modulate contrast ability of magnetic nanoparticles. PMID:26379788

  5. On resonance phase alternated CWFP sequences for rapid and simultaneous measurement of relaxation times.

    PubMed

    Monaretto, Tatiana; Andrade, Fabiana Diuk; Moraes, Tiago Bueno; Souza, Andre Alves; deAzevedo, Eduardo Ribeiro; Colnago, Luiz Alberto

    2015-10-01

    T1 and T2 relaxation times have been frequently used as probes for physical-chemical properties in several time-domain NMR applications (TD-NMR) such as food, polymers and petroleum industries. T2 measurements are usually achieved using the traditional Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence because it is a fast and robust method. On the other hand, the traditional methods for determining T1, i.e., inversion and saturation recovery, are time-consuming, driving several authors to develop rapid 1D and 2D methods to obtain T1 and T2 or T1/T2 ratio. However, these methods usually require sophisticated processing and/or high signal to noise ratio (SNR). This led us to develop simple methods for rapid and simultaneous determination of T1 and T2 using Continuous Wave Free Precession (CWFP) and Carr-Purcell Continuous Wave Free Precession (CP-CWFP) pulse sequences. Nevertheless, a drawback of these sequences is that they require specific adjustment of the frequency offset or the time interval between pulses (Tp). In this paper we present an alternative form of these sequences, named CWFPx-x, CP-CWFPx-x, where a train of π/2 pulses with phases alternated by π enable performing the experiments on-resonance and independently of Tp, when Tprelaxation times are determined using the magnitude of the signals after the first pulse |M0| and in the steady-state |Mss|, as well as the exponential time constant T(∗) to reach the steady-state regime, as in conventional CWFP. CP-CWFPx-x shows the highest dynamic range to measure T(∗) among CWFP sequences and, therefore, is the best technique to measure T1 and T2 since it is less susceptible to SNR and can be performed for any T1/T2 ratio. PMID:26363504

  6. On resonance phase alternated CWFP sequences for rapid and simultaneous measurement of relaxation times

    NASA Astrophysics Data System (ADS)

    Monaretto, Tatiana; Andrade, Fabiana Diuk; Moraes, Tiago Bueno; Souza, Andre Alves; deAzevedo, Eduardo Ribeiro; Colnago, Luiz Alberto

    2015-10-01

    T1 and T2 relaxation times have been frequently used as probes for physical-chemical properties in several time-domain NMR applications (TD-NMR) such as food, polymers and petroleum industries. T2 measurements are usually achieved using the traditional Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence because it is a fast and robust method. On the other hand, the traditional methods for determining T1, i.e., inversion and saturation recovery, are time-consuming, driving several authors to develop rapid 1D and 2D methods to obtain T1 and T2 or T1/T2 ratio. However, these methods usually require sophisticated processing and/or high signal to noise ratio (SNR). This led us to develop simple methods for rapid and simultaneous determination of T1 and T2 using Continuous Wave Free Precession (CWFP) and Carr-Purcell Continuous Wave Free Precession (CP-CWFP) pulse sequences. Nevertheless, a drawback of these sequences is that they require specific adjustment of the frequency offset or the time interval between pulses (Tp). In this paper we present an alternative form of these sequences, named CWFPx-x, CP-CWFPx-x, where a train of π/2 pulses with phases alternated by π enable performing the experiments on-resonance and independently of Tp, when Tp < T2∗. Moreover, a CPMG type sequence with π/2 refocusing pulses shows similar results to CP-CWFP when the pulses are alternated between y and -y axis, CPMG90y-y. In these approaches, the relaxation times are determined using the magnitude of the signals after the first pulse |M0| and in the steady-state |Mss|, as well as the exponential time constant T∗ to reach the steady-state regime, as in conventional CWFP. CP-CWFPx-x shows the highest dynamic range to measure T∗ among CWFP sequences and, therefore, is the best technique to measure T1 and T2 since it is less susceptible to SNR and can be performed for any T1/T2 ratio.

  7. Nuclear magnetic relaxation studies of semiconductor nanocrystals and solids

    NASA Astrophysics Data System (ADS)

    Sachleben, J. R.

    1993-09-01

    Semiconductor nanocrystals, small biomolecules, and C-13 enriched solids were studied through the relaxation in NMR spectra. Surface structure of semiconductor nanocrystals (CdS) was deduced from high resolution H-1 and C-13 liquid state spectra of thiophenol ligands on the nanocrystal surfaces. The surface coverage by thiophenol was found to be low, being 5.6 and 26% for nanocrystal radii of 11.8 and 19.2 angstrom. Internal motion is estimated to be slow with a correlation time greater than 10(exp -8) s(exp -1). The surface thiophenol ligands react to form a dithiophenol when the nanocrystals were subjected to O2 and ultraviolet. A method for measuring (N-14)-(H-1) J-couplings is demonstrated on pyridine and the peptide oxytocin; selective 2D T(sub 1) and T(sub 2) experiments are presented for measuring relaxation times in crowded spectra with overlapping peaks in 1D, but relaxation effects interfere. Possibility of carbon-carbon cross relaxation in C-13 enriched solids is demonstrated by experiments on zinc acetate and L-alanine.

  8. Nuclear magnetic relaxation studies of semiconductor nanocrystals and solids

    SciTech Connect

    Sachleben, J. R.

    1993-09-01

    Semiconductor nanocrystals, small biomolecules, and {sup 13}C enriched solids were studied through the relaxation in NMR spectra. Surface structure of semiconductor nanocrystals (CdS) was deduced from high resolution {sup 1}H and {sup 13}C liquid state spectra of thiophenol ligands on the nanocrystal surfaces. The surface coverage by thiophenol was found to be low, being 5.6 and 26% for nanocrystal radii of 11.8 and 19.2 {angstrom}. Internal motion is estimated to be slow with a correlation time > 10{sup {minus}8} s{sup {minus}1}. The surface thiophenol ligands react to form a dithiophenol when the nanocrystals were subjected to O{sub 2} and ultraviolet. A method for measuring {sup 14}N-{sup 1}H J-couplings is demonstrated on pyridine and the peptide oxytocin; selective 2D T{sub 1} and T{sub 2} experiments are presented for measuring relaxation times in crowded spectra with overlapping peaks in 1D, but relaxation effects interfere. Possibility of carbon-carbon cross relaxation in {sup 13}C enriched solids is demonstrated by experiments on zinc acetate and L-alanine.

  9. The effect of diffusion in internal gradients on nuclear magnetic resonance transverse relaxation measurements

    SciTech Connect

    Muncaci, S.; Ardelean, I.; Boboia, S.

    2013-11-13

    In the present work we study the internal gradient effects on diffusion attenuation of the echo train appearing in the well-known Carr-Purcell-Meiboom-Gill (CPMG) technique, extensively used for transverse relaxation measurements. Our investigations are carried out on two porous ceramics, prepared with the same amount of magnetic impurities (Fe{sub 2}O{sub 3}) but different pore sizes. It is shown that diffusion effects on the CPMG echo train attenuation are strongly influenced by the pore size for the same magnetic susceptibility of the two samples. The experimental results were compared with a theoretical model taking into account the limit of free or restricted diffusion on echo train attenuation. The NMR experiments were performed on water filled samples using a low-field NMR instrument. The porous ceramics were prepared using both the replica technique and the powder compression technique. Magnetic susceptibility measurements indicated close values of the susceptibility constant for the two samples whereas the SEM images indicated different pore sizes. The results reported here may have impact in the interpretation of NMR relaxation measurements of water in soils or concrete samples.

  10. The effect of diffusion in internal gradients on nuclear magnetic resonance transverse relaxation measurements

    NASA Astrophysics Data System (ADS)

    Muncaci, S.; Boboia, S.; Ardelean, I.

    2013-11-01

    In the present work we study the internal gradient effects on diffusion attenuation of the echo train appearing in the well-known Carr-Purcell-Meiboom-Gill (CPMG) technique, extensively used for transverse relaxation measurements. Our investigations are carried out on two porous ceramics, prepared with the same amount of magnetic impurities (Fe2O3) but different pore sizes. It is shown that diffusion effects on the CPMG echo train attenuation are strongly influenced by the pore size for the same magnetic susceptibility of the two samples. The experimental results were compared with a theoretical model taking into account the limit of free or restricted diffusion on echo train attenuation. The NMR experiments were performed on water filled samples using a low-field NMR instrument. The porous ceramics were prepared using both the replica technique and the powder compression technique. Magnetic susceptibility measurements indicated close values of the susceptibility constant for the two samples whereas the SEM images indicated different pore sizes. The results reported here may have impact in the interpretation of NMR relaxation measurements of water in soils or concrete samples.

  11. Effects of fiber type and diet on nuclear magnetic resonance (NMR) relaxation times of skeletal muscle

    SciTech Connect

    Mardini, I.A.; McCarter, R.J.; Fullerton, G.D.

    1986-03-01

    NMR studies of muscle have typically used muscles of mixed fiber composition and have not taken into account the metabolic state of the host. Samples of psoas (type IIB fibers) and soleus (type I fibers) muscles were obtained from 3 groups of rabbits: group C, fed regular chow; group DK fed a potassium deficient diet; and group HC fed a high cholesterol diet. The T/sub 1/ and T/sub 2/ relaxation times of psoas and soleus muscles were not significantly different for group C. Following dietary manipulation, (groups KD and HC), however, the relaxation times of the psoas and soleus muscles were significantly different. There was also a significant difference in water content of psoas muscles in groups KD and HC vs. group C but the observed differences in NMR results could be only partially accounted for by the shift in water content. The authors results suggest that (1) changes in ion or cholesterol concentration are capable of inducing changes in water bonding and structuring in muscle tissues; (2) diet must be added to the growing list of environmental factors that can cause NMR contrast changes; (3) selective use of muscles rich in one fiber type or another for NMR measurements could provide either control or diagnostic information, related to changes in body composition.

  12. Backbone dynamics of barstar: a (15)N NMR relaxation study.

    PubMed

    Sahu, S C; Bhuyan, A K; Majumdar, A; Udgaonkar, J B

    2000-12-01

    Backbone dynamics of uniformly (15)N-labeled barstar have been studied at 32 degrees C, pH 6.7, by using (15)N relaxation data obtained from proton-detected 2D (1)H-(15)N NMR spectroscopy. (15)N spin-lattice relaxation rate constants (R(1)), spin-spin relaxation rate constants (R(2)), and steady-state heteronuclear (1)H-(15)N NOEs have been determined for 69 of the 86 (excluding two prolines and the N-terminal residue) backbone amide (15)N at a magnetic field strength of 14.1 Tesla. The primary relaxation data have been analyzed by using the model-free formalism of molecular dynamics, using both isotropic and axially symmetric diffusion of the molecule, to determine the overall rotational correlation time (tau(m)), the generalized order parameter (S(2)), the effective correlation time for internal motions (tau(e)), and NH exchange broadening contributions (R(ex)) for each residue. As per the axially symmetric diffusion, the ratio of diffusion rates about the unique and perpendicular axes (D( parallel)/D( perpendicular)) is 0.82 +/- 0.03. The two results have only marginal differences. The relaxation data have also been used to map reduced spectral densities for the NH vectors of these residues at three frequencies: 0, omega(H), and omega(N), where omega(H),(N) are proton and nitrogen Larmor frequencies. The value of tau(m) obtained from model-free analysis of the relaxation data is 5.2 ns. The reduced spectral density analysis, however, yields a value of 5.7 ns. The tau(m) determined here is different from that calculated previously from time-resolved fluorescence data (4.1 ns). The order parameter ranges from 0.68 to 0.98, with an average value of 0.85 +/- 0.02. A comparison of the order parameters with the X-ray B-factors for the backbone nitrogens of wild-type barstar does not show any considerable correlation. Model-free analysis of the relaxation data for seven residues required the inclusion of an exchange broadening term, the magnitude of which ranges from 2

  13. Multiple relaxation and inhomogeneous broadening in resonance enhanced Raman scattering - Application to tunable infrared generation

    NASA Technical Reports Server (NTRS)

    Ryan, J. C.; Lawandy, N. M.

    1989-01-01

    The solutions for the imaginary susceptibility of the Raman field transition with arbitrary relaxation rates and field strengths are examined for differing sets of relaxation rates with emphasis on alkali metal vapors which have spontaneous emission dominated relaxation. The model is further expanded to include Doppler broadening and used to predict the peak gain as a function of detuning for a frequency doubled alexandrite laser-pumped cesium vapor gain cell.

  14. Photoluminescence Study of Interdot Carrier Transfer on Strain-relaxed InAs Quantum Dots

    SciTech Connect

    Chiang, Chen-Hao; Chang, You-Cheng; Hsieh, Meng-Chien; Yang, Cheng-Hong; Wang, Jia-Feng; Chen, Jenn-Fang; Wu, Yue-Han; Chang, Li

    2011-12-23

    Photoluminescence (PL) properties of the strain relaxed InAs quantum dots (QDs) are studied as a function of temperature from 10 to 300 K. Two groups of QDs induced by strain relaxation are observed in the PL spectra. The PL peak position of the relaxed (non-relaxed) QDs locates at a higher (lower) energy. TEM image prove QDs are distributed into two groups and indicate the QDs relax the strain by diffusing indium to GaAs. In the 120-200 K temperature range, there are abnormal temperature behaviors attributed to the carrier transfer from the relaxed to non-relaxed QDs.

  15. Resonant spin amplification in nanostructures with anisotropic spin relaxation and spread of the electronic g factor

    SciTech Connect

    Glazov, M. M. Ivchenko, E. L.

    2008-08-15

    Spin dynamics of electrons in semiconductors and structures with quantum wells under conditions where pumping and probing are performed in the form of a periodical series of pulses is theoretically studied. It is shown that, at a fixed delay between the pump and probe pulses, the signal of spin amplification as a function of the magnetic field consists of a series of narrow peaks conditioned by commensurability of the period of spin precession and pulse repetition interval. In the case of anisotropic spin relaxation, the peak centered at the zero magnetic field is suppressed compared with the neighboring peaks. The role of inhomogeneous broadening of the frequency of the Larmor precession in the formation of the spin amplification signal is analyzed.

  16. Nuclear magnetic resonance studies of lens transparency

    SciTech Connect

    Beaulieu, C.F.

    1989-01-01

    Transparency of normal lens cytoplasm and loss of transparency in cataract were studied by nuclear magnetic resonance (NMR) methods. Phosphorus ({sup 31}P) NMR spectroscopy was used to measure the {sup 31}P constituents and pH of calf lens cortical and nuclear homogenates and intact lenses as a function of time after lens enucleation and in opacification produced by calcium. Transparency was measured with laser spectroscopy. Despite complete loss of adenosine triphosphate (ATP) within 18 hrs of enucleation, the homogenates and lenses remained 100% transparent. Additions of calcium to ATP-depleted cortical homogenates produced opacification as well as concentration-dependent changes in inorganic phosphate, sugar phosphates, glycerol phosphorylcholine and pH. {sup 1}H relaxation measurements of lens water at 200 MHz proton Larmor frequency studied temperature-dependent phase separation of lens nuclear homogenates. Preliminary measurements of T{sub 1} and T{sub 2} with non-equilibrium temperature changes showed a change in the slope of the temperature dependence of T{sub 1} and T{sub 2} at the phase separation temperature. Subsequent studies with equilibrium temperature changes showed no effect of phase separation on T{sub 1} or T{sub 2}, consistent with the phase separation being a low-energy process. {sup 1}H nuclear magnetic relaxation dispersion (NMRD) studies (measurements of the magnetic field dependence of the water proton 1/T{sub 1} relaxation rates) were performed on (1) calf lens nuclear and cortical homogenates (2) chicken lens homogenates, (3) native and heat-denatured egg white and (4) pure proteins including bovine {gamma}-II crystallin bovine serum albumin (BSA) and myoglobin. The NMRD profiles of all samples exhibited decreases in 1/T{sub 1} with increasing magnetic field.

  17. Spatial analysis of magnetic resonance T1ρ and T2 relaxation times improves classification between subjects with and without osteoarthritis

    PubMed Central

    Carballido-Gamio, Julio; Stahl, Robert; Blumenkrantz, Gabrielle; Romero, Adan; Majumdar, Sharmila; Link, Thomas M.

    2009-01-01

    Purpose: Studies have shown that functional analysis of knee cartilage based on magnetic resonance (MR) relaxation times is a valuable tool in the understanding of osteoarthritis (OA). In this work, the regional spatial distribution of knee cartilage T1ρ and T2 relaxation times based on texture and laminar analyses was studied to investigate if they provide additional insight compared to global mean values in the study of OA. Methods: Knee cartilage of 36 subjects, 19 healthy controls and 17 with mild OA, was divided into 16 compartments. T1ρ and T2 relaxation times were studied with first order statistics, eight texture parameters with four different orientations using gray-level co-occurrence matrices and by subdividing each compartment into two different layers: Deep and superficial. Receiver operating characteristic curve analysis was performed to evaluate the potential of each technique to correctly classify the populations. Results: Although the deep and superficial cartilage layers had in general significantly different T1ρ and T2 relaxation times, they performed similarly in terms of subject discrimination. The subdivision of lateral and medial femoral compartments into weight-bearing and non-weight-bearing regions did not improve discrimination. Also it was found that the most sensitive region was the patella and that T1ρ discriminated better than T2. The most important finding was that with respect to global mean values, laminar and texture analyses improved subject discrimination. Conclusions: Results of this study suggest that spatially assessing MR images of the knee cartilage relaxation times using laminar and texture analyses could lead to better and probably earlier identification of cartilage matrix abnormalities in subjects with OA. PMID:19810478

  18. Structure–Redox–Relaxivity Relationships for Redox Responsive Manganese-Based Magnetic Resonance Imaging Probes

    PubMed Central

    2015-01-01

    A library of 10 Mn-containing complexes capable of switching reversibly between the Mn(II) and Mn(III) oxidation states was prepared and evaluated for potential usage as MRI reporters of tissue redox activity. We synthesized N-(2-hydroxybenzyl)-N,N′,N′-ethylenediaminetriacetic acid (HBET) and N-(2-hydroxybenzyl-N,N′,N′-trans-1,2-cyclohexylenediaminetriacetic acid (CyHBET) ligands functionalized (−H, −OMe, −NO2) at the 5-position of the aromatic ring. The Mn(II) complexes of all ligands and the Mn(III) complexes of the 5-H and 5-NO2 functionalized ligands were synthesized and isolated, but the Mn(III) complexes with the 5-OMe functionalized ligands were unstable. 1H relaxivity of the 10 isolable complexes was measured at pH 7.4 and 37 °C, 1.4 T. Thermodynamic stability, pH-dependent complex speciation, hydration state, water exchange kinetics of the Mn(II) complexes, and pseudo-first order reduction kinetics of the Mn(III) complexes were studied using a combination of pH-potentiometry, UV–vis spectroscopy, and 1H and 17O NMR measurements. The effects of ligand structural and electronic modifications on the Mn(II/III) redox couple were studied by cyclic voltammetry. The Mn(II) complexes are potent relaxation agents as compared to the corresponding Mn(III) species with [MnII(CyHBET)(H2O)]2– exhibiting a 7.5-fold higher relaxivity (3.3 mM–1 s–1) than the oxidized form (0.4 mM–1 s–1). At pH 7.4, Mn(II) exists as a mixture of fully deprotonated (ML) and monoprotonated (HML) complexes and Mn(II) complex stability decreases as the ligands become more electron-releasing (pMn for 10 μM [MnII(CyHBET–R′)(H2O)]2– decreases from 7.6 to 6.2 as R′ goes from −NO2 to −OMe, respectively). HML speciation increases as the electron-releasing nature of the phenolato-O donor increases. The presence of a water coligand is maintained upon conversion from HML to ML, but the water exchange rate of ML is faster by up to 2 orders of magnitude (kex310 for

  19. Long-Lasting and Efficient Tumor Imaging Using a High Relaxivity Polysaccharide Nanogel Magnetic Resonance Imaging Contrast Agent.

    PubMed

    Chan, Minnie; Lux, Jacques; Nishimura, Tomoki; Akiyoshi, Kazunari; Almutairi, Adah

    2015-09-14

    Clinically approved small-molecule magnetic resonance imaging (MRI) contrast agents are all rapidly cleared from the body and offer weak signal enhancement. To avoid repeated administration of contrast agent and improve signal-to-noise ratios, agents with stronger signal enhancement and better retention in tumors are needed. Therefore, we focused on hydrogels because of their excellent water accessibility and biodegradability. Gadolinium (Gd)-chelating cross-linkers were incorporated into self-assembled pullulan nanogels to both impart magnetic properties and to stabilize this material that has been extensively studied for medical applications. We show that these Gd-chelating pullulan nanogels (Gd-CHPOA) have the highest reported relaxivity for any hydrogel-based particles and accumulate in the 4T1 tumors in mice at high levels 4 h after injection. This combination offers high signal enhancement and lasts up to 7 days to delineate the tumor clearly for longer imaging time scales. Importantly, this long-term accumulation does not cause any damage or toxicity in major organs up to three months after injection. Our work highlights the clinical potential of Gd-CHPOA as a tumor-imaging MRI contrast agent, permitting tumor identification and assessment with a high signal-to-background ratio. PMID:26278775

  20. Nuclear Magnetic Resonance Technology for Medical Studies.

    ERIC Educational Resources Information Center

    Budinger, Thomas F.; Lauterbur, Paul C.

    1984-01-01

    Reports on the status of nuclear magnetic resonance (NMR) from theoretical and clinical perspectives, reviewing NMR theory and relaxation parameters relevant to NMR imaging. Also reviews literature related to modern imaging strategies, signal-to-noise ratio, contrast agents, in vivo spectroscopy, spectroscopic imaging, clinical applications, and…

  1. The influences of different spatial resolutions on the characteristics of T2 relaxation times in articular cartilage: A coarse-graining study of the microscopic magnetic resonance imaging data.

    PubMed

    Zhuang, Zhiguo; Lee, Ji Hyun; Badar, Farid; Xu, Jianrong; Xia, Yang

    2016-08-01

    Microscopic magnetic resonance imaging (µMRI) T2 data from canine cartilage at different tibial locations were analyzed to investigate the influences of spatial resolution and pixel position on the T2 sensitivity to osteoarthritis (OA). Five experimental factors were investigated: inaccurate pixel position, different pixel resolutions, different specimen orientations in the magnetic field, topographical variations over the tibial surface, and different OA stages. A number of significant trends were identified in this analysis, which shows the subtle but substantial influences to our abilities of detecting OA due to T2 changes. In particular, any deviation in locating the cartilage pixels may result in erratic values near the cartilage surface. Significant differences were found in T2 values between nearly any two comparison-groups under all resolutions both in the meniscus-covered and -uncovered areas, which were also showed interaction between the OA degradation stages. This multiresolution project should help to improve the detection sensitivities of MRI toward cartilage degeneration. Microsc. Res. Tech. 79:754-765, 2016. © 2016 Wiley Periodicals, Inc. PMID:27297720

  2. Relaxation Nuclear Magnetic Resonance Imaging Investigation of Heterogeneous Aging in a Hydroxy-Terminated Polybutadiene-Based Elastomer

    SciTech Connect

    Alam, Todd M.; Cherry, Brian R.; Minard, Kevin R.; Celina, Mat C.

    2005-12-27

    Relaxation nuclear magnetic resonance imaging (R-NMRI) was employed to investigate the effects of thermo-oxidative aging in a hydroxy-terminated polybutadiene (HTPB) based elastomer. A series of three-dimensional (3D) Hahn-echo weighted single point images (SPI) of the elastomer were utilized to generate a 3D parameter map of the aged material. NMR spin-spin relaxation times (T2) were measured for each voxel producing a 3D NMR parameter (T2) map of the aged polymer. These T2 maps reveal a dramatic reduction of local polymer mobility near the aging surface with the degree of T2 heterogeneity varying as a function of aging. Using correlations between NMR T2 and material modulus, the impact of this heterogeneous thermo-oxidative aging on the material properties is discussed.

  3. Effects of Studying to Music and Post-Study Relaxation on Reading Comprehension.

    ERIC Educational Resources Information Center

    Etaugh, Claire; Ptasnik, Patricia

    1982-01-01

    Twenty female and 20 male college students studied a passage in quiet surroundings or while listening to preferred music and then either relaxed or read unrelated material. Reading comprehension of the passage was facilitated by silent study for subjects who seldom listen to music and by poststudy relaxation. (Author)

  4. NMR spin-lattice relaxation time T(1) of thin films obtained by magnetic resonance force microscopy.

    PubMed

    Saun, Seung-Bo; Won, Soonho; Kwon, Sungmin; Lee, Soonchil

    2015-05-01

    We obtained the NMR spectrum and the spin-lattice relaxation time (T1) for thin film samples by magnetic resonance force microscopy (MRFM). The samples were CaF2 thin films which were 50 nm and 150 nm thick. T1 was measured at 18 K using a cyclic adiabatic inversion method at a fixed frequency. A comparison of the bulk and two thin films showed that T1 becomes shorter as the film thickness decreases. To make the comparison as accurate as possible, all three samples were loaded onto different beams of a multi-cantilever array and measured in the same experimental environment. PMID:25828244

  5. NMR spin-lattice relaxation time T1 of thin films obtained by magnetic resonance force microscopy

    NASA Astrophysics Data System (ADS)

    Saun, Seung-Bo; Won, Soonho; Kwon, Sungmin; Lee, Soonchil

    2015-05-01

    We obtained the NMR spectrum and the spin-lattice relaxation time (T1) for thin film samples by magnetic resonance force microscopy (MRFM). The samples were CaF2 thin films which were 50 nm and 150 nm thick. T1 was measured at 18 K using a cyclic adiabatic inversion method at a fixed frequency. A comparison of the bulk and two thin films showed that T1 becomes shorter as the film thickness decreases. To make the comparison as accurate as possible, all three samples were loaded onto different beams of a multi-cantilever array and measured in the same experimental environment.

  6. HRXRD studies of strain relaxation in ion-implanted strained Si on relaxed Si 1- xGe x

    NASA Astrophysics Data System (ADS)

    Phen, M. S.; Craciun, V.; Jones, K. S.; Hansen, J. L.; Larsen, A. N.

    2006-12-01

    The relaxation process of ion-implanted strained silicon films grown on silicon-rich relaxed Si 1- xGe x alloys was studied to determine the critical strain regime necessary for the breakdown of solid phase epitaxial recrystallization. Experimental structures were grown via molecular beam epitaxy (MBE) and contained a 50 nm strained silicon capping layer on relaxed Si 1- xGe x. The relaxed Si 1- xGe x alloy compositions range from 0 to 30 at.% germanium. A 12 keV Si + implant at a fluence of 1 × 10 15 atoms/cm 2 was used to generate an amorphous layer ˜30 nm thick, confining it to the strained silicon cap. The degree of relaxation of the silicon cap layer was quantified by high-resolution X-ray diffraction (HRXRD) omega-2theta rocking curves and reciprocal space maps. Maps were acquired for the (0 0 4) and (1 1 3) reflections to obtain the in and out-of-plane lattice parameter of the layers. Upon annealing, the solid phase regrowth (SPER) process broke down for the highest level of strain. Additionally, regrowth related defects were observed in these samples using cross-sectional transmission electron microscopy (XTEM). These results indicate a reduction of strain in the Si 0.7Ge 0.3 samples occur as a result of SPER breakdown that generated dislocations and stacking faults throughout the silicon capping layer.

  7. NMR Relaxation and Diffusion Study of Ultrasound Recycling of Polyurethanes

    NASA Astrophysics Data System (ADS)

    von Meerwall, E.; Ghose, S.; Isayev, A. I.

    2004-04-01

    We have examined the effect of intense ultrasound on unfilled polyurethane foam and rubber using proton NMR transverse relaxation and pulsed-gradient diffusion studies, sol extraction, GPC characterization, and glass transition measurements. Results correlate well with ultrasound amplitude. The proton T2 relaxation at 70.5 deg. C exhibits three discrete components, due to heavily entangled sol and crosslinked network; unentangled polymeric sol plus dangling network chain ends; and oligomer remnants. Devulcanizing produces heavy sol, increases segmental mobility of all species, and generates more dangling chain ends. In foams, but not in rubber, additional light sol is generated at the expense of network. All mobilities are significantly lower than in the other rubbers we have studied, an effect unrelated to the glass transition, nearly constant at -60 deg. C. Diffusion measurements, possible only in foams, show a bimodal spectrum whose fast component slows markedly with ultrasound amplitude, attesting to the production of fragments heavier than the original oligomers, as confirmed by GPC analysis. This work is the first to study ultrasound devulcanization in industrial rubbery foams.

  8. Nuclear magnetic resonance relaxation and diffusion in the presence of internal gradients: the effect of magnetic field strength.

    PubMed

    Mitchell, J; Chandrasekera, T C; Johns, M L; Gladden, L F; Fordham, E J

    2010-02-01

    It is known that internal magnetic field gradients in porous materials, caused by susceptibility differences at the solid-fluid interfaces, alter the observed effective Nuclear Magnetic Resonance transverse relaxation times T2,eff. The internal gradients scale with the strength of the static background magnetic field B0. Here, we acquire data at various magnitudes of B0 to observe the influence of internal gradients on T2-T2 exchange measurements; the theory discussed and observations made are applicable to any T2-T2 analysis of heterogeneous materials. At high magnetic field strengths, it is possible to observe diffusive exchange between regions of local internal gradient extrema within individual pores. Therefore, the observed exchange pathways are not associated with pore-to-pore exchange. Understanding the significance of internal gradients in transverse relaxation measurements is critical to interpreting these results. We present the example of water in porous sandstone rock and offer a guideline to determine whether an observed T2,eff relaxation time distribution reflects the pore size distribution for a given susceptibility contrast (magnetic field strength) and spin echo separation. More generally, we confirm that for porous materials T1 provides a better indication of the pore size distribution than T2,eff at high magnetic field strengths (B0>1 T), and demonstrate the data analysis necessary to validate pore size interpretations of T2,eff measurements. PMID:20365625

  9. Zeolite GdNaY nanoparticles with very high relaxivity for application as contrast agents in magnetic resonance imaging.

    PubMed

    Platas-Iglesias, Carlos; Vander Elst, Luce; Zhou, Wuzong; Muller, Robert N; Geraldes, Carlos F G C; Maschmeyer, Thomas; Peters, Joop A

    2002-11-15

    In this paper we explore Gd(3+)-doped zeolite NaY nanoparticles for their potential application as a contrast agent in magnetic resonance imaging (MRI). The nanoparticles have an average size of 80-100 nm, as determined by TEM and XRD. A powdered sample loaded with La3+ was characterised by means of multinuclear solid-state NMR spectroscopy. The NMR dispersion (NMRD) profiles obtained from aqueous suspensions of samples with Gd3+ doping ratios of 1.3-5.4 wt% were obtaining at different temperatures. The relaxivity increases drastically as the Gd3+ loading decreases, with values ranging between 11.4 and 37.7 s-1 mM-1 at 60 MHz and 37 degrees C. EPR spectra of aqueous suspensions of the samples suggest that an interaction between neighbouring Gd3+ ions within the same particle produces a significant increase in the transversal electronic relaxation rates in samples with a high Gd3+ content. The experimental NMRD and EPR data are explained with the use of a model that considers the system as a concentrated aqueous solution of Gd3+ in the interior of the zeolite that is in exchange with the bulk water outside the zeolite. The results obtained indicate that the Gd3+ ion is immobilised in the interior of the zeolite and that the relaxivity is mainly limited by the relatively slow diffusion of water protons from the pores of the zeolite channels into the bulk water. PMID:12613030

  10. Raman and nuclear magnetic resonance investigation of alkali metal vapor interaction with alkene-based anti-relaxation coating.

    PubMed

    Tretiak, O Yu; Blanchard, J W; Budker, D; Olshin, P K; Smirnov, S N; Balabas, M V

    2016-03-01

    The use of anti-relaxation coatings in alkali vapor cells yields substantial performance improvements compared to a bare glass surface by reducing the probability of spin relaxation in wall collisions by several orders of magnitude. Some of the most effective anti-relaxation coating materials are alpha-olefins, which (as in the case of more traditional paraffin coatings) must undergo a curing period after cell manufacturing in order to achieve the desired behavior. Until now, however, it has been unclear what physicochemical processes occur during cell curing, and how they may affect relevant cell properties. We present the results of nondestructive Raman-spectroscopy and magnetic-resonance investigations of the influence of alkali metal vapor (Cs or K) on an alpha-olefin, 1-nonadecene coating the inner surface of a glass cell. It was found that during the curing process, the alkali metal catalyzes migration of the carbon-carbon double bond, yielding a mixture of cis- and trans-2-nonadecene. PMID:26957176

  11. Raman and nuclear magnetic resonance investigation of alkali metal vapor interaction with alkene-based anti-relaxation coating

    NASA Astrophysics Data System (ADS)

    Tretiak, O. Yu.; Blanchard, J. W.; Budker, D.; Olshin, P. K.; Smirnov, S. N.; Balabas, M. V.

    2016-03-01

    The use of anti-relaxation coatings in alkali vapor cells yields substantial performance improvements compared to a bare glass surface by reducing the probability of spin relaxation in wall collisions by several orders of magnitude. Some of the most effective anti-relaxation coating materials are alpha-olefins, which (as in the case of more traditional paraffin coatings) must undergo a curing period after cell manufacturing in order to achieve the desired behavior. Until now, however, it has been unclear what physicochemical processes occur during cell curing, and how they may affect relevant cell properties. We present the results of nondestructive Raman-spectroscopy and magnetic-resonance investigations of the influence of alkali metal vapor (Cs or K) on an alpha-olefin, 1-nonadecene coating the inner surface of a glass cell. It was found that during the curing process, the alkali metal catalyzes migration of the carbon-carbon double bond, yielding a mixture of cis- and trans-2-nonadecene.

  12. Raman spin lattice relaxation time and Debye temperature studies of Cr in ammonium cobalt sulphate hexahydrate single crystal

    NASA Astrophysics Data System (ADS)

    Ravi, S.; Subramanian, P.

    2007-08-01

    Electron paramagnetic resonance (EPR) of Cr doped in (NH4)Co(SO4)·6H2O single crystal has been studied using Q band EPR spectrometer to find spin lattice relaxation time (SLRT) (T1). The observation of resolved chromium spectra at room temperature has been interpreted in terms of random modulation of interaction between trivalent chromium and divalent cobalt ions by SLRT of cobalt ions. The relaxation time of the host is found to be 6.95×10s using Mitsuma theory and 9.85×10s using Misra et al. approach at room temperature (300 K). Debye temperature of the host lattice is evaluated using electron spin lattice relaxation processes. It is found that the Debye temperature of the host is 110 K.

  13. Mesenteric artery contraction and relaxation studies using automated wire myography.

    PubMed

    Bridges, Lakeesha E; Williams, Cicely L; Pointer, Mildred A; Awumey, Emmanuel M

    2011-01-01

    Proximal resistance vessels, such as the mesenteric arteries, contribute substantially to the peripheral resistance. These small vessels of between 100-400 μm in diameter function primarily in directing blood flow to various organs according to the overall requirements of the body. The rat mesenteric artery has a diameter greater than 100 μm. The myography technique, first described by Mulvay and Halpern(1), was based on the method proposed by Bevan and Osher(2). The technique provides information about small vessels under isometric conditions, where substantial shortening of the muscle preparation is prevented. Since force production and sensitivity of vessels to different agonists is dependent on the extent of stretch, according to active tension-length relation, it is essential to conduct contraction studies under isometric conditions to prevent compliance of the mounting wires. Stainless steel wires are preferred to tungsten wires because of oxidation of the latter, which affects recorded responses(3).The technique allows for the comparison of agonist-induced contractions of mounted vessels to obtain evidence for normal function of vascular smooth muscle cell receptors. We have shown in several studies that isolated mesenteric arteries that are contracted with phenylyephrine relax upon addition of cumulative concentrations of extracellular calcium (Ca(2+)(e;)). The findings led us to conclude that perivascular sensory nerves, which express the G protein-coupled Ca(2+)-sensing receptor (CaR), mediate this vasorelaxation response. Using an automated wire myography method, we show here that mesenteric arteries from Wistar, Dahl salt-sensitive(DS) and Dahl salt-resistant (DR) rats respond differently to Ca(2+)(e;). Tissues from Wistar rats showed higher Ca(2+)-sensitivity compared to those from DR and DS. Reduced CaR expression in mesenteric arteries from DS rats correlates with reduced Ca(2+)(e;)-induced relaxation of isolated, pre-contracted arteries. The data

  14. A new application of the nonlinear dielectric method for studying relaxation processes in liquids

    NASA Astrophysics Data System (ADS)

    Górny, M.; Ziolo, J.; Rzoska, S. J.

    1996-12-01

    The measurement setup for studying changes of electric permittivity induced in liquids by a strong electric field nonlinear dielectric effect, (NDE) is presented. The construction is based on the idea of frequency modulation of an LC generator (with an inductance L and a capacitance C in resonant circuit), proposed by Malecki [J. Chem. Soc. Faraday Trans. II 72, 104 (1976)]. The strong electric field is applied in the form of rectangular pulses (typically 1-4 ms). The setup enables measurements in a broad range of frequencies (80 kHz-12 MHz) and contains a new calibrating system, minimizing the influence of systematic error on the measured NDE values. We also indicate menthol as a standard, reference liquid in NDE studies. New applications of the NDE technique for studying relaxation processes in critical solution are also presented. They are based on the time resolved analysis of NDE decay after switching off the strong electric field.

  15. A study of glaucine-induced relaxation of rat aorta.

    PubMed

    Loza, I; Orallo, F; Verde, I; Gil-Longo, J; Cadavid, I; Calleja, J M

    1993-06-01

    The vasorelaxant effect of glaucine, the major alkaloid of Platycapnos spicata (L.) Bernh., was studied. At concentrations of 10 microM-0.3 mM in normal Krebs solution it was almost equieffective in relaxing K(+)-induced and noradrenaline-induced tension in rat aortic rings without endothelium, with IC50 values of 160 +/- 16 microM and 90 +/- 14 microM respectively. In experiments in a calcium-free medium, 10 microM glaucine strongly inhibited noradrenaline-induced contractions. Glaucine (0.3 mM) did not affect basal uptake of 45Ca, but induced uptake was reduced to 100% (K+) and 97.7% (noradrenaline) of the basal value. These results suggest that glaucine has an intracellular effect and also acts on the cell membrane by blocking voltage-dependent and receptor-operated calcium channels. PMID:8316591

  16. Dielectric relaxation and birefringence study of 7.O5O.7 dimeric liquid crystal compound

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Debanjan; Paul-Choudhury, Sandip; Alapati, Parameswara Rao; Bhattacharjee, Ayon

    2016-05-01

    Measurement of dielectric relaxation and birefringence phenomenon of dimeric liquid crystal compound with the dependence of temperature was reported in this paper. Homogeneous (HG) and homeotropic (HT) alignment of the cell are introduced to investigate the dielectric relaxation, activation energy and birefringence. Cole-Cole plots analyzed the dielectric relaxation of the dimeric compound. The observed Cole-Cole plots were semi-circular, and the relaxation mechanism obeys the non-Debye type of relaxation behaviour. Slater's perturbation equations have been used to analysis the activation energy of the compound. The birefringence of the compound has positively anisotropy and thin prism mechanism was used to study the anisotropy of the compound.

  17. A resonance enhancement of the phase relaxation in the electron spin echo of nitroxide covalently attached to cytochrome c

    NASA Astrophysics Data System (ADS)

    Hilczer, W.; Goslar, J.; Gramza, M.; Hoffmann, S. K.; Blicharski, W.; Osyczka, A.; Turyna, B.; Froncisz, W.

    1995-12-01

    The spin lattice T1 and phase memory TM relaxation times were measured by an electron spin echo technique for the nitroxide spin label attached covalently to horse heart cytochrome c below 80 K for oxidized (Fe 3+) and reduced (Fe 2+) samples. T1 decreases on heating and below 10 K is governed by the direct relaxation process for the reduced sample. The spin-lattice relaxation is enhanced by a cross-relaxation to Fe 3+ in an oxidized sample. In the TM temperature dependence an unusual deep minimum appears at about 25 K. This resonance type effect which vanishes completely for the reduced sample is due to a coupling to the Fe 3+ spins. The spin-lattice relaxation rate of Fe 3+ is comparable to the TM of nitroxide at low temperature producing a minimum in TM when the Ti value corresponds to the spin packet width of excited spins.

  18. Spectroscopic Studies of the Super Relaxed State of Skeletal Muscle

    PubMed Central

    Naber, Nariman; Pate, Edward; Canton, Marcella; Reggiani, Carlo; Cooke, Roger

    2016-01-01

    In the super-relaxed state of myosin, ATPase activity is strongly inhibited by binding of the myosin heads to the core of the thick filament in a structure known as the interacting-heads motif. In the disordered relaxed state myosin heads are not bound to the core of the thick filament and have an ATPase rate that is 10 fold greater. In the interacting-heads motif the two regulatory light chains appear to bind to each other. We have made single cysteine mutants of the regulatory light chain, placed both paramagnetic and fluorescent probes on them, and exchanged them into skinned skeletal muscle fibers. Many of the labeled light chains tended to disrupt the stability of the super-relaxed state, and showed spectral changes in the transition from the disordered relaxed state to the super-relaxed state. These data support the putative interface between the two regulatory light chains identified by cryo electron microscopy and show that both the divalent cation bound to the regulatory light chain and the N-terminus of the regulatory light chain play a role in the stability of the super-relaxed state. One probe showed a shift to shorter wavelengths in the super-relaxed state such that a ratio of intensities at 440nm to that at 520nm provided a measure of the population of the super-relaxed state amenable for high throughput screens for finding potential pharmaceuticals. The results provide a proof of concept that small molecules that bind to this region can destabilize the super-relaxed state and provide a method to search for small molecules that do so leading to a potentially effective treatment for Type 2 diabetes and obesity. PMID:27479128

  19. Spectroscopic Studies of the Super Relaxed State of Skeletal Muscle.

    PubMed

    Nogara, Leonardo; Naber, Nariman; Pate, Edward; Canton, Marcella; Reggiani, Carlo; Cooke, Roger

    2016-01-01

    In the super-relaxed state of myosin, ATPase activity is strongly inhibited by binding of the myosin heads to the core of the thick filament in a structure known as the interacting-heads motif. In the disordered relaxed state myosin heads are not bound to the core of the thick filament and have an ATPase rate that is 10 fold greater. In the interacting-heads motif the two regulatory light chains appear to bind to each other. We have made single cysteine mutants of the regulatory light chain, placed both paramagnetic and fluorescent probes on them, and exchanged them into skinned skeletal muscle fibers. Many of the labeled light chains tended to disrupt the stability of the super-relaxed state, and showed spectral changes in the transition from the disordered relaxed state to the super-relaxed state. These data support the putative interface between the two regulatory light chains identified by cryo electron microscopy and show that both the divalent cation bound to the regulatory light chain and the N-terminus of the regulatory light chain play a role in the stability of the super-relaxed state. One probe showed a shift to shorter wavelengths in the super-relaxed state such that a ratio of intensities at 440nm to that at 520nm provided a measure of the population of the super-relaxed state amenable for high throughput screens for finding potential pharmaceuticals. The results provide a proof of concept that small molecules that bind to this region can destabilize the super-relaxed state and provide a method to search for small molecules that do so leading to a potentially effective treatment for Type 2 diabetes and obesity. PMID:27479128

  20. Relaxation dynamics of amorphous dibucaine using dielectric studies

    NASA Astrophysics Data System (ADS)

    Sahra, M.; Jumailath, K.; Thayyil, M. Shahin; Capaccioli, S.

    2015-06-01

    Using broadband dielectric spectroscopy the molecular mobility of dibucaine is investigated in the supercooled liquid and gassy states, over a wide temperature range for some test frequencies. Above the glass transition temperature Tg, the presence of structural α- relaxation peak was observed due to the cooperative motions of the molecule and upon cooling frozen kinetically to form the glass. The secondary relaxation process was perceivable below Tg due to localized motions. The peak loss frequency of α-relaxation process shows non-Arrhenius behavior and obeys Vogel-Fulcher-Tammann equation over the measured temperature range whereas the β- process shows Arrhenius behavior.

  1. THE EFFECTS OF PARAMAGNETIC RELAXATION REAGENTS ON 15N SPIN RELAXATION AND THE USE OF GD(DPM)3 AS A NITROGEN-15 NUCLEAR MAGNETIC RESONANCE SPIN LABEL

    EPA Science Inventory

    Electron-nuclear relaxation times (T(1) sup e's) for (15)N and (13)C in natural abundance are measured for a series of amines of a wide range of pK(a)s using four paramagnetic relaxation reagents that are soluable in organic solutions. Cr(acac)3 and Cr(dpm)3 are seen to affect th...

  2. Electron tunneling in lithium-ammonia solutions probed by frequency-dependent electron spin relaxation studies.

    PubMed

    Maeda, Kiminori; Lodge, Matthew T J; Harmer, Jeffrey; Freed, Jack H; Edwards, Peter P

    2012-06-01

    Electron transfer or quantum tunneling dynamics for excess or solvated electrons in dilute lithium-ammonia solutions have been studied by pulse electron paramagnetic resonance (EPR) spectroscopy at both X- (9.7 GHz) and W-band (94 GHz) frequencies. The electron spin-lattice (T(1)) and spin-spin (T(2)) relaxation data indicate an extremely fast transfer or quantum tunneling rate of the solvated electron in these solutions which serves to modulate the hyperfine (Fermi-contact) interaction with nitrogen nuclei in the solvation shells of ammonia molecules surrounding the localized, solvated electron. The donor and acceptor states of the solvated electron in these solutions are the initial and final electron solvation sites found before, and after, the transfer or tunneling process. To interpret and model our electron spin relaxation data from the two observation EPR frequencies requires a consideration of a multiexponential correlation function. The electron transfer or tunneling process that we monitor through the correlation time of the nitrogen Fermi-contact interaction has a time scale of (1-10) × 10(-12) s over a temperature range 230-290 K in our most dilute solution of lithium in ammonia. Two types of electron-solvent interaction mechanisms are proposed to account for our experimental findings. The dominant electron spin relaxation mechanism results from an electron tunneling process characterized by a variable donor-acceptor distance or range (consistent with such a rapidly fluctuating liquid structure) in which the solvent shell that ultimately accepts the transferring electron is formed from random, thermal fluctuations of the liquid structure in, and around, a natural hole or Bjerrum-like defect vacancy in the liquid. Following transfer and capture of the tunneling electron, further solvent-cage relaxation with a time scale of ∼10(-13) s results in a minor contribution to the electron spin relaxation times. This investigation illustrates the great

  3. Redoxable heteronanocrystals functioning magnetic relaxation switch for activatable T1 and T2 dual-mode magnetic resonance imaging.

    PubMed

    Kim, Myeong-Hoon; Son, Hye-Young; Kim, Ga-Yun; Park, Kwangyeol; Huh, Yong-Min; Haam, Seungjoo

    2016-09-01

    T1/T2 dual-mode magnetic resonance (MR) contrast agents (DMCAs) have gained much attention because of their ability to improve accuracy by providing two pieces of complementary information with one instrument. However, most of these agents are "always ON" systems that emit MR contrast regardless of their interaction with target cells or biomarkers, which may result in poor target-to-background ratios. Herein, we introduce a rationally designed magnetic relaxation switch (MGRS) for an activatable T1/T2 dual MR imaging system. Redox-responsive heteronanocrystals, consisting of a superparamagnetic Fe3O4 core and a paramagnetic Mn3O4 shell, are synthesized through seed-mediated growth and subsequently surface-modified with polysorbate 80. The Mn3O4 shell acts as both a protector of Fe3O4 in aqueous environments to attenuate T2 relaxation and as a redoxable switch that can be activated in intracellular reducing environments by glutathione. This simultaneously generates large amounts of magnetically decoupled Mn(2+) ions and allows Fe3O4 to interact with the water protons. This smart nanoplatform shows an appropriate hydrodynamic size for the EPR effect (10-100 nm) and demonstrates biocompatibility. Efficient transitions of OFF/ON dual contrast effects are observed by in vitro imaging and MR relaxivity measurements. The ability to use these materials as DMCAs is demonstrated via effective passive tumor targeting for T1- and T2-weighted MR imaging in tumor-bearing mice. PMID:27281684

  4. Low temperature dielectric relaxation study of aqueous solutions of diethylsulfoxide

    NASA Astrophysics Data System (ADS)

    Gabrielyan, Liana; Markarian, Shiraz; Lunkenheimer, Peter; Loidl, Alois

    2014-11-01

    In the present work, dielectric spectra of mixtures of diethylsulfoxide (DESO) and water are presented, covering a concentration range of 0.2-0.3 molar fraction of DESO. The measurements were performed at frequencies between 1Hz and 10MHz and for temperatures between 150 and 300K. It is shown that DESO/water mixtures have strong glass-forming abilities. The permittivity spectra in these mixtures reveal a single relaxation process. It can be described by the Havriliak-Negami relaxation function and its relaxation times follow the Vogel-Fulcher-Tammann law, thus showing the typical signatures of glassy dynamics. The concentration dependence of the relaxation parameters, like fragility, broadening, and glass temperature, are discussed in detail.

  5. β-detected nuclear quadrupole resonance and relaxation of 8Li+ in sapphire

    NASA Astrophysics Data System (ADS)

    Salman, Z.; Chow, K. H.; Hossain, M. D.; Kiefl, R. F.; Levy, C. D. P.; Parolin, T. J.; Pearson, M. R.; Saadaoui, H.; Wang, D.; MacFarlane, W. A.

    2014-12-01

    We report detailed behaviour of low energy 8Li implanted near the surface of α- Al2O3 single crystal, as revealed by beta-detected NQR of 8Li. We find that the implanted 8Li occupies at least two sites with non-cubic symmetry in the Al2O3 lattice. In both sites the 8Li experiences axially symmetric electric field gradient, with the main principal axis along the c-crystallographic direction. The temperature and field dependence of the spin lattice relaxation of 8Li in α-Al2O3, indicate that the 8Li diffusion is negligible on the scale of its lifetime, 1.21 s.

  6. Study of stomach motility using the relaxation of magnetic tracers.

    PubMed

    Carneiro, A A; Baffa, O; Oliveira, R B

    1999-07-01

    Magnetic tracers can be observed in the interior of the human body to give information about their quantity, position and state of order. With the aim of detecting and studying the degree of disorder of these tracers after they have been previously magnetized inside the stomach, a system composed of magnetization coils and magnetic detectors was developed. Helmholtz coils of diameter 84 cm were used to magnetize the sample and the remanent magnetization (RM) was detected with two first-order gradiometric fluxgate arrays each with a 15 cm base line, sensitivity of 0.5 nT and common mode rejection (CMR) of at least 10. The system allows simultaneous measurement in the anterior and posterior projections of the stomach. Measurements of the time evolution of the RM were performed in vitro and in normal subjects after the ingestion of a test meal labelled with magnetic particles. The data were fitted with an exponential curve and the relaxation time tau was obtained. Initial studies were performed to ascertain the action of a drug that is known to affect the gastric motility, showing that the decay of the remanent magnetization was indeed due to stomach contractions. PMID:10442706

  7. Nuclear magnetic resonance study of sphingomyelin bilayers

    SciTech Connect

    Bruzik, K.S.; Sobon, B.; Salamonczyk, G.M. )

    1990-04-24

    Bilayers of D-erythro-(N-stearoylsphingosyl)-1-phosphocholine (C{sub l8}-SPM), previously characterized by differential scanning calorimetry in various phases, were studied by means of wide-line {sup 31}P, {sup 2}H, high-resolution {sup 13}C CP-MAS, and {sup 1}H MAS NMR. The fully relaxed gel phase of C{sub 18}-SPM at temperatures below 306 K displayed {sup 31}P NMR spectra characteristic of the rigid phase with frozen rotation of the phosphocholine head group. Three other gel phases existing in the temperature range 306-318 K displayed spectra with incompletely averaged axially symmetric powder line shapes and were difficult to differentiate on the basis of their {sup 31}P NMR spectra. The gel-to-gel transition at 306 K was found to be fully reversible. The main phase transition at 318 K resulted in the formation of the liquid-crystalline phase for which spectra with axially symmetric line shapes of uniform width were obtained, regardless of the nature of the starting gel phase. {sup 13}C CP-MAS NMR spectra revealed significant differences in the molecular dynamics of sphingomyelin in various phases. All carbon atoms of the polar head group in the liquid-crystalline phase gave rise to a separate resonance lines. Numerous carbon atom signals were doubled in the stable phase, demonstrating the existence of two slowly interconverting conformers.

  8. SNAKE DEPLORIZING RESONANCE STUDY IN RHIC

    SciTech Connect

    BAI,M.; CAMERON, P.; LUCCIO, A.; HUANG, H.; PITISYN, V.; ET AL.

    2007-06-25

    Snake depolarizing resonances due to the imperfect cancellation of the accumulated perturbations on the spin precession between snakes were observed at the Relativistic Heavy Ion Collider (RHIC). During the RHIC 2005 and 2006 polarized proton runs, we mapped out the spectrum of odd order snake resonance at Q{sub y} = 7/10. Here, Q, is the beam vertical betatron tune. We also studied the beam polarization after crossing the 7/10th resonance as a function of resonance crossing rate. This paper reports the measured resonance spectrum as well as the results of resonance crossing.

  9. Quasi crystals: Studies of stability and phason relaxation

    SciTech Connect

    Gronlund, L.D.

    1989-01-01

    This dissertation is in two distinct parts. In chapter I the author considers a simple model of solidification based on Landau theory and investigates whether this model can have stable or metastable quasicrystalline solutions. The model is that proposed by Kalugin, Kitaev, and Levitov with an additional local quartic term in the free energy. In this case, the body-centered cubic (bcc) crystal is the global minimum. He assesses the stability of the quasicrystalline solutions and shows that they are not even metastable, being unstable against a collapse to the bcc crystal. In chapter II he proposes a simple model for phason dynamics in quasicrystals. Phason shifts in the Penrose tiling model of quasicrystals appear as flips of rows of tiles, known as worms. When worms cross one another a hierarchy is established in which some of the worms cannot flip until others have. A complex set of constraints on worm flips is thereby introduced by the intricate pattern of worm crossings in quasicrystalline tilings. He introduces a simple model of interacting sets of one-dimensional Ising chains that mimics this set of constraints and study the possible consequences of these constraints for phason dynamics and the relaxation of phason strain in quasicrystals.

  10. Synchronisation of self-oscillations in a solid-state ring laser with pump modulation in the region of parametric resonance between self-modulation and relaxation oscillations

    SciTech Connect

    Dudetskiy, V Yu; Lariontsev, E G; Chekina, S N

    2014-01-31

    The synchronisation of the self-modulation oscillation frequency in a Nd : YAG ring laser by an external periodic signal modulating the pump power in the region of parametric resonance between self-modulation and relaxation oscillations is studied theoretically and experimentally. The characteristic features of synchronisation processes in lasers operating in the self-modulation regime of the first kind and in the regime with a doubled self-modulation period are considered. Two bistable branches of synchronisation of self-modulation oscillations are found by numerical calculation. The experimental data agree well with the numerical simulation results for one of these branches, but the other branch of bistable self-modulation oscillations was not observed experimentally. (control of laser radiation parameters)

  11. Iontophoretic study of speed of action of various muscle relaxants.

    PubMed

    Min, J C; Bekavac, I; Glavinovic, M I; Donati, F; Bevan, D R

    1992-08-01

    The speed of action of nondepolarizing muscle relaxants is inversely related to potency. The hypothesis that this effect occurs at the end plate was tested in a frog (Rana pipiens) cutaneous pectoris muscle preparation. Brief acetylcholine pulses (10-100 ms) were applied iontophoretically from a central barrel of a triple-barrelled microelectrode located near an end plate. Long pulses (10-200 s) of muscle relaxant (gallamine, rocuronium, d-tubocurarine, atracurium, vecuronium, pancuronium, and doxacurium) were applied from one of two other barrels. The responses were a voltage change at the end plate, measured with an intracellular electrode. To evaluate potency, intracellular voltage changes following iontophoretic acetylcholine pulses were measured after application of various concentrations of muscle relaxants. The following were the equilibrium dissociation constants, which represent concentration of relaxant for 50% inhibition of response (mean plus or minus standard deviation): gallamine, 4.56 +/- 0.44 microM (n = 5); rocuronium, 0.71 +/- 0.09 microM (n = 6); d-tubocurarine, 0.59 +/- 0.07 microM (n = 4); atracurium, 0.31 +/- 0.03 microM (n = 4); vecuronium, 0.23 +/- 0.02 microM (n = 5); pancuronium, 0.18 +/- 0.03 microM (n = 3); doxacurium, 0.11 +/- 0.03 microM (n = 5). Both onset and offset of effect of muscle relaxant proceeded with an exponential time course.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:1353667

  12. Relaxation of Actinide Surfaces: An All Electron Study

    NASA Astrophysics Data System (ADS)

    Atta-Fynn, Raymond; Dholabhai, Pratik; Ray, Asok

    2006-10-01

    Fully relativistic full potential density functional calculations with a linearized augmented plane wave plus local orbitals basis (LAPW + lo) have been performed to investigate the relaxations of heavy actinide surfaces, namely the (111) surface of fcc δ-Pu and the (0001) surface of dhcp Am using WIEN2k. This code uses the LAPW + lo method with the unit cell divided into non-overlapping atom-centered spheres and an interstitial region. The APW+lo basis is used to describe all s, p, d, and f states and LAPW basis to describe all higher angular momentum states. Each surface was modeled by a three-layer periodic slab separated by 60 Bohr vacuum with four atoms per surface unit cell. In general, we have found a contraction of the interlayer separations for both Pu and Am. We will report, in detail, the electronic and geometric structures of the relaxed surfaces and comparisons with the respective non-relaxed surfaces.

  13. Proton Resonance and Critical Relaxation in NH4MnF3 and NH4ZnF3

    NASA Astrophysics Data System (ADS)

    Raaen, A. M.; Svare, I.; Fibich, M.

    1982-06-01

    Proton NMR line widths and relaxation have been studied in powders of almost simple cubic NH4ZnF3 and NH4MnF3. The activation energy for NH4+ reorientation is Ea/kB = 650K above Tc = 115 K in NH4ZnF3 and Ea/kB = 795 K below Tc, and probably about the same in NH4MnF3. The averaging of local fields because of rapid reorientation narrows the line and permits observation of critical relaxation near the antiferromagnetic TN = 75.8 K in NH4MnF3. If T1 propto (T - TN)ρ we find ρ in the range 0.1 to 0.3, compared to the expected ρ approx 0.33 for cubic Heisenberg antiferromagnets.

  14. Superparamagnetic behaviour and T 1, T 2 relaxivity of ZnFe2O4 nanoparticles for magnetic resonance imaging

    NASA Astrophysics Data System (ADS)

    Manjura Hoque, S.; Srivastava, C.; Venkatesha, N.; Kumar, P. S. Anil; Chattopadhyay, K.

    2013-05-01

    In the present study, ZnFe2O4 nanoparticles were synthesized by the chemical co-precipitation followed by calcinations at 473 and 673 K for 4 h. Particle sizes obtained were 4 and 6 nm for the calcination temperatures of 473 and 673 K, respectively. To study the origin of system's low temperature spin dynamic behaviour, temperature dependence of susceptibility ? was investigated as a function of particle size and frequency. Slight increase in the grain size from 4 nm at 473 K to 6 nm at 673 K has led to a peak shift of temperature dependence of susceptibility measured at a constant frequency of 400 Hz. Temperature dependence of ? at different frequencies also resulted in peak shift. Relaxation time dependence of peak temperature obeys a power law, which provides the fitting parameters within the range of superparamagnetic nature of the particles. Further, dependence of relaxation time and peak temperature obeys Vogel-Fulcher law rather than Néel-Brown equation demonstrating that the particles follow the behaviour of superparamagnetism of slightly interacting system. Spin-lattice, T 1 and spin-spin, T 2 relaxivity of proton of the water molecule in the presence of chitosan-coated superparamagnetic ZnFe2O4 nanoparticle yields the values of 0.002 and 0.360 s-1 per ppm.

  15. One-Shot Measurement of Spin-Lattice Relaxation Times in the Off-Resonance Rotating Frame of Reference with Applications to Breast

    NASA Astrophysics Data System (ADS)

    Fairbanks, Ethan Jefferson

    1994-01-01

    Off-resonance spin locking makes use of the novel relaxation time T_{1rho} ^{rm off}, which may be useful in characterizing breast disease. Knowledge of T _{rm 1rho}^{rm off} is essential for optimization of spin -locking imaging methods. The purpose of this work was to develop an optimal imaging technique for in vivo measurement of T_{rm 1rho}^ {rm off}. Measurement of T _{1rho}^{rm off } using conventional methods requires long exam times which are not suitable for patients. Exam time may be shortened by utilizing a one-shot method developed by Look and Locker, making in vivo measurements possible. The imaging method consisted of a 180^circ inversion pulse followed by a series of small-angle alpha pulses to tip a portion of the longitudinal magnetization into the transverse plane for readout. During each relaxation interval (between alpha pulses), a spin-locking pulse was applied off-resonance to achieve T_ {1rho}^{rm off} relaxation. The value of T_{rm 1rho}^{rm off} was then determined using a three-parameter non-linear least-squares fitting procedure. Values of T_ {1rho}^{rm off} were measured for normal and pathologic breast tissues at several resonant offsets. These measurements revealed that image contrast can be manipulated by altering the resonant offset of the spin-locking pulse. Whereas T _1 relaxation times were nearly identical for normal and cancerous tissues, T_{1 rho}^{rm off} relaxation times differed significantly. These results may be useful in improving image contrast in magnetic resonance imaging.

  16. Critical fluctuations in DOPC/DPPC-d62/cholesterol mixtures: 2H magnetic resonance and relaxation.

    PubMed

    Davis, James H; Ziani, Latifa; Schmidt, Miranda L

    2013-07-28

    Static and magic angle spinning (MAS) (2)H nuclear magnetic resonance experiments have been performed on a series of multilamellar dispersions of di-oleoyl-sn-glycero-3-phosphocholine/di-palmitoyl-sn-glycero-3-phosphocholine-d62/cholesterol in water to investigate the compositional fluctuations which occur in the region of the line of critical points for this ternary system. The strong dependence of the MAS line widths on temperature, sample composition, and spinning rate provides a direct measure of the magnitude of the fluctuations in the (2)H quadrupolar Hamiltonian. These data are analyzed in terms of models for critical fluctuations in composition leading to a value for the critical index for the correlation length, ν(c) = 0.628, consistent with a three dimensional Ising model. PMID:23902029

  17. Resonant charge relaxation as a likely source of the enhanced thermopower in FeSi

    NASA Astrophysics Data System (ADS)

    Sun, Peijie; Wei, Beipei; Menzel, Dirk; Steglich, Frank

    2014-12-01

    The enhanced thermopower of the correlated semiconductor FeSi is found to be robust against the sign of the relevant charge carriers. At T ≈70 K, the position of both the high-temperature shoulder of the thermopower peak and the nonmagnetic-enhanced paramagnetic crossover, the Nernst coefficient ν assumes a large maximum and the Hall mobility μH diminishes to below 1 cm2/V s. These cause the dimensionless ratio ν /μH —a measure of the energy dispersion of the charge scattering time τ (ɛ ) —to exceed that of classical metals and semiconductors by two orders of magnitude. Concomitantly, the resistivity exhibits a hump and the magnetoresistance changes its sign. Our observations hint at a resonant scattering of the charge carriers at the magnetic crossover, imposing strong constraints on the microscopic interpretation of the robust thermopower enhancement in FeSi.

  18. NMR Relaxation in Systems with Magnetic Nanoparticles: A Temperature Study

    PubMed Central

    Issa, Bashar; Obaidat, Ihab M.; Hejasee, Rola H.; Qadri, Shahnaz; Haik, Yousef

    2013-01-01

    Purpose To measure and model NMR relaxation enhancement due to the presence of Gd substituted Zn-Mn ferrite magnetic nanoparticles at different temperatures. Materials and Methods Relaxation rates were measured at 1.5 T using FSE sequences in samples of agarose gel doped with uncoated and polyethylene glycol (PEG) coated Mn0.5Zn0.5Gd0.02Fe1.98O4 nanoparticles over the temperature range 8 to 58°C. Physical characterization of the magnetic nanoparticles synthesized using chemical co-precipitation included scanning (SEM) and transmission (TEM) electron microscopy, inductively coupled plasma (ICP), dynamic light scattering (DLS), and magnetometry. Results Relaxivity (in s−1 mM−1 Fe) for the uncoated and coated particles, respectively, increased as follows: from 2.5 to 3.2 and 0.4 to 0.7 for T1, while for T2 it increased from 162.3 to 253.7 and 59.7 to 82.2 over the temperature range 8 to 58°C. T2 data was fitted to the echo limited motional regime using one fitting parameter that reflects the degree of agglomeration of particles into a cluster. This parameter was found to increase linearly with temperature and was larger for the PEG coated particles than the uncoated ones. Conclusion The increase of 1/T2 with temperature is modeled successfully using echo limited motional regime where both diffusion of the protons and nanoparticle cluster size increase with temperature. Both transverse and longitudinal relaxation efficiencies are reduced by PEG coating at all temperatures. If prediction of relaxation rates under different particle concentrations and operating temperatures is possible then the use of MNP in temperature monitoring and hyperthermia applications may be achieved. PMID:23720101

  19. Prognostic Significance of Transverse Relaxation Rate (R2*) in Blood Oxygenation Level-Dependent Magnetic Resonance Imaging in Patients with Invasive Breast Cancer

    PubMed Central

    Choi, Hye Young; Ko, Eun Sook; Han, Boo-Kyung; Kim, Eun Ju; Kim, Sun Mi; Lim, Yaeji; Kim, Rock Bum

    2016-01-01

    Objective To examine the relationship between magnetic resonance transverse relaxation rate (R2*) and prognostic factors. Materials and Methods A total of 159 women with invasive ductal carcinomas (IDCs) underwent breast magnetic resonance imaging (MRI) including blood oxygenation level-dependent (BOLD) sequence at 3 T. The distribution of the measured R2* values were analyzed, and the correlation between R2* and various prognostic factors (age, tumor size, histologic grade, lymphovascular invasion, and axillary lymph node status, as well as expression of estrogen receptor, progesterone receptor, human epidermal growth factor receptor 2, p53, and Ki-67) were retrospectively assessed using patient medical records. Results The baseline R2* values of the IDCs were very heterogeneous with wide range among the patients. The mean R2* value was (32.8 ± 14.0) Hz with a median of 29.3 Hz (range 13.5–109.4 Hz). In multivariate analysis, older age was associated with decreased R2* value (P = 0.011) and IDCs with p53-overexpression showed higher R2* values than those without p53-overexpression group (P = 0.031). Other prognostic factors were not significantly correlated with R2* value. Conclusion In this study, R2* values were significantly correlated with age and expression of p53. Further studies are necessary to determine the prognostic value of BOLD-MRI. PMID:27384310

  20. Spin dynamics and relaxation in graphene nanoribbons: electron spin resonance probing.

    PubMed

    Rao, Singamaneni S; Stesmans, Andre; van Tol, Johan; Kosynkin, Dmitry V; Higginbotham-Duque, A; Lu, Wei; Sinitskii, Alexander; Tour, James M

    2012-09-25

    Here we report the results of a multifrequency (~9, 20, 34, 239.2, and 336 GHz) variable-temperature continuous wave (cw) and X-band (~9 GHz) pulse electron spin resonance (ESR) measurement performed at cryogenic temperatures on potassium split graphene nanoribbons (GNRs). Important experimental findings include the following: (a) The multifrequency cw ESR data infer the presence of only carbon-related paramagnetic nonbonding states, at any measured temperature, with the g value independent of microwave frequency and temperature. (b) A linear broadening of the ESR signal as a function of microwave frequency is noticed. The observed linear frequency dependence of ESR signal width points to a distribution of g factors causing the non-Lorentzian line shape, and the g broadening contribution is found to be very small. (c) The ESR process is found to be characterized by slow and fast components, whose temperature dependences could be well described by a tunneling level state model. This work not only could help in advancing the present fundamental understanding on the edge spin (or magnetic)-based properties of GNRs but also pave the way to GNR-based spin devices. PMID:22901098

  1. Secondary and primary relaxations in hyperbranched polyglycerol: A comparative study in the frequency and time domains

    NASA Astrophysics Data System (ADS)

    Garcia-Bernabé, Abel; Dominguez-Espinosa, Gustavo; Diaz-Calleja, Ricardo; Riande, Evaristo; Haag, Rainer

    2007-09-01

    The non-Debye relaxation behavior of hyperbranched polyglycerol was investigated by broadband dielectric spectroscopy. A thorough study of the relaxations was carried out paying special attention to truncation effects on deconvolutions of overlapping processes. Hyperbranched polyglycerol exhibits two relaxations in the glassy state named in increasing order of frequency β and γ processes. The study of the evolution of these two fast processes with temperature in the time retardation spectra shows that the β absorption is swallowed by the α in the glass-liquid transition, the γ absorption being the only relaxation that remains operative in the liquid state. In heating, a temperature is reached at which the α absorption vanishes appearing the αγ relaxation. Two characteristics of α absorptions, decrease of the dielectric strength with increasing temperature and rather high activation energy, are displayed by the αγ process. Williams' ansatz seems to hold for these topologically complex macromolecules.

  2. Secondary and primary relaxations in hyperbranched polyglycerol: a comparative study in the frequency and time domains.

    PubMed

    Garcia-Bernabé, Abel; Dominguez-Espinosa, Gustavo; Diaz-Calleja, Ricardo; Riande, Evaristo; Haag, Rainer

    2007-09-28

    The non-Debye relaxation behavior of hyperbranched polyglycerol was investigated by broadband dielectric spectroscopy. A thorough study of the relaxations was carried out paying special attention to truncation effects on deconvolutions of overlapping processes. Hyperbranched polyglycerol exhibits two relaxations in the glassy state named in increasing order of frequency beta and gamma processes. The study of the evolution of these two fast processes with temperature in the time retardation spectra shows that the beta absorption is swallowed by the alpha in the glass-liquid transition, the gamma absorption being the only relaxation that remains operative in the liquid state. In heating, a temperature is reached at which the alpha absorption vanishes appearing the alphagamma relaxation. Two characteristics of alpha absorptions, decrease of the dielectric strength with increasing temperature and rather high activation energy, are displayed by the alphagamma process. Williams' ansatz seems to hold for these topologically complex macromolecules. PMID:17902934

  3. Ferromagnetic Resonance Studies of Magnetic Recording Media

    NASA Astrophysics Data System (ADS)

    Yu, Yuwu

    1995-01-01

    Angular dependence of maximum remanence (ADMR) and/or x-ray diffraction (XRD) techniques have been used to determine particle orientation distributions for various recording media, including gamma -rm Fe_2O_3, Co- gamma-rm Fe_2O_3, CrO_2, Ba-ferrite, and MP tapes. A distribution of column directions for metal evaporated (ME) tape has been determined from transmission electron microscopy (TEM) pictures. However, the ferromagnetic resonance (FMR) results suggest a much more narrow distribution of magnetic anisotropy directions. For Ba-ferrite tapes, the distribution functions measured by ADMR are consistent with those by XRD if interparticle interactions are accounted for. The predetermined distribution function has been used to fit FMR spectra for the above tapes. Landau-Lifshitz damping constants have been measured with high accuracy for particulate recording media. An excellent correlation has been found between the damping constants and the switching constants for these media. The results suggest that the FMR technique may be useful in predicting the switching speed of particulate recording media. The FMR technique is also useful in looking for methods of increasing the damping constant of recording media. Possible methods of increasing the switching speed of Ba-ferrite media have been studied. The reduction of Ba-ferrite particles in a hydrogen atmosphere increases the damping constant significantly. It is predicted that reduced Ba-ferrite probably switches faster than ordinary Ba-ferrite. Qualitative discussions on the origin of damping for various recording media have been presented within the framework of magnon relaxation theory. The dependence of the damping constant on magnetic properties, such as particle orientation, media coercivity, and particle interactions are also discussed.

  4. Relaxation processes and glass transition in confined 1,4-polybutadiene films: A Molecular Dynamics study

    NASA Astrophysics Data System (ADS)

    Paul, Wolfgang; Solar, Mathieu

    We will present results from Molecular Dynamics simulations of a chemically realistic model of 1,4-polybutadiene (PB) chains confined by graphite walls. Relaxation processes in this system are heterogeneous and anisotropic. We will present evidence for a slow additional relaxation process related to chain desorption from the walls. We also study the structural relaxation resolved with respect to the distance from the graphite walls and show the influence of structural changes on the relaxation behavior. The temperature dependence of the dielectric relaxation in layers of different thickness near the walls shows no indication of a shift of Tg as a function of thickness when analyzed with a Vogel-Fulcher fit. We explain this by the importance of intramolecular dihedral barriers for the glass transition in PB which dominate over the density changes next to a wall except for a 1 nm thick layer directly at the wall.

  5. Ionic Conductivity And Structural Relaxation Studies on Lithium Niobophosphate Glass

    SciTech Connect

    Dabas, Prashant; Hariharan, K.

    2011-07-15

    Niobium pentoxide (Nb{sub 2}O{sub 5}) increases the chemical and thermal stability of otherwise hygroscopic alkali phosphate glasses and also enhances the conduction characteristics. Ion dynamics and structural relaxation have been investigated for mol%50Li{sub 2}0-45P{sub 2}0{sub 5}-5Nb{sub 2}O{sub 5}. The non-linearity parameter 'x' in the Tool-Narayanaswamy model is evaluated using the dependence of fictive and glass transition temperatures on the cooling and heating rates.

  6. Discrete dislocation dynamics study of strained-layer relaxation.

    PubMed

    Schwarz, K W

    2003-10-01

    Numerical simulations are performed to follow the evolution of an initial density of dislocation loops in an infinite strained layer to the point where the dislocations have stopped moving. Several unexpected results are obtained. First, many of the threading arms are either annihilated or prematurely immobilized by hardening interactions such as jogging and junction formation. Second, the remaining dislocation arms are eventually trapped by stress fluctuations that arise more from local overrelaxation than from the blocking mechanisms usually considered. Third, the degree of relaxation that can be attained depends strongly on the initial density of threading arms. PMID:14611535

  7. Proton nuclear magnetic resonance studies on brain edema

    SciTech Connect

    Naruse, S.; Horikawa, Y.; Tanaka, C.; Hirakawa, K.; Nishikawa, H.; Yoshizaki, K.

    1982-06-01

    The water in normal and edematous brain tissues of rats was studied by the pulse nuclear magnetic resonance (NMR) technique, measuring the longitudinal relaxation time (T1) and the transverse relaxation time (T2). In the normal brain, T1 and T2 were single components, both shorter than in pure water. Prolongation and separation of T2 into two components, one fast and one slow, were the characteristic findings in brain edema induced by both cold injury and triethyl tin (TET), although some differences between the two types of edema existed in the content of the lesion and in the degree of changes in T1 and T2 values. Quantitative analysis of T1 and T2 values in their time course relating to water content demonstrated that prolongation of T1 referred to the volume of increased water in tissues examined, and that two phases of T2 reflected the distribution and the content of the edema fluid. From the analysis of the slow component of T2 versus water content during edema formation, it was demonstrated that the increase in edema fluid was steady, and its content was constant during formation of TET-induced edema. On the contrary, during the formation of cold-injury edema, water-rich edema fluid increased during the initial few hours, and protein-rich edema fluid increased thereafter. It was concluded that proton NMR relaxation time measurements may provide new understanding in the field of brain edema research.

  8. Hair relaxers not associated with breast cancer risk: evidence from the black women's health study.

    PubMed

    Rosenberg, Lynn; Boggs, Deborah A; Adams-Campbell, Lucile L; Palmer, Julie R

    2007-05-01

    Hair relaxers (straighteners) have been used by millions of African American women, often for many years. Relaxer ingredients can enter the body through scalp lesions and burns. Because manufacturers are not required to list all ingredients, these products may contain unknown harmful substances. We assessed hair relaxer use in relation to breast cancer incidence in the Black Women's Health Study, a nationwide follow-up study of African American women. Information on hair relaxer use was collected in 1997; 48,167 women were followed subsequently through 2003 for incident breast cancer. Incidence rate ratios of breast cancer were estimated with Cox regression. During 266,298 person-years of follow-up, 574 incident cases of breast cancer were ascertained. There were no increases in breast cancer risk associated with any categories of duration of hair relaxer use, frequency of use, age at first use, number of burns experienced during use, or type of relaxer used. The incidence rate ratio for use at least seven times a year for 20 or more years relative to use for less than a year was 0.98 (95% confidence interval, 0.78-1.39). These results suggest that hair relaxer use does not increase the incidence of breast cancer in African American women. PMID:17507635

  9. Application of the double relaxation oscillation superconducting quantum interference device sensor to micro-tesla 1H nuclear magnetic resonance experiments

    NASA Astrophysics Data System (ADS)

    Kang, Chan Seok; Kim, Kiwoong; Lee, Seong-Joo; Hwang, Seong-min; Kim, Jin-Mok; Yu, Kwon Kyu; Kwon, Hyukchan; Lee, Sang Kil; Lee, Yong-Ho

    2011-09-01

    We developed an ultra-low field (ULF)-nuclear magnetic resonance (NMR) measurement system capable of working with a measurement field (Bm) of several micro-tesla and performed basic NMR studies with a double relaxation oscillation superconducting quantum interference device (DROS) instead of conventional dc-SQUIDs. DROS is a SQUID sensor utilizing a relaxation oscillation between a dc-SQUID and a relaxation circuit; the new unit consists of an inductor and a resistor, and is connected in parallel with the SQUID. DROS has a 10 times larger flux-to-voltage transfer coefficient (˜mV/ϕ0) than that of the dc-SQUID, and this large transfer coefficient enables the acquisition of the SQUID signal with a simple flux-locked-loop (FLL) circuit using room temperature pre-amplifiers. The DROS second-order gradiometer showed average field noise of 9.2 μϕ0/√Hz in a magnetically shielded room (MSR). In addition, a current limiter formed of a Josephson junction array was put in a flux-transformer of DROS to prevent excessive currents that can be generated from the high pre-polarization field (Bp). Using this system, we measured an 1H NMR signal in water under 2.8 μT Bm field and reconstructed a one-dimensional MR image from the 1H NMR signal under a gradient field BG of 4.09 nT/mm. In addition, we confirmed that the ULF-NMR system can measure the NMR signal in the presence of metal without any distortion by measuring the NMR signal of a sample wrapped with metal. Lastly, we have measured the scalar J-coupling of trimethylphosphate and were able to confirm a clear doublet NMR signal with the coupling strength J3[P,H] = 10.4 ± 0.8 Hz. Finally, because the existing ULF-NMR/MRI studies were almost all performed with dc-SQUID based systems, we constructed a dc-SQUID-based ULF-NMR system in addition to the DROS based system and compared the characteristics of the two different systems by operating the two systems under identical experimental conditions.

  10. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1992-05-27

    This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with {sup 13}C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed a delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

  11. Alpha resonant scattering for astrophysical reaction studies

    SciTech Connect

    Yamaguchi, H.; Kahl, D.; Nakao, T.; Wakabayashi, Y.; Kubano, S.; Hashimoto, T.; Hayakawa, S.; Kawabata, T.; Iwasa, N.; Teranishi, T.; Kwon, Y. K.; Binh, D. N.; Khiem, L. H.; Duy, N. G.

    2014-05-02

    Several alpha-induced astrophysical reactions have been studied at CRIB (CNS Radioactive Ion Beam separator), which is a low-energy RI beam separator at Center for Nuclear Study (CNS) of the University of Tokyo. One of the methods to study them is the α resonant scattering using the thick-target method in inverse kinematics. Among the recent studies at CRIB, the measurement of {sup 7}Be+α resonant scattering is discussed. Based on the result of the experiment, we evaluated the contributions of high-lying resonances for the {sup 7}Be(α,γ) reaction, and proposed a new cluster band in {sup 11}C.

  12. Alpha resonant scattering for astrophysical reaction studies

    NASA Astrophysics Data System (ADS)

    Yamaguchi, H.; Kahl, D.; Nakao, T.; Wakabayashi, Y.; Kubano, S.; Hashimoto, T.; Hayakawa, S.; Kawabata, T.; Iwasa, N.; Teranishi, T.; Kwon, Y. K.; Binh, D. N.; Khiem, L. H.; Duy, N. G.

    2014-05-01

    Several alpha-induced astrophysical reactions have been studied at CRIB (CNS Radioactive Ion Beam separator), which is a low-energy RI beam separator at Center for Nuclear Study (CNS) of the University of Tokyo. One of the methods to study them is the α resonant scattering using the thick-target method in inverse kinematics. Among the recent studies at CRIB, the measurement of 7Be+α resonant scattering is discussed. Based on the result of the experiment, we evaluated the contributions of high-lying resonances for the 7Be(α,γ) reaction, and proposed a new cluster band in 11C.

  13. The complexity of protein energy landscapes studied by solution NMR relaxation dispersion experiments

    PubMed Central

    Khirich, Gennady; Loria, J. Patrick

    2016-01-01

    The millisecond timescale motions in ribonuclease A (RNase A) were studied by solution NMR CPMG and off-resonance R1ρ relaxation dispersion experiments over a wide pH and temperature range. These experiments identify three separate protein regions termed Cluster 1, Cluster 2, and R33 whose motions are governed by distinct thermodynamic parameters. Moreover each of these regions has motions with different pH dependencies. Cluster 1 shows an increase in activation enthalpy and activation entropy as the pH is lowered, whereas Cluster two exhibits the opposite behavior. In contrast the activation enthalpy and entropy of R33 show no pH dependence. Compounding the differences, Δω values for Cluster 2 are characteristic of two-site conformational exchange yet similar analysis for Cluster 1 indicates that this region of the enzyme exhibits conformational fluctuations between a major conformer and a pH-dependent average of protonated and de-protonated minor conformers. PMID:25680027

  14. Time-resolved positron annihilation spectroscopy study of relaxation dynamics of ion damage in fused quartz

    NASA Astrophysics Data System (ADS)

    Tsuchida, Hidetsugu; Mizuno, Shohei; Tsutsumi, Hironori; Kinomura, Atsushi; Suzuki, Ryoichi; Itoh, Akio

    2016-05-01

    Relaxation dynamics of ion damage in fused quartz is investigated by our newly developed pump–probe technique combining energetic ions (pump) with slow positrons (probe). This method enables determination of time-resolved positron lifetime. We study the time-dependent relaxation of ion damage, by analyzing the intensity variation in the ortho-positronium lifetime component associated with irradiation damage. For irradiation with 160 keV He ions in the temperature range of 300–573 K, the positron annihilation lifetime spectra are obtained as a function of time after ion irradiation. We observe that the relaxation time of ion damage is strongly influenced by specimen temperatures; the relaxation time constant is approximately 400 ms at room temperature (300 K) and becomes smaller with an increasing temperature. Analysis for the effect of temperature on damage accumulation reveals that the activation energy for thermal annealing of the observed damage is approximately 0.1 eV.

  15. Molecular motions and phase transitions. NMR relaxation times studies of several lecithins.

    PubMed Central

    Bar-Adon, R; Gilboa, H

    1981-01-01

    The spin-lattice relaxation time, T1, and the dipolar energy relaxation time, TD, were measured as a function of temperature. The materials studied were samples of anhydrous L-dipalmitoyl lecithin, DL-dipalmitoyl lecithin, L-dimyristoyl lecithin, DL-dimyristoyl lecithin and their monohydrates, and of anhydrous egg yolk lecithin. It is shown that TD is a much more sensitive parameter than T1 for the determination of the Chapman phase transition. Comparison between T1 and TD provides information about new types of slow molecular motions below and above the phase transition temperature. It is suggested that the relaxation mechanisms for T1 and TD in the gel phase are governed by segmental motion in the phospholipid molecule. A new metastable phase was detected in dimyristoyl lecithin monohydrates. This phase could only be detected from the dipolar energy relaxation times. PMID:7225514

  16. Strain relaxation in He implanted UO2 polycrystals under thermal treatment: An in situ XRD study

    NASA Astrophysics Data System (ADS)

    Palancher, H.; Kachnaoui, R.; Martin, G.; Richard, A.; Richaud, J.-C.; Onofri, C.; Belin, R.; Boulle, A.; Rouquette, H.; Sabathier, C.; Carlot, G.; Desgardin, P.; Sauvage, T.; Rieutord, F.; Raynal, J.; Goudeau, Ph.; Ambard, A.

    2016-08-01

    Within the frame of the long-term evolution of spent nuclear fuel in dry disposal, the behavior of He in UO2 polycrystals has to be studied. Here, strain relaxation in He implanted samples has been characterized using in situ X-ray diffraction during thermal annealing. The influence of a wide range of experimental parameters (annealing atmosphere, He ion energy, orientation of the UO2 grains probed by X-rays) has been evaluated. If each of them contributes to the strain relaxation kinetics in the implanted layer, strain relaxation is not completed for temperatures below 900 °C which is equivalent to what has been found on He implanted UO2 single crystals, or aged UO2 pellets doped with α-emitters. In the case of implantation with 500 keV He ions, we clearly show that strain relaxation and He release are not correlated for temperatures below 750 °C.

  17. A theoretical study of the stress relaxation in HMX on the picosecond time scale

    NASA Astrophysics Data System (ADS)

    Long, Yao; Chen, Jun

    2015-12-01

    The stress relaxation model of β-HMX on the picosecond time scale is studied by a theoretical approach. The relaxation of normal stress is contributed by lattice vibration, and the relaxation of shear stress is contributed by molecular rotation. Based on this model, the energy dissipation rule of the elastic wave and the profile of the shock wave are investigated. We find at low frequency the dissipation rate of the elastic wave is proportional to the power function of frequency, and under high speed shock loading the width of the stress relaxation zone is less than 0.3 μm there is a pressure peak with a height of 14 GPa near the wave front.

  18. Studies of Amyloidogenic Peptide Dynamics by Dielectric Relaxation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Prifti, Fioleda; Barry, Donald; Stroe, Izabela

    2010-03-01

    Recent theoretical studiesfootnotetextF. Despa et al., J. Biol. Phys. (2008) 34, 577 show that amyloidogenic peptides associate to form oligomers through long-range hydrophobic attractions. When peptides aggregate in larger composites, their hydrophobic patches are buried inside the newly formed amyloidogenic assembly. This gradually changes their interactions with the surrounding water molecules. The various amyloidogenic structures can then be differentiated based on the partition of the interface water and the dielectric signal of water. Here, we present dielectric relaxation spectroscopy measurements of amyloidogenic (human IAPP and Aβ (1-42)) and non-amyloidogenic (rat IAPP and Aβ (1-42) scrambled) peptides over a frequency range of 10-3 to 10^7 Hz, at different concentrations (5-100 μM), and over a large incubation time interval (0-220 h). In comparing the dielectric response of the amyloidogenic and non-amyloidogenic peptides, we find that it varies from peptide to peptide. Our experimental results also reveal a shift in the dielectric response as a function of time and concentration for each peptide. We attribute these variations in the dielectric signal to structural changes that affect the surrounding and cage water associated with the amyloid aggregates. Our results are in agreement with theoretical predictions.

  19. Nuclear Quadrupole Resonance Studies of the Sorc Sequence and Nuclear Magnetic Resonance Studies of Polymers.

    NASA Astrophysics Data System (ADS)

    Jayakody, Jayakody R. Pemadasa

    1993-01-01

    The behavior of induction signals during steady -state pulse irradiation in ^{14} N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, Cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work Nitrocellulose isotopically highly enriched with ^{15}N was studied at four different temperatures between 27^ circ and 120^circ Celsius and the correlation times for polymer backbone motions were obtained. Nafion films containing, water (D_2 O and H_2^{17}O) and methanol (CH_3OD, CH _3^{17}OH), have been studied using Deuteron and Oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the ^2H NMR lineshapes. Activation energies extracted from ^2H spin-lattice relaxation data on the high temperature side of the T_1 minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotropy of the host polymer. Activation volumes corresponding to a specific dynamical

  20. Spectral density mapping at multiple magnetic fields suitable for (13)C NMR relaxation studies.

    PubMed

    Kadeřávek, Pavel; Zapletal, Vojtěch; Fiala, Radovan; Srb, Pavel; Padrta, Petr; Přecechtělová, Jana Pavlíková; Šoltésová, Mária; Kowalewski, Jozef; Widmalm, Göran; Chmelík, Josef; Sklenář, Vladimír; Žídek, Lukáš

    2016-05-01

    Standard spectral density mapping protocols, well suited for the analysis of (15)N relaxation rates, introduce significant systematic errors when applied to (13)C relaxation data, especially if the dynamics is dominated by motions with short correlation times (small molecules, dynamic residues of macromolecules). A possibility to improve the accuracy by employing cross-correlated relaxation rates and on measurements taken at several magnetic fields has been examined. A suite of protocols for analyzing such data has been developed and their performance tested. Applicability of the proposed protocols is documented in two case studies, spectral density mapping of a uniformly labeled RNA hairpin and of a selectively labeled disaccharide exhibiting highly anisotropic tumbling. Combination of auto- and cross-correlated relaxation data acquired at three magnetic fields was applied in the former case in order to separate effects of fast motions and conformational or chemical exchange. An approach using auto-correlated relaxation rates acquired at five magnetic fields, applicable to anisotropically moving molecules, was used in the latter case. The results were compared with a more advanced analysis of data obtained by interpolation of auto-correlated relaxation rates measured at seven magnetic fields, and with the spectral density mapping of cross-correlated relaxation rates. The results showed that sufficiently accurate values of auto- and cross-correlated spectral density functions at zero and (13)C frequencies can be obtained from data acquired at three magnetic fields for uniformly (13)C-labeled molecules with a moderate anisotropy of the rotational diffusion tensor. Analysis of auto-correlated relaxation rates at five magnetic fields represents an alternative for molecules undergoing highly anisotropic motions. PMID:27003380

  1. Spectral density mapping at multiple magnetic fields suitable for 13C NMR relaxation studies

    NASA Astrophysics Data System (ADS)

    Kadeřávek, Pavel; Zapletal, Vojtěch; Fiala, Radovan; Srb, Pavel; Padrta, Petr; Přecechtělová, Jana Pavlíková; Šoltésová, Mária; Kowalewski, Jozef; Widmalm, Göran; Chmelík, Josef; Sklenář, Vladimír; Žídek, Lukáš

    2016-05-01

    Standard spectral density mapping protocols, well suited for the analysis of 15N relaxation rates, introduce significant systematic errors when applied to 13C relaxation data, especially if the dynamics is dominated by motions with short correlation times (small molecules, dynamic residues of macromolecules). A possibility to improve the accuracy by employing cross-correlated relaxation rates and on measurements taken at several magnetic fields has been examined. A suite of protocols for analyzing such data has been developed and their performance tested. Applicability of the proposed protocols is documented in two case studies, spectral density mapping of a uniformly labeled RNA hairpin and of a selectively labeled disaccharide exhibiting highly anisotropic tumbling. Combination of auto- and cross-correlated relaxation data acquired at three magnetic fields was applied in the former case in order to separate effects of fast motions and conformational or chemical exchange. An approach using auto-correlated relaxation rates acquired at five magnetic fields, applicable to anisotropically moving molecules, was used in the latter case. The results were compared with a more advanced analysis of data obtained by interpolation of auto-correlated relaxation rates measured at seven magnetic fields, and with the spectral density mapping of cross-correlated relaxation rates. The results showed that sufficiently accurate values of auto- and cross-correlated spectral density functions at zero and 13C frequencies can be obtained from data acquired at three magnetic fields for uniformly 13C -labeled molecules with a moderate anisotropy of the rotational diffusion tensor. Analysis of auto-correlated relaxation rates at five magnetic fields represents an alternative for molecules undergoing highly anisotropic motions.

  2. Relaxed energetic maps of kappa-carrabiose: a DFT study.

    PubMed

    Yousfi, N; Sekkal-Rahal, M; Sayede, A; Springborg, M

    2010-04-30

    The B3LYP density function was used with the 6-31G(d) basis set to perform relaxed energetic contour maps of the charged form of kappa-carrabiose in the gas phase and for the neutral form first in the gas phase and then by simulating the presence of water as solvent using the Onsager model. Only one starting conformation has been considered to perform all the calculations. Rigid energetic maps have been then constructed either by addition of diffuse or polarization functions to the basis set obtaining in that way 6-31+G(d)//6-31G(d), 6-31+G(d,p)//6-31G(d), and 6-311++G(d,p)//6-31G(d) energetic maps that have been carefully examined. The obtained structures corresponding to the lower energy conformers have been then fully optimized using different basis sets with the B3LYP method, a reversion in term of energy has been observed for the two first minima in the case of the charged disaccharide in the gas phase, this was attributed to the large grid of 30 degrees that could lead to the exclusion of an intermediate value corresponding to the real minimum of energy. We thus suggest that after establishing potential energy maps it is essential to proceed to full optimizations of the lower energy conformers. Calculations using the more accurate correlated method MP2 with the 6-31G(d) basis set have also been performed for conformers of the two disaccharides in the gas phase. PMID:20127880

  3. Comparison between the relaxation time approximation and the Boltzmann collision operator for simulation of dissipative electron transport in resonant tunnelling diodes

    NASA Astrophysics Data System (ADS)

    García-García, J.; Oriols, X.; Martín, F.; Suñé, J.

    1996-12-01

    Carrier scattering in the Wigner formalism has been introduced for the simulation of dissipative electron transport in resonant tunnelling diodes. Two approaches have been considered: the relaxation time approximation and the Boltzmann collision operator. The relaxation time and transition rates have been evaluated and have been introduced in the discretized version of the Liouville equation to obtain the Wigner distribution function and the current density. Not only phonon scattering, but also ionized impurity scattering has been accounted for in both approaches. We have compared the two scattering models on the basis of the I-V characteristics which have been simulated under various temperature and doping conditions. The results clearly reveal a lower current peak in the Boltzmann collision operator approach. Since the results of both approaches are divergent and since no clear computation advantages are obtained from the relaxation time approximation, we prefer the use of the more realistic Boltzmann collision operator for the simulation of dissipative electron transport in resonant tunnelling diodes.

  4. {sup 1}H nuclear magnetic resonance study of hydrated water dynamics in perfluorosulfonic acid ionomer Nafion

    SciTech Connect

    Han, Jun Hee; Lee, Kyu Won; Jeon, G. W.; Lee, Cheol Eui; Park, W. K.; Choi, E. H.

    2015-01-12

    We have studied the dynamics of hydrated water molecules in the proton exchange membrane of Nafion by means of high-resolution {sup 1}H nuclear magnetic resonance (NMR) measurements. “Bound” and “free” states of hydrated water clusters as well as the exchange protons were identified from the NMR chemical shift measurements, and their activation energies were obtained from the temperature-dependent laboratory- and rotating-frame spin-lattice relaxation measurements. Besides, a peculiar motional transition in the ultralow frequency region was observed at 373 K for the “free” hydrated water from the rotating-frame NMR spin-lattice relaxation time measurements.

  5. Nuclear magnetic resonance studies of biological systems

    SciTech Connect

    Antypas, W.G. Jr.

    1988-01-01

    The difference between intracellular and extracellular proton relaxation rates provides the basis for the determination of the mean hemoglobin concentration (MHC) in red blood cells. The observed water T{sub 1} relaxation data from red blood cell samples under various conditions were fit to the complete equation for the time-dependent decay of magnetization for a two-compartment system including chemical exchange. The MHC for each sample was calculated from the hematocrit and the intracellular water fraction as determined by NMR. The binding of the phosphorylcholine (PC) analogue, 2-(trimethylphosphonio)-ethylphosphate (phosphoryl-phosphocholine, PPC) to the PC binding myeloma proteins TEPC-15, McPC 603, and MOPC 167 was studied by {sup 31}P NMR.

  6. Dust grain resonant capture: A statistical study

    NASA Technical Reports Server (NTRS)

    Marzari, F.; Vanzani, V.; Weidenschilling, S. J.

    1993-01-01

    A statistical approach, based on a large number of simultaneous numerical integrations, is adopted to study the capture in external mean motion resonances with the Earth of micron size dust grains perturbed by solar radiation and wind forces. We explore the dependence of the resonant capture phenomenon on the initial eccentricity e(sub 0) and perihelion argument w(sub 0) of the dust particle orbit. The intensity of both the resonant and dissipative (Poynting-Robertson and wind drag) perturbations strongly depends on the eccentricity of the particle while the perihelion argument determines, for low inclination, the mutual geometrical configuration of the particle's orbit with respect to the Earth's orbit. We present results for three j:j+1 commensurabilities (2:3, 4:5 and 6:7) and also for particle sizes s = 15, 30 microns. This study extends our previous work on the long term orbital evolution of single dust particles trapped into resonances with the Earth.

  7. Nuclear quadrupole resonance studies of the SORC sequence and nuclear magnetic resonance studies of polymers

    SciTech Connect

    Jayakody, J.R.P.

    1993-12-31

    The behavior of induction signals during steady-state pulse irradiation in {sup 14}N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work nitrocellulose isotopically highly enriched with {sup 15}N was studied at four different temperatures between 27{degrees} and 120{degrees} Celsius and the correlation times for polymer backbone motions were obtained. Naflon films containing water (D{sub 2}O and H{sub 2} {sup 17}O) and methanol (CH{sub 3}OD, CH{sub 3} {sup 17}OH), have been studied using deuteron and oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the {sup 2}H NMR lineshapes. Activation energies extracted from {sup 2}H spin-lattice relaxation data on the high temperature side of the T{sub 1} minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotrophy of the host polymer.

  8. Studies in protein dynamics using heteronuclear nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Vugmeyster, Liliya

    Dynamic processes in proteins are important for their biological function. Several issues in protein dynamics are addressed by applying existing NMR methodologies to investigate dynamics of several small proteins. Amide H/D exchange rates have been measured for the N-terminal domain of the ribosomal protein L9, residues 1--56. The results suggest that the structure of the domain is preserved in isolation and that the stability of the isolated domain is comparable to the stability of this domain in intact L9. Single domain proteins can fold in vitro at rates in excess of 1 x 104 s-1. Measurement of folding rates of this magnitude poses a considerable technical challenge. Off-resonance 15N R1rho measurements are shown to be capable of measuring such fast protein folding rates. The measurements were performed on a sample of the peripheral subunit-binding domain from the dihydrolopoamide acetyltransferase component of the pyruvate dehydrogenase multienzyme complex from Bacillus stearothermophilus 15N labeled at Ala 11. Fast intramolecular motions (on ps-ns time scale) can be studied by heteronuclear laboratory frame NMR relaxation. The temperature dependence of the backbone dynamics of the 36-resiude subdomain of the F-actin bundling protein villin has been investigated by studying the temperature dependence of order parameters obtained from 15N relaxation measurements. The results support the hypothesis that one of the possible mechanisms of thermostability is to lower the heat capacity difference between the folded and unfolded states by lowering the contribution from the backbone dynamics. A commonly used model-free approach for the interpretation of the relaxation data for macromolecules in solution is modified to correct for the decoupling approximation between the overall and internal motions.

  9. An Open Resonator for Physical Studies

    NASA Astrophysics Data System (ADS)

    Kuzmichev, I. K.; Melezhik, P. N.; Poyedinchuk, A. Ye.

    2006-06-01

    The excitation efficency of the TEM01 q oscillation of an two-mirror hemispherical open resonator (OR) is studied. The resonator is excited by the TE01 wave of a circular waveguide joined in the middle of the OR plane mirror. Given the waveguide optimum size, the TEM01 q mode excitation efficiency reaches 78%. Analysis of the resonant system spectrum in the 4-mm wave region shows that this waveguide-OR system offers a single mode resonance curve across almost a 10-GHz tuning range. The TEM0110 mode field distribution with and without the circular waveguide in the middle of the OR plane mirror is available due to the small scatterer method. It is shown that the considered open system is suitable for measuring electromagnetic characteristics of high-loss substances and metamaterials in the short-wave end of the millimeter (mm) region as well as in the submillimeter (submm) wave region.

  10. Fast Scanning Calorimetry study of non-equilibrium relaxation in fragile organic liquids

    NASA Astrophysics Data System (ADS)

    Sadtchenko, Vlad; Bhattacharya, Deepanjan; O'Reilly, Liam

    2013-03-01

    Fast scanning calorimetry (FSC), capable of heating rates in excess of 1000000 K/s, was combined with vapor deposition technique to investigate non-equilibrium relaxation in micrometer thick viscous liquid films of several organic compounds (e.g.2-ethyl-1-hexanol, Toluene, and 1-propanol) under high vacuum conditions. Rapid heating of samples, vapor deposited at temperatures above their standard glass softening transition (Tg), resulted in observable endotherms which onset temperatures were strongly dependent on heating rate and the deposition temperature. Furthermore, all of the studied compounds were characterized by distinct critical deposition temperatures at which observation of endotherm became impossible. Based on the results of these studies, we have developed a simple model which makes it possible to infer the equilibrium enthalpy relaxation times for liquids from FSC data. We will discuss implications of these studies for contemporary models of non-equilibrium relaxation in glasses and supercooled liquids. Supported by NSF Grant 1012692.

  11. Studies of narrow autoionizing resonances in gadolinium

    SciTech Connect

    Bushaw, Bruce A.; Nortershauser, W.; Blaum, K.; Wendt, Klaus

    2003-06-30

    The autoionization (AI) spectrum of gadolinium between the first and second limits has been investigated by triple-resonance excitation with high-resolution cw lasers. A large number of narrow AI resonances have been observed and assigned total angular momentum J values. The resonances are further divided into members of AI Rydberg series converging to the second limit or other ''interloping'' levels. Fine structure in the Rydberg series has been identified and interpreted in terms of Jc j coupling. A number of detailed studies have been performed on the interloping resonances: These include lifetime determination by lineshape analysis, isotope shifts, hyperfine structure, and photoionization saturation parameters. The electronic structure of the interloping levels is discussed in terms of these studies. Linewidths generally decrease with increasing total angular momentum and the J = 7 resonances are extremely narrow with Lorentzian widths ranging from < 1 MHz up to 157 MHz. The strongest resonances are found to have cross-sections of {approx}10-12 cm{sup 2} and photoionization can be saturated with powers available from cw diode lasers.

  12. A dynamical study of Galactic globular clusters under different relaxation conditions

    NASA Astrophysics Data System (ADS)

    Zocchi, A.; Bertin, G.; Varri, A. L.

    2012-03-01

    Aims: We perform a systematic combined photometric and kinematic analysis of a sample of globular clusters under different relaxation conditions, based on their core relaxation time (as listed in available catalogs), by means of two well-known families of spherical stellar dynamical models. Systems characterized by shorter relaxation time scales are expected to be better described by isotropic King models, while less relaxed systems might be interpreted by means of non-truncated, radially-biased anisotropic f(ν) models, originally designed to represent stellar systems produced by a violent relaxation formation process and applied here for the first time to the study of globular clusters. Methods: The comparison between dynamical models and observations is performed by fitting simultaneously surface brightness and velocity dispersion profiles. For each globular cluster, the best-fit model in each family is identified, along with a full error analysis on the relevant parameters. Detailed structural properties and mass-to-light ratios are also explicitly derived. Results: We find that King models usually offer a good representation of the observed photometric profiles, but often lead to less satisfactory fits to the kinematic profiles, independently of the relaxation condition of the systems. For some less relaxed clusters, f(ν) models provide a good description of both observed profiles. Some derived structural characteristics, such as the total mass or the half-mass radius, turn out to be significantly model-dependent. The analysis confirms that, to answer some important dynamical questions that bear on the formation and evolution of globular clusters, it would be highly desirable to acquire larger numbers of accurate kinematic data-points, well distributed over the cluster field. Appendices are available in electronic form at http://www.aanda.org

  13. What can we learn from relaxation measurements of a laser-perturbed atmosphere? A modeling study

    NASA Technical Reports Server (NTRS)

    Clericetti, Agostino; Vandenbergh, Hubert; Rossi, Michel J.

    1994-01-01

    The chemical kinetic aspects of a transient increase in OH and HO2 by several orders of magnitude are explored in three model tropospheres. This chemical kinetic modeling effort was undertaken to support the operation of a pump-and-probe LIDAR instrument. A powerful excimer laser pulse perturbs the troposphere after which its relaxation back to steady state is examined by remote sensing, for example by DIAL or LIF. Instead of probing ambient levels of key free radicals, a study of the relaxation kinetics in real time enables chemical mechanistic studies in situ.

  14. Sorption selectivity in natural organic matter studied with nitroxyl paramagnetic relaxation probes.

    PubMed

    Lattao, Charisma; Cao, Xiaoyan; Li, Yuan; Mao, Jingdong; Schmidt-Rohr, Klaus; Chappell, Mark A; Miller, Lesley F; dela Cruz, Albert Leo; Pignatello, Joseph J

    2012-12-01

    Sorption site selectivity and mechanism in natural organic matter (NOM) were addressed spectroscopically by the sorption of paramagnetic nitroxyl compounds (spin probes) of different polarity, TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl) and HTEMPO (4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl). The sorbents were Pahokee peat, Beulah-Zap lignite, and a polystyrene-poly(vinyl methyl ether) (PS-PVME) polymer blend representing the mixed aliphatic-aromatic, polar-nonpolar character of NOM. Nuclear-electron spin interaction serves as an efficient relaxation pathway, resulting in attenuation of the (13)C-CP/TOSS NMR signal for (13)C nuclei in proximity to the N-O· group (r(-6) dependence). In the natural solids the spin probes sorbed more specifically (greater isotherm nonlinearity) and had lower rotational mobility (broader electron paramagnetic resonance signals) than in PS-PVME. Titration with spin probe indicated almost no selectivity for the different carbon functional groups of PS-PVME, and little to no selectivity for the different carbon moieties of Pahokee and Beulah, including aromatic, alkyl, O-alkyl, di-O-alkyl, and O-methyl. In any case, sorption site selectivity of spin probes to NOM was always weaker than partition selectivity found in model solvent-water (toluene, hexadecane, anisole, octanol) and cellulose-water systems. The results indicate little or no preferential sorption in NOM based on functional group chemistry or putative microdomain character, but rather are consistent with the filling of pores whose walls have an average chemical environment reflecting the bulk chemical composition of the solid. This work demonstrates for the first time the use of paramagnetic probes to study sorption specificity. PMID:23078290

  15. In Vitro Longitudinal Relaxivity Profile of Gd(ABE-DTTA), an Investigational Magnetic Resonance Imaging Contrast Agent

    PubMed Central

    Varga-Szemes, Akos; Kiss, Pal; Rab, Andras; Suranyi, Pal; Lenkey, Zsofia; Simor, Tamas; Bryant, Robert G.; Elgavish, Gabriel A.

    2016-01-01

    Purpose MRI contrast agents (CA) whose contrast enhancement remains relatively high even at the higher end of the magnetic field strength range would be desirable. The purpose of this work was to demonstrate such a desired magnetic field dependency of the longitudinal relaxivity for an experimental MRI CA, Gd(ABE-DTTA). Materials and Methods The relaxivity of 0.5mM and 1mM Gd(ABE-DTTA) was measured by Nuclear Magnetic Relaxation Dispersion (NMRD) in the range of 0.0002 to 1T. Two MRI and five NMR instruments were used to cover the range between 1.5 to 20T. Parallel measurement of a Gd-DTPA sample was performed throughout as reference. All measurements were carried out at 37°C and pH 7.4. Results The relaxivity values of 0.5mM and 1mM Gd(ABE-DTTA) measured at 1.5, 3, and 7T, within the presently clinically relevant magnetic field range, were 15.3, 11.8, 12.4 s-1mM-1 and 18.1, 16.7, and 13.5 s-1mM-1, respectively. The control 4 mM Gd-DTPA relaxivities at the same magnetic fields were 3.6, 3.3, and 3.0 s-1mM-1, respectively. Conclusions The longitudinal relaxivity of Gd(ABE-DTTA) measured within the presently clinically relevant field range is three to five times higher than that of most commercially available agents. Thus, Gd(ABE-DTTA) could be a practical choice at any field strength currently used in clinical imaging including those at the higher end. PMID:26872055

  16. Charge-carrier relaxation in disordered organic semiconductors studied by dark injection: Experiment and modeling

    NASA Astrophysics Data System (ADS)

    Mesta, M.; Schaefer, C.; de Groot, J.; Cottaar, J.; Coehoorn, R.; Bobbert, P. A.

    2013-11-01

    Understanding of stationary charge transport in disordered organic semiconductors has matured during recent years. However, charge-carrier relaxation in nonstationary situations is still poorly understood. Such relaxation can be studied in dark injection experiments, in which the bias applied over an unilluminated organic semiconductor device is abruptly increased. The resulting transient current reveals both charge-carrier transport and relaxation characteristics. We performed such experiments on hole-only devices of a polyfluorene-based organic semiconductor. Modeling the dark injection by solving a one-dimensional master equation using the equilibrium carrier mobility leads to a too-slow current transient, since this approach does not account for carrier relaxation. Modeling by solving a three-dimensional time-dependent master equation does take into account all carrier transport and relaxation effects. With this modeling, the time scale of the current transient is found to be in agreement with experiment. With a disorder strength somewhat smaller than extracted from the temperature-dependent stationary current-voltage characteristics, also the shape of the experimental transients is well described.

  17. Experimental study of laser-detected magnetic resonance based on atomic alignment

    SciTech Connect

    Di Domenico, Gianni; Bison, Georg; Groeger, Stephan; Knowles, Paul; Pazgalev, Anatoly S.; Rebetez, Martin; Saudan, Herve; Weis, Antoine

    2006-12-15

    We present an experimental study of the spectra produced by optical-radio-frequency double resonance in which resonant linearly polarized laser light is used in the optical pumping and detection processes. We show that the experimental spectra obtained for cesium are in excellent agreement with a very general theoretical model developed in our group [Weis, Bison, and Pazgalev, Phys. Rev. A 74, 033401 (2006)] and we investigate the limitations of this model. Finally, the results are discussed in view of their use in the study of relaxation processes in aligned alkali-metal vapors.

  18. Relaxation therapy and continuous ambulatory blood pressure in mild hypertension: a controlled study.

    PubMed Central

    van Montfrans, G A; Karemaker, J M; Wieling, W; Dunning, A J

    1990-01-01

    OBJECTIVE--To determine the long term effects of relaxation therapy on 24 hour ambulatory intra-arterial blood pressure in patients with mild untreated and uncomplicated hypertension. DESIGN--Four week screening period followed by randomisation to receive either relaxation therapy or non-specific counselling for one year. Ambulatory intra-arterial blood pressure was measured before and after treatment. SETTING--Outpatient clinic in Amsterdam's university hospital. SUBJECTS--35 Subjects aged 20-60 who were being treated by general practitioners for hypertension but were referred to take part in the study. At three consecutive screening visits all subjects had a diastolic blood pressure without treatment of 95-110 mm Hg. Subjects were excluded if they had damaged target organs, secondary hypertension, diabetes mellitus, a cholesterol concentration greater than 8 mmol/l, or a history of malignant hypertension. INTERVENTIONS--The group allocated to relaxation therapy was trained for eight weeks (one hour a week) in muscle relaxation, yoga exercises, and stress management and continued exercising twice daily for one year with monthly visits to the clinic. The control group had the same attendance schedule but had no training and were requested just to sit and relax twice a day. All subjects were asked not to change their diet or physical activity. MAIN OUTCOME MEASURE--Changes in ambulatory intra-arterial blood pressure after one year of relaxation therapy or non-specific counselling. RESULTS--Mean urinary sodium excretion, serum concentration of cholesterol, and body weight did not change in either group. Diastolic pressures measured by sphygmomanometry were 2 and 3 mm Hg lower in subjects in the relaxation group and control group respectively at the one year follow up compared with initial readings. The mean diastolic ambulatory intra-arterial pressure during the daytime had not changed after one year in either group, but small treatment effects could not be excluded

  19. Bethe lattice approach and relaxation dynamics study of spin-crossover materials

    NASA Astrophysics Data System (ADS)

    Oke, Toussaint Djidjoho; Hontinfinde, Félix; Boukheddaden, Kamel

    2015-07-01

    Dynamical properties of Prussian blue analogs and spin-crossover materials are investigated in the framework of a Blume-Emery-Griffiths (BEG) spin-1 model, where states ±1 and 0 represent the high-spin (HS) state and the low-spin state, respectively. The quadrupolar interaction depends on the temperature in the form . Magnetic interactions are controlled by a factor such that for (), magnetic ordering is not expected. The model is exactly solved using the Bethe lattice approach for the equilibrium properties. The results are closer to those calculated by numerical simulations with suitable Arrhenius-type transition rates. The study of relaxation processes of non-equilibrium HS states revealed one-step nonlinear sigmoidal relaxation curves of the HS fraction at low temperatures. We found that increasing the magnetic interactions leads to the appearance of a plateau in the thermal hysteresis as well as in the relaxation curves of the HS fraction at low temperature.

  20. Numerical study of spin relaxation by thermal fluctuation: Effect of shape anisotropy

    SciTech Connect

    Lee, K. J.; Park, N. Y.; Lee, T. D.

    2001-06-01

    Effects of the shape anisotropy on the thermally activated spin relaxation have been investigated using the stochastic Landau{endash}Lifshitz{endash}Gilbert equation. The relaxation times of a noninteracting particle and a thin film were compared with each other. In a noninteracting particle, the relaxation time largely increased with the shape anisotropy when the damping constant was smaller than a certain critical value. In this study, the critical damping constant was 0.02. However, the effect of the shape anisotropy on the energy barrier was negligible in a thin film. All of these results can be explained from the effect of magnetostatic interaction that is enhanced by precession motion at low damping constant. {copyright} 2001 American Institute of Physics.

  1. Spectroscopic and Relaxation Study of the Tritium -LABELLED-6 State in PRASEODYMIUM(3+):LANTHANUM-FLUORIDE.

    NASA Astrophysics Data System (ADS)

    Kichinski, Robert Thomas

    1988-12-01

    The relaxation behavior and hyperfine structure of the terminal ^3H_6 <=vel of the ^3P _0 - ^3H_6 transition (5985 A) in Pr^{3+ }:LaF_3 were studied using the excited state photon echo technique. The echo intensity was recorded as a function of pulse separation over nine decades of intensity. The echo signal decays exponentially with a T_2 of 250 nsec and Fourier analysis of the echo modulation yields the nuclear hyperfine splittings of the ^3 H_6<=vel. The fast decay is anomalous and remains so after examination of several possible explanations of this rate. We present stimulated echo data taken on the same transition which confirms the presence of a fast relaxation and indicates that it is due to a population decay out of the ^3 H_6 level. Temperature relaxation data is also presented.

  2. Graphene oxide-Fe{sub 3}O{sub 4} nanoparticle composite with high transverse proton relaxivity value for magnetic resonance imaging

    SciTech Connect

    Venkatesha, N.; Srivastava, Chandan; Poojar, Pavan; Geethanath, Sairam; Qurishi, Yasrib

    2015-04-21

    The potential of graphene oxide–Fe{sub 3}O{sub 4} nanoparticle (GO-Fe{sub 3}O{sub 4}) composite as an image contrast enhancing material in magnetic resonance imaging has been investigated. Proton relaxivity values were obtained in three different homogeneous dispersions of GO-Fe{sub 3}O{sub 4} composites synthesized by precipitating Fe{sub 3}O{sub 4} nanoparticles in three different reaction mixtures containing 0.01 g, 0.1 g, and 0.2 g of graphene oxide. A noticeable difference in proton relaxivity values was observed between the three cases. A comprehensive structural and magnetic characterization revealed discrete differences in the extent of reduction of the graphene oxide and spacing between the graphene oxide sheets in the three composites. The GO-Fe{sub 3}O{sub 4} composite framework that contained graphene oxide with least extent of reduction of the carboxyl groups and largest spacing between the graphene oxide sheets provided the optimum structure for yielding a very high transverse proton relaxivity value. It was found that the GO-Fe{sub 3}O{sub 4} composites possessed good biocompatibility with normal cell lines, whereas they exhibited considerable toxicity towards breast cancer cells.

  3. Collisionless Relaxation in Non-Neutral Plasmas

    SciTech Connect

    Levin, Yan; Pakter, Renato; Teles, Tarcisio N.

    2008-02-01

    A theoretical framework is presented which allows us to quantitatively predict the final stationary state achieved by a non-neutral plasma during a process of collisionless relaxation. As a specific application, the theory is used to study relaxation of charged-particle beams. It is shown that a fully matched beam relaxes to the Lynden-Bell distribution. However, when a mismatch is present and the beam oscillates, parametric resonances lead to a core-halo phase separation. The approach developed accounts for both the density and the velocity distributions in the final stationary state.

  4. Nuclear Magnetic Resonance Technology for Medical Studies

    NASA Astrophysics Data System (ADS)

    Budinger, Thomas F.; Lauterbur, Paul C.

    1984-10-01

    Nuclear magnetic resonance proton imaging provides anatomical definition of normal and abnormal tissues with a contrast and detection sensitivity superior to those of x-ray computed tomography in the human head and pelvis and parts of the cardiovascular and musculoskeletal systems. Recent improvements in technology should lead to advances in diagnostic imaging of the breast and regions of the abdomen. Selected-region nuclear magnetic resonance spectroscopy of protons, carbon-13, and phosphorus-31 has developed into a basic science tool for in vivo studies on man and a unique tool for clinical diagnoses of metabolic disorders. At present, nuclear magnetic resonance is considered safe if access to the magnet environment is controlled. Technological advances employing field strengths over 2 teslas will require biophysical studies of heating and static field effects.

  5. Fetal imaging by nuclear magnetic resonance: a study in goats: work in progress

    SciTech Connect

    Foster, M.A.; Knight, C.H.; Rimmington, J.E.; Mallard, J.R.

    1983-10-01

    Nuclear magnetic resonance proton imaging was used to obtain images of goat fetuses in utero. The long T1 relaxation time of amniotic fluid makes it appear black on proton density images when examined using the Aberdeen imager, and so allows very good discrimination of the position and structure of the fetus. Some fetal internal tissues can be seen on T1 images. These findings suggest that NMR imaging has great potential in pregnancy studies.

  6. Instructional Set, Deep Relaxation and Growth Enhancement: A Pilot Study

    ERIC Educational Resources Information Center

    Leeb, Charles; And Others

    1976-01-01

    This study provides experimental evidence that instructional set can influence access to altered states of consciousness. Fifteen male subjects were randomly assigned to three groups, each of which received the same autogenic biofeedback training in hand temperature control, but each group received a different attitudinal set. (Editor)

  7. Study of a relaxed'' ALS storage ring lattice

    SciTech Connect

    Keller, R.; Forest, E.; Nishimura, H.; Zisman, M.S.

    1990-06-01

    The lattice of the Advanced Light Source (ALS) 1--1.9 GeV electron storage ring was reexamined, introducing an additional family of focusing quadrupoles and looking for a working point with larger dynamic aperture. In the first part of this study, the ideal lattice was investigated to confirm the anticipated behavior, and indeed conditions with increased dynamic aperture were found. In the second part, realistic magnet errors and an undulator in one of the straight sections were taken into account. Under these conditions the dynamic aperture could not be significantly improved over the nominal configuration. Further studies included investigation of the Touschek momentum acceptance of the lattice. In this case too, no net benefit was obtained from the additional quadrupoles. 6 refs., 5 figs. , 2 tabs.

  8. Robust postfabrication trimming of ultracompact resonators on silicon on insulator with relaxed requirements on resolution and alignment.

    PubMed

    Alipour, Payam; Atabaki, Amir H; Askari, Murtaza; Adibi, Ali; Eftekhar, Ali A

    2015-10-01

    One of the main drawbacks of the high-index-contrast silicon-on-insulator platform in integrated photonics is the high sensitivity of the resonance wavelength of resonators to dimensional variations caused by fabrication imperfection. In this work, we experimentally demonstrate an accurate postfabrication trimming technique for compensating the fabrication-induced variations in the resonance properties of nanophotonic devices. Using this technique, we reduce the variation of the resonance wavelength of 4 μm diameter microdonut resonators by more than 1 order of magnitude to about 25 pm, which is adequate for most interconnect, optical signal processing, and sensing applications. In addition, our proposed technique has improved misalignment toleration and throughput compared to previous reports. PMID:26421560

  9. Time resolved infrared absorption studies of geminate recombination and vibrational relaxation in OClO photochemistry

    NASA Astrophysics Data System (ADS)

    Bolinger, Joshua C.; Hayes, Sophia C.; Reid, Philip J.

    2004-09-01

    Ultrafast time-resolved infrared absorption studies of aqueous chlorine dioxide (OClO) photochemistry are reported. Following photoexcitation at 401 nm, the evolution in optical density at frequencies between 1000 to 1100 cm-1 is monitored to investigate vibrational energy deposition and relaxation along the asymmetric-stretch coordinate following the reformation of ground-state OClO via geminate recombination of the primary photofragments. The measured kinetics are compared to two proposed models for the vibrational-relaxation dynamics along the asymmetric-stretch coordinate. This comparison demonstrates that the perturbation model derived from molecular dynamics studies is capable of qualitatively reproducing the observed kinetics, where the collisional model employed in previous UV-pump, visible probe experiments demonstrates poor agreement with experiment. The ability of the perturbation model to reproduce the optical-density evolution observed in these studies demonstrates that for aqueous OClO, frequency dependence of the solvent-solute coupling is important in defining the level-dependent vibrational relaxation rates along the asymmetric-stretch coordinate. The absence of optical-density evolution corresponding to the population of higher vibrational levels (n>8) along the asymmetric-stretch coordinate suggests that following geminate recombination, energy is initially deposited into a local Cl-O stretch, with the relaxation of vibrational energy from this coordinate providing for delayed vibrational excitation of the asymmetric- and symmetric-stretch coordinates relative to geminate recombination, as previously observed.

  10. A Resonant Damping Study Using Piezoelectric Materials

    NASA Technical Reports Server (NTRS)

    Min, J. B.; Duffy, K. P.; Choi, B. B.; Morrison, C. R.; Jansen, R. H.; Provenza, A. J.

    2008-01-01

    Excessive vibration of turbomachinery blades causes high cycle fatigue (HCF) problems requiring damping treatments to mitigate vibration levels. Based on the technical challenges and requirements learned from previous turbomachinery blade research, a feasibility study of resonant damping control using shunted piezoelectric patches with passive and active control techniques has been conducted on cantilever beam specimens. Test results for the passive damping circuit show that the optimum resistive shunt circuit reduces the third bending resonant vibration by almost 50%, and the optimum inductive circuit reduces the vibration by 90%. In a separate test, active control reduced vibration by approximately 98%.

  11. How morphology influences relaxivity - comparative study of superparamagnetic iron oxide-polymer hybrid nanostructures.

    PubMed

    Ebert, Sandro; Bannwarth, Markus B; Musyanovych, Anna; Landfester, Katharina; Münnemann, Kerstin

    2015-01-01

    Superparamagnetic iron oxides (SPIOs) are widely used in MRI as T2 contrast agents, and interest is still growing. Here, the T2 relaxivity of three different SPIO-polymer hybrid morphologies, i.e. homogeneously distributed iron oxide within a polymer matrix, Janus-like nanoparticles and polymer nanocapsules containing iron oxides, is studied. Making use of calculations based on theory for agglomerated systems, the obtained T2 values could be predicted for all different morphologies, except for nanocapsules. Nanocapsules, in contrast to full spheres, allow for water exchange between encapsulated water and bulk water, and thus have two contributions to relaxivity. One originates from the capsules acting as a weakly magnetized cluster and the other stems from the individual SPIOs inside the capsule. Therefore, the relaxivities were also computed using an empirical equation found in the literature, which considers water exchange, resulting in a better T2 forecast for the nanocapsules. The presented study is the first example of a comparison between measured and calculated relaxivities of nanocapsules. PMID:26153149

  12. Stress relaxation studies of granules as a function of different lubricants.

    PubMed

    Ebba, F; Piccerelle, P; Prinderre, P; Opota, D; Joachim, J

    2001-09-01

    Viscoelastic properties of granules may be studied using stress relaxation. The effect of viscoelastic properties of different lubricants, namely magnesium stearate (Mgst), talc and precirol, on granule compaction properties was examined using texture analyzer TA-XT2i at low pressure. Normalized compact curves of stress relaxation have been discussed in relation to some parameters (flowability, porosity, viscoelasticity as well as particle size). The literature shows that viscoelasticity is always present and it produces an accompanying plastic deformation.This study revealed that bonding in compacted granules lubricated with Mgst was higher than those in compacts lubricated with the other two lubricants being studied. When studying the partial porosity of granule beds, we see that this is the result of stored energy, like the tablet case and the problem of its capping. The small stress relaxation due to talc or precirol suggested that these materials deformed principally by energy storage. However, a qualitative characterization of Mgst as tablet lubricant would be that it avoids the accumulation of stress in the compact that causes the problem of capping due to the entrapped air and therefore facilitates the optimization of pharmaceutical manufacturing. It has been possible to normalize stress relaxation using the Wischert model, represented by the sum of several exponentials, according to the nature of the lubricant. The use of texture analyzer TA-XT2i was considered to be a good technique for the evaluation of the stress relaxation of solid particles in the compression process at low pressure. It permitted the observation that viscoelasticity is influenced by the lubricant used. The brittle fracture index, like Carr's index values, has been correlated with the viscoelastic characteristics of granules. PMID:11522488

  13. Local Ordering at Mobile Sites in Proteins from Nuclear Magnetic Resonance Relaxation: The Role of Site Symmetry.

    PubMed

    Tchaicheeyan, Oren; Freed, Jack H; Meirovitch, Eva

    2016-03-24

    Restricted motions in proteins (e.g., N-H bond dynamics) are studied effectively with NMR. By analogy with restricted motions in liquid crystals (LC), the local ordering has in the past been primarily represented by potentials comprising the L = 2, |K| = 0, 2 spherical harmonics. However, probes dissolved in LCs experience nonpolar ordering, often referred to as alignment, while protein-anchored probes experience polar ordering, often referred to as orientation. In this study we investigate the role of local (site) symmetry in the context of the polarity of the local ordering. We find that potentials comprising the L = 1, |K| = 0, 1 spherical harmonics represent adequately polar ordering. It is useful to characterize potential symmetry in terms of the irreducible representations of D2h point group, which is already implicit in the definition of the rotational diffusion tensor. Thus, the relevant rhombic L = 1 potentials have B1u and B3u symmetry whereas the relevant rhombic L = 2 potentials have Ag symmetry. A comprehensive scheme where local potentials and corresponding probability density functions (PDFs) are represented in Cartesian and spherical coordinates clarifies how they are affected by polar and nonpolar ordering. The Cartesian coordinates are chosen so that the principal axis of polar axial PDF is pointing along the z-axis, whereas the principal axis of the nonpolar axial PDF is pointing along ±z. Two-term axial potentials with 1 ≤ L ≤ 3 exhibit substantial diversity; they are expected to be useful in NMR-relaxation-data-fitting. It is shown how potential coefficients are reflected in the experimental order parameters. The comprehensive scheme representing local potentials and PDFs is exemplified for the L = 2 case using experimental data from (15)N-labeled plexin-B1 and thioredoxin, (2)H-, and (13)C-labeled benzenehexa-n-alkanoates, and nitroxide-labeled T4 lysozyme. Future prospects for improved ordering analysis based on combined atomistic and

  14. Analysis of 31P nuclear magnetic resonance lineshapes and transversal relaxation of bacteriophage M13 and tobacco mosaic virus.

    PubMed Central

    Magusin, P C; Hemminga, M A

    1993-01-01

    The experimentally observed 31P lineshapes and transversal relaxation of 15% (wt/wt) M13, 30% M13, and 30% tobacco mosaic virus (TMV) are compared with lineshapes and relaxation curves that are simulated for various types of rotational diffusion using the models discussed previously (Magusin, P. C. M. M., and M. A. Hemminga. 1993. Biophys. J. 64:1851-1860). It is found that isotropic diffusion cannot explain the observed lineshape effects. A rigid rod diffusion model is only successful in describing the experimental data obtained for 15% M13. For 30% M13 the experimental lineshape and relaxation curve cannot be interpreted consistently and the TMV lineshape cannot even be simulated alone, indicating that the rigid rod diffusion model does not generally apply. A combined diffusion model with fast isolated motions of the encapsulated nucleic acid dominating the lineshape and a slow overall rotation of the virion as a whole, which mainly is reflected in the transversal relaxation, is able to provide a consistent picture for the 15 and 30% M13 samples, but not for TMV. Strongly improved lineshape fits for TMV are obtained assuming that there are three binding sites with different mobilities. The presence of three binding sites is consistent with previous models of TMV. The best lineshapes are simulated for a combination of one mobile and two static sites. Although less markedly, the assumption that two fractions of DNA with different mobilities exist within M13 also improves the simulated lineshapes. The possible existence of two 31P fractions in M13 sheds new light on the nonintegral ratio 2.4:1 between the number of nucleotides and protein coat subunits in the phage: 83% of the viral DNA is less mobile, suggesting that the binding of the DNA molecule to the protein coat actually occurs at the integral ratio of two nucleotides per protein subunit. PMID:8369412

  15. In-Vivo Like Studies of the hIAPP Amyloid Precursors Using Dielectric Relaxation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hirai, Yusuke; Mahommed Assiri, Reem; Barry, Donal; Despa, Florin; Stroe, Izabela

    2013-03-01

    Recent studies show that the amyloid formation in Type II diabetic disease involves aggregation of monomers of the human islet amyloid polypeptide (hIAPP) into oligomers, protofibrils, and fibrils. Here we present data showing that Dielectric Relaxation Spectroscopy is a very sensitive technique to detect the hIAPP precursors. We measured the dielectric response of amyloidogenic hIAPP and non-amyloidogenic rIAPP as a function of frequency (10-3 Hz to 107 Hz), temperature (193K to 283K), and incubation time (0-120 h). To mimic in-vivo like conditions, the proteins were measured in bovine serum albumin. Our results show that the dielectric signal of amyloidogenic hIAPP shifts towards the dielectric signal of the background, as predicted by theoretical calculations. No similar shift is observed for the non-amyloidogenic rIAPP. In addition, the dielectric signal of both the hIAPP and the rIAPP shows two relaxation processes over the measured temperature range. We used two Havrilik-Negami functions plus conductivity to fit the two relaxation processes we determined the relaxation time for both processes and calculated the corresponding activation energies. This work was supported by the Kalenian Award.

  16. Proton and tritium NMR relaxation studies of peptide inhibitor binding to bacterial collagenase: Conformation and dynamics

    SciTech Connect

    Dive, V.; Lai, A.; Valensin, G.; Saba, G.; Yiotakis, A.; Toma, F. )

    1991-02-15

    The interaction of succinyl-Pro-Ala, a competitive inhibitor of Achromobacter iophagus collagenase, with the enzyme was studied by longitudinal proton and tritium relaxation. Specific deuterium and tritium labeling of the succinyl part at vicinal positions allowed the measurement of the cross-relaxation rates of individual proton or tritium spin pairs in the inhibitor-enzyme complex as well as in the free inhibitor. Overall correlation times, internuclear distances, and qualitative information on the internal mobility in Suc1 (as provided by the generalized order parameter S2) could be deduced by the comparison of proton and tritium cross-relaxation of spin pairs at complementary positions in the -CH2- CH2- moiety as analyzed in terms of the model-free approach by Lipari and Szabo. The conformational and motional parameters of the inhibitor in the free and enzyme-bound state were directly compared by this method. The measurement of proton cross-relaxation in the Ala residue provided additional information on the inhibitor binding. The determination of the order parameter in different parts of the inhibitor molecule in the bound state indicates that the succinyl and alanyl residues are primarily involved in the interaction with the enzyme activity site. The succinyl moiety, characterized in solution by the conformational equilibrium among the three staggered rotamers--i.e., trans: 50%; g+: 20%; g-: 30%--adopted in the bound state the unique trans conformation.

  17. Local spin dynamics at low temperature in the slowly relaxing molecular chain [Dy(hfac)3{NIT(C6H4OPh)}]: A μ+ spin relaxation study

    NASA Astrophysics Data System (ADS)

    Arosio, Paolo; Corti, Maurizio; Mariani, Manuel; Orsini, Francesco; Bogani, Lapo; Caneschi, Andrea; Lago, Jorge; Lascialfari, Alessandro

    2015-05-01

    The spin dynamics of the molecular magnetic chain [Dy(hfac)3{NIT(C6H4OPh)}] were investigated by means of the Muon Spin Relaxation (μ+SR) technique. This system consists of a magnetic lattice of alternating Dy(III) ions and radical spins, and exhibits single-chain-magnet behavior. The magnetic properties of [Dy(hfac)3{NIT(C6H4OPh)}] have been studied by measuring the magnetization vs. temperature at different applied magnetic fields (H = 5, 3500, and 16500 Oe) and by performing μ+SR experiments vs. temperature in zero field and in a longitudinal applied magnetic field H = 3500 Oe. The muon asymmetry P(t) was fitted by the sum of three components, two stretched-exponential decays with fast and intermediate relaxation times, and a third slow exponential decay. The temperature dependence of the spin dynamics has been determined by analyzing the muon longitudinal relaxation rate λinterm(T), associated with the intermediate relaxing component. The experimental λinterm(T) data were fitted with a corrected phenomenological Bloembergen-Purcell-Pound law by using a distribution of thermally activated correlation times, which average to τ = τ0 exp(Δ/kBT), corresponding to a distribution of energy barriers Δ. The correlation times can be associated with the spin freezing that occurs when the system condenses in the ground state.

  18. Theoretical study of geometry relaxation following core excitation: H2O, NH3, and CH4

    NASA Astrophysics Data System (ADS)

    Takahashi, Osamu; Kunitake, Naoto; Takaki, Saya

    2015-10-01

    Single core-hole (SCH) and double core-hole excited state molecular dynamics (MD) calculations for neutral and cationic H2O, NH3, and CH4 have been performed to examine geometry relaxation after core excitation. We observed faster X-H (X = C, N, O) bond elongation for the core-ionized state produced from the valence cationic molecule and the double-core-ionized state produced from the ground and valence cationic molecules than for the first resonant SCH state. Using the results of SCH MD simulations of the ground and valence cationic molecules, Auger decay spectra calculations were performed. We found that fast bond scission leads to peak broadening of the spectra.

  19. A study of xenon isotopes in a martian meteorite using the RELAX ultrasensitive mass spectrometer

    SciTech Connect

    Whitby, J A; Gilmour, J D; Turner, G

    1997-01-15

    The Refrigerator Enhanced Analyser for Xenon (RELAX), an ultrasensitive resonance ionization time-of-flight mass spectrometer, has been used with a laser microprobe to investigate the isotopic composition of xenon trapped in the martian meteorite ALH84001. The laser microprobe has a spatial resolution of the order of 100{mu}m thus allowing the in situ analysis of individual mineral grains in a polished section when combined with ultrasensitive, low blank sample analysis. We present results showing that the mineral orthopyroxene in ALH84001 contains a trapped xenon component consistent with a martian origin. Additionally, a cosmic ray exposure age of 15Ma for ALH84001 is obtained from spallation derived xenon trapped within an apatite grain.

  20. Study of relaxation and transport processes by means of AFM based dielectric spectroscopy

    SciTech Connect

    Miccio, Luis A.

    2014-05-15

    Since its birth a few years ago, dielectric spectroscopy studies based on atomic force microscopy (AFM) have gained a growing interest. Not only the frequency and temperature ranges have become broader since then but also the kind of processes that can be studied by means of this approach. In this work we analyze the most adequate experimental setup for the study of several dielectric processes with a spatial resolution of a few nanometers by using force mode AFM based dielectric spectroscopy. Proof of concept experiments were performed on PS/PVAc blends and PMMA homopolymer films, for temperatures ranging from 300 to 400 K. Charge transport processes were also studied by this approach. The obtained results were analyzed in terms of cantilever stray contribution, film thickness and relaxation strength. We found that the method sensitivity is strongly coupled with the film thickness and the relaxation strength, and that it is possible to control it by using an adequate experimental setup.

  1. Defect-related internal dissipation in mechanical resonators and the study of coupled mechanical systems.

    SciTech Connect

    Friedmann, Thomas Aquinas; Czaplewski, David A.; Sullivan, John Patrick; Modine, Normand Arthur; Wendt, Joel Robert; Aslam, Dean (Michigan State University, Lansing, MI); Sepulveda-Alancastro, Nelson (University of Puerto Rico, Mayaguez, PR)

    2007-01-01

    Understanding internal dissipation in resonant mechanical systems at the micro- and nanoscale is of great technological and fundamental interest. Resonant mechanical systems are central to many sensor technologies, and microscale resonators form the basis of a variety of scanning probe microscopies. Furthermore, coupled resonant mechanical systems are of great utility for the study of complex dynamics in systems ranging from biology to electronics to photonics. In this work, we report the detailed experimental study of internal dissipation in micro- and nanomechanical oscillators fabricated from amorphous and crystalline diamond materials, atomistic modeling of dissipation in amorphous, defect-free, and defect-containing crystalline silicon, and experimental work on the properties of one-dimensional and two-dimensional coupled mechanical oscillator arrays. We have identified that internal dissipation in most micro- and nanoscale oscillators is limited by defect relaxation processes, with large differences in the nature of the defects as the local order of the material ranges from amorphous to crystalline. Atomistic simulations also showed a dominant role of defect relaxation processes in controlling internal dissipation. Our studies of one-dimensional and two-dimensional coupled oscillator arrays revealed that it is possible to create mechanical systems that should be ideal for the study of non-linear dynamics and localization.

  2. Nuclear magnetic resonance-paramagnetic relaxation enhancements: Influence of spatial quantization of the electron spin when the zero-field splitting energy is larger than the Zeeman energy

    NASA Astrophysics Data System (ADS)

    Abernathy, S. M.; Miller, J. C.; Lohr, L. L.; Sharp, R. R.

    1998-09-01

    Dissolved paramagnetic ions generally provide an efficient mechanism for the relaxation of nuclear spins in solution, a phenomenon called the nuclear magnetic resonance-paramagnetic relaxation enhancement (NMR-PRE). Metal ions with electron spins S⩾1 exhibit rich NMR relaxation phenomena originating in the properties of the zero-field splitting (zfs) interaction, which vanishes for spin-1/2 ions but which is nonzero for S⩾1 ions in site symmetry lower than cubic. For S⩾1 ions in the vicinity of the zfs-limit, i.e., at magnetic-field strengths low enough that the zfs energy exceeds the Zeeman energy, the NMR-PRE depends strongly on the detailed structure of the electron spin energy levels as well as on the spatial quantization of the spin motion. It is shown theoretically and experimentally that the NMR-PRE produced by integer spins can be influenced strongly by the small intradoublet zero-field splittings, i.e., the splittings between the components of the non-Kramers doublets, which are produced by noncylindrical components of the crystal field potential. These small splittings produce relatively low-frequency oscillations in the dipolar field associated with (the spin component along the molecule-fixed ẑ axis). These motions decouple the nuclear spin from the electron spin, thereby depressing, in some cases very strongly, the NMR-PRE. The presence of a relatively small Zeeman field, comparable in magnitude to the intradoublet spacing but small compared to the larger interdoublet zfs splittings, causes a major change in the spin wave functions which has profound effects on the motions of the electron spin. When the Zeeman energy exceeds the small zfs splitting, the oscillatory motion of damps out, with the result that the electron spin couples more effectively to the nuclear spin, providing a more efficient NMR relaxation pathway. NMR-PRE data are presented for the S=1 complex Ni(II)(o-pda)2Cl2 (o-pda=ortho-phenylenediamine) which confirm the

  3. Composition Dependent Analysis of Raman Spectra in the Modified Boroaluminosilicate System: Implications for Coupling Between Structural Resonance and Relaxation in the Glass Network

    SciTech Connect

    S. V. Raman; R. S. Czernuszewicz; A. A. Zareba

    2004-04-01

    The boroaluminosilicate system was systematically modified by addition of magnesium, sodium and zirconium oxides. Strong bridging silicate bands and narrow and intense nonbridging silicate bands compose the Raman spectra of glasses. The fundamental nonbridging molecular species bands are related to the bridged network bands by the first overtone and signify anharmonic oscillation. At a constant degree of depolymerisation, the nonbridging band intensity depends on the silica content. With decrease in silica content, the bridged network band frequency shifts to a higher value and simultaneously the nonbridging bands intensify. The sharp rise in intensity for the nonbridging bands is attributed to resonant oscillations between the bridged lattice network and nonbridging molecular species. The resonance between the two structural entities possibly occurs in response to relaxation of the bridged network with decrease in silica content. Contributions to enhancement of intensity also presumably arise from resonance in valency bonds and oscillations in the oxygen edge shared polyhedral (ESP) structure for the nonbridging molecular species. The force constant of the ESP species varies as a function of zirconium, sodium and magnesium coordination to apex nonbridging oxygens. The single ESP band transforms to Fermi doublet upon crystallisation to orthosilicate structures of zircon and forsterite. 32 refs.

  4. Magnetic resonance diffusion and relaxation characterization of water in the unfrozen vein network in polycrystalline ice and its response to microbial metabolic products

    NASA Astrophysics Data System (ADS)

    Brown, Jennifer R.; Brox, Timothy I.; Vogt, Sarah J.; Seymour, Joseph D.; Skidmore, Mark L.; Codd, Sarah L.

    2012-12-01

    Polycrystalline ice, as found in glaciers and the ice sheets of Antarctica, is a low porosity porous media consisting of a complicated and dynamic pore structure of liquid-filled intercrystalline veins within a solid ice matrix. In this work, Nuclear Magnetic Resonance measurements of relaxation rates and molecular diffusion, useful for probing pore structure and transport dynamics in porous systems, were used to physically characterize the unfrozen vein network structure in ice and its response to the presence of metabolic products produced by V3519-10, a cold tolerant microorganism isolated from the Vostok ice core. Recent research has found microorganisms that can remain viable and even metabolically active within icy environments at sub-zero temperatures. One potential mechanism of survival for V3519-10 is secretion of an extracellular ice binding protein that binds to the prism face of ice crystals and inhibits ice recrystallization, a coarsening process resulting in crystal growth with ice aging. Understanding the impact of ice binding activity on the bulk vein network structure in ice is important to modeling of frozen geophysical systems and in development of ice interacting proteins for biotechnology applications, such as cryopreservation of cell lines, and manufacturing processes in food sciences. Here, we present the first observations of recrystallization inhibition in low porosity ice containing V3519-10 extracellular protein extract as measured with Nuclear Magnetic Resonance and Magnetic Resonance Imaging.

  5. A study of the stack relaxation in thermal batteries on activation

    SciTech Connect

    GUIDOTTI,RONALD A.; REINHARDT,FREDERICK W.; THOMAS,EDWARD V.

    2000-04-17

    The stack-relaxation processes occurring in a thermal-battery upon activation and discharge were studied dynamically with a special test fixture that incorporated an internal load cell. The factors which were screened initially included stack diameter and height (number of cells), thickness and binder content of the separator, temperature, and closing pressure. A second series of more-detailed experiments included only those factors that were identified by the screening study as being important (as closing force, number of cells, and separator thickness). The resulting experimental data from this second series of experiments were used to generate a surface-response model based on these three factors. This model accounted for 94% of the variation in the response (final stack-relaxation pressure) over the range of conditions studied.

  6. A magnetic resonance (MR) compatible selective brain temperature manipulation system for preclinical study

    PubMed Central

    Liu, Qingwei; Cai, Yu; Lin, Weili; Turner, Gregory H; An, Hongyu

    2012-01-01

    There is overwhelming evidence that hypothermia can improve the outcome of an ischemic stroke. However, the most widely used systemic cooling method could lead to multiple side effects, while the incompatibility with magnetic resonance imaging of the present selective cooling methods highly limit their application in preclinical studies. In this study, we developed a magnetic resonance compatible selective brain temperature manipulation system for small animals, which can regulate brain temperature quickly and accurately for a desired period of time, while maintaining the normal body physiological conditions. This device was utilized to examine the relationship between T1 relaxation, cerebral blood flow, and temperature in brain tissue during magnetic resonance imaging of ischemic stroke. The results showed that this device can be an efficient brain temperature manipulation tool for preclinical studies needing local hypothermic or hyperthermic conditions. PMID:23166453

  7. Effect of massage therapy on pain, anxiety, relaxation, and tension after colorectal surgery: A randomized study.

    PubMed

    Dreyer, Nikol E; Cutshall, Susanne M; Huebner, Marianne; Foss, Diane M; Lovely, Jenna K; Bauer, Brent A; Cima, Robert R

    2015-08-01

    The purpose of this randomized controlled trial was to evaluate the effect of postoperative massage in patients undergoing abdominal colorectal surgery. One hundred twenty-seven patients were randomized to receive a 20-min massage (n = 61) or social visit and relaxation session (no massage; n = 66) on postoperative days 2 and 3. Vital signs and psychological well-being (pain, tension, anxiety, satisfaction with care, relaxation) were assessed before and after each intervention. The study results indicated that postoperative massage significantly improved the patients' perception of pain, tension, and anxiety, but overall satisfaction was unchanged. In conclusion, massage may be beneficial during postoperative recovery for patients undergoing abdominal colorectal surgery. Further studies are warranted to optimize timing and duration and to determine other benefits in this clinical setting. PMID:26256133

  8. Relaxation behavior of polymers through the study of oligomer model compounds

    NASA Astrophysics Data System (ADS)

    Ezquerra, T. A.

    2000-06-01

    The relaxation behavior of a series of ether-ketone oligomers was studied by means of dielectric spectroscopy. In order to isolate chain stiffness from other intermolecular factors, we studied chemically homogeneous, strictly monodisperse, low molecular weight ether-ketone model compounds. The dynamics of the α relaxation of ether-ketone model compounds as compared with that of the homologous polymer PEKK (50/50), shows up differences which can be attributed to the variation of inter and intra molecular correlations with the chain length. Model compounds exhibit a nearly similar degree of cooperativity regardless the differences in Tg values. The PEKK(50/50) polymer exhibits stronger cooperativity than the oligomers suggesting that in poly(ether-ketone-ketone)s molecular motions above Tg extend to more than one monomeric unit. .

  9. A new substance to relax polychaete worms (Annelida) prior to morphological study

    PubMed Central

    Bonyadi-Naeini, Alieh; Rahimian, Hassan; Glasby, Christopher J.

    2016-01-01

    Abstract A variety of chemical substances have been used to relax and/or immobilize polychaete worms, and other invertebrates, prior to specimen preparation for morphological examination. To solve difficulties encountered during the study of nereidid polychaetes (Annelida: Phyllodocida), an experiment was designed and carried out to investigate a new relaxing agent to immobilize nereidid specimens and stimulate pharynx eversion. The new substance, Dentol® (Khoraman laboratory, Iran), a dental anesthetic and antiseptic medicine containing 10% Carvacrol as the effective ingredient, was used for the first time and compared with other substances that have been used traditionally in polychaete studies. Crosstab analysis showed significant differences between different treatment groups, with Dentol® providing much better results for all considered criteria. PMID:27408556

  10. A new substance to relax polychaete worms (Annelida) prior to morphological study.

    PubMed

    Bonyadi-Naeini, Alieh; Rahimian, Hassan; Glasby, Christopher J

    2016-01-01

    A variety of chemical substances have been used to relax and/or immobilize polychaete worms, and other invertebrates, prior to specimen preparation for morphological examination. To solve difficulties encountered during the study of nereidid polychaetes (Annelida: Phyllodocida), an experiment was designed and carried out to investigate a new relaxing agent to immobilize nereidid specimens and stimulate pharynx eversion. The new substance, Dentol® (Khoraman laboratory, Iran), a dental anesthetic and antiseptic medicine containing 10% Carvacrol as the effective ingredient, was used for the first time and compared with other substances that have been used traditionally in polychaete studies. Crosstab analysis showed significant differences between different treatment groups, with Dentol® providing much better results for all considered criteria. PMID:27408556

  11. Quadrupole resonance spectroscopic study of narcotic materials

    NASA Astrophysics Data System (ADS)

    Rayner, Timothy J.; West, Rebecca; Garroway, Allen N.; Lyndquist, R.; Yesinowski, James P.

    1997-02-01

    Bulk narcotic detection systems based upon Quadrupole Resonance Analysis (QRA) technology have a major advantage over imaging technologies, in that QRA is chemical-specific and consequently has a lower rate of false alarms. QRA is a magnetic resonance technology which occurs as a result of the inherent molecular properties of the atomic nuclei in crystalline and amorphous solids. The QRA response is characterized by 1) the precessional frequency of the nucleus, and 2) the nature of the electric field gradient experienced by the nucleus,due to its molecular environment. Another important detection parameter is linewidth, resonant quality. All of these parameters depend on sample purity and manufacturing process. Quantum Magnetics recently carried out a study on the QRA signatures of various narcotic materials with the support of the US Army, US Customs, and the Office of National Drug Control Policy. The aim of the study was to fully characterize the variation in QRA spectroscopic parameters of different samples of cocaine base and cocaine hydrochloride. The results from this study ar discussed here.

  12. A nuclear magnetic resonance study of water in aggrecan solutions

    PubMed Central

    Foster, Richard J.; Damion, Robin A.; Baboolal, Thomas G.; Smye, Stephen W.; Ries, Michael E.

    2016-01-01

    Aggrecan, a highly charged macromolecule found in articular cartilage, was investigated in aqueous salt solutions with proton nuclear magnetic resonance. The longitudinal and transverse relaxation rates were determined at two different field strengths, 9.4 T and 0.5 T, for a range of temperatures and aggrecan concentrations. The diffusion coefficients of the water molecules were also measured as a function of temperature and aggrecan concentration, using a pulsed field gradient technique at 9.4 T. Assuming an Arrhenius relationship, the activation energies for the various relaxation processes and the translational motion of the water molecules were determined from temperature dependencies as a function of aggrecan concentration in the range 0–5.3% w/w. The longitudinal relaxation rate and inverse diffusion coefficient were approximately equally dependent on concentration and only increased by upto 20% from that of the salt solution. The transverse relaxation rate at high field demonstrated greatest concentration dependence, changing by an order of magnitude across the concentration range examined. We attribute this primarily to chemical exchange. Activation energies appeared to be approximately independent of aggrecan concentration, except for that of the low-field transverse relaxation rate, which decreased with concentration. PMID:27069663

  13. Structural relaxation mechanisms in liquid Eugenol. A depolarized light scattering study

    NASA Astrophysics Data System (ADS)

    Bezot, P.; Hesse-Bezot, C.; Roynard, D.; Jeanneaux, F.

    1988-07-01

    A depolarized light scattering study of liquid Eugenol, over a large temperature range including the supercooled region, is proposed. Comparisons with shear mechanical impedance measurements, obtained at lower frequencies, lead to more precise information on the viscoelastic parameters in the supercooled region. The structural relaxation process measurements by means of the photon correlation technique are compared to the dielectric and mechanical measurements. Molecular mechanisms are proposed.

  14. Exercise and relaxation intervention for patients with advanced lung cancer: a qualitative feasibility study.

    PubMed

    Adamsen, L; Stage, M; Laursen, J; Rørth, M; Quist, M

    2012-12-01

    Lung cancer patients experience loss of physical capacity, dyspnea, pain, reduced energy and psychological distress. The aim of this study was to explore feasibility, health benefits and barriers of exercise in former sedentary patients with advanced stage lung cancer, non-small cell lung cancer (NSCLC) (III-IV) and small cell lung cancer (SCLC) (ED), undergoing chemotherapy. The intervention consisted of a hospital-based, supervised, group exercise and relaxation program comprising resistance-, cardiovascular- and relaxation training 4 h weekly, 6 weeks, and a concurrent unsupervised home-based exercise program. An explorative study using individual semi-structured interviews (n=15) and one focus group interview (n=8) was conducted among the participants. Throughout the intervention the patients experienced increased muscle strength, improvement in wellbeing, breathlessness and energy. The group exercise and relaxation intervention showed an adherence rate of 76%, whereas the patients failed to comply with the home-based exercise. The hospital-based intervention initiated at time of diagnosis encouraged former sedentary lung cancer patients to participation and was undertaken safely by cancer patients with advanced stages of disease, during treatment. The patients experienced physical, functional and emotional benefits. This study confirmed that supervised training in peer-groups was beneficial, even in a cancer population with full-blown symptom burden and poor prognosis. PMID:21599754

  15. Microscopic insight into the pump-probe relaxation dynamics of superconductors: Model study of MgB2relaxation within nonlinear response theory

    NASA Astrophysics Data System (ADS)

    Baňacký, Pavol; Szöcs, Vojtech

    2016-05-01

    Here we present a quantum-statistical formulation of third-order polarization P(3)(t), which is induced in a sample by a sequence of incident external fields, and serves as a source of an emitted radiation field detected as a signal in pump-probe (PP) experiments. Our treatment is based on the perturbation expansion of the non-equilibrium density matrix for calculation of multi-time correlation functions, and the corresponding response function, at finite temperature. As a model for our study, the high-temperature superconductor MgB2 has been selected. Knowledge of the electronic structure of the studied system, and of the corresponding Eliashberg function that represents pertinent electron-phonon (EP) interactions, enabled us to distinguish non-equilibrium processes running over different time-periods in a sequence of interactions with laser pulses on a microscopic level. We have also derived temperature-dependent relaxation dynamics as a function of delay time between the pump and probe pulses. For the studied model system of MgB2, we have shown that an abrupt increase of the relaxation time at Tc, as detected by experiments, is the direct consequence of sudden changes in the character of EP coupling in transition from an adiabatic to a stabilized superconducting anti-adiabatic state, as it predicts the anti-adiabatic theory of electron-vibration interactions. The BCS model, which preserves the adiabatic character of EP coupling also below the critical temperature of MgB2, is basically unable to reflect the enormous sudden increase of the relaxation time. Based on diagrammatic perturbation theory, differences in the optical pump-optical probe and the optical pump-terahertz probe settings of MgB2 PP relaxation dynamics are discussed.

  16. Molecular mobility and relaxation process of isolated lignin studied by multifrequency calorimetric experiments.

    PubMed

    Guigo, Nathanael; Mija, Alice; Vincent, Luc; Sbirrazzuoli, Nicolas

    2009-02-28

    The glass transition of lignin has been studied by multifrequency calorimetric measurements in order to highlight the morphological changes and the dynamic aspects associated to this relaxation process. Influences of water sorption and thermal annealing on molecular mobility have been considered. Additional investigations by thermogravimetry, infra-red spectroscopy and rheometry have been performed to corroborate the claims. The relaxation process of annealed lignin shows a different behaviour as the consequence of micro-structural modifications of lignin. These are explained by redistribution of secondary bonds as well as formation of new interunit linkages. Concerning the dynamic aspects, apparent activation energy, E, and sizes of cooperatively rearranging region, V(crr), have been evaluated respectively from the frequency dependence and heat capacity measurements of the glass transition. Compared to dried lignin, both E and V(crr) significantly decrease in a water-sorbed matrix indicating that the three-dimensional structure presents a higher mobility and is less confined. PMID:19209367

  17. Influence of interface relaxation on passivation kinetics in H2 of coordination Pb defects at the (111)Si/SiO2 interface revealed by electron spin resonance

    NASA Astrophysics Data System (ADS)

    Stesmans, A.

    2002-08-01

    Electron spin resonance studies have been carried out on the isothermal passivation kinetics in 1 atm molecular H2 of trivalent Si traps (Pbs;Si3Triple_BondSi(sup [round bullet, filled])) at the interface of thermal (111)/Si/SiO2 as a function of oxidation temperature Tox in the range 250-1100 degC. Interpretation within the generalized simple thermal (GST) passivation model, based on first-order interaction kinetics, reveals a distinct increase in spread sigmaEf in the activation energy for passivation Ef with decreasing Tox (approx3 times in the covered Tox window), while the other key kinetic parameters (Ef, preexponential factor) remain essentially unchanged. The variation in sigmaEf is ascribed to differently relaxed interfacial stress, affecting the spread in Pb defect morphology. In a second analytic part, the impact of the variation in Ef, and correlatively in the activation energy Ed for PbH dissociation, on Pb-hydrogen interaction kinetics is assessed within the GST-based full interaction scheme, describing parallel competing action of passivation and dissociation. In particular, the passivation behavior in 1 atm H2 of an initially exhaustively depassivated Pb system, is analyzed exposing, as a major result, that growing spreads sigmaEf, sigmaEd result in a drastic reduction in passivation efficiency (drop by four orders of magnitude for a threefold increase in sigmaEf). For sigmaEf/Ef[greater, similar]20%, the Pb system cannot be inactivated beyond the 90% level, incompatible with device quality requirements. Heating time/temperature vs spread conditions for optimum passivation in H2 have been established, and the technological impact of altering sigmaEf, sigmaEd is discussed. At film edges and trench corners, which are vulnerable local regions of exces stress, and hence enhanced sigmaEf, sigmaEd, an edge defeat effect with respect to passivation is exposed. Within the relentless scaling of Si-based integrated circuit devices, the growing relative impact

  18. Electronic relaxation dynamics of PCDA-PDA studied by transient absorption spectroscopy.

    PubMed

    Joung, Joonyoung F; Baek, Junwoo; Kim, Youngseo; Lee, Songyi; Kim, Myung Hwa; Yoon, Juyoung; Park, Sungnam

    2016-08-17

    Photo-curable polymers originating from 10,12-pentacosadiynoic acid (PCDA-PDA) are commonly used polydiacetylenes (PDAs). PCDA-PDA exhibits thermochromic properties undergoing a unique colorimetric transition from blue to red as the temperature is increased from low to high. In this work, we have carefully studied the temperature-dependent optical properties of PCDA-PDA by using UV-visible absorption, FTIR, Raman, and transient absorption (TA) spectroscopy in combination with quantum chemical calculations. Temperature-dependent UV-visible absorption spectra indicate that PCDA-PDA exhibits reversible thermochromic properties up to 60 °C and its thermochromic properties become irreversible above 60 °C. Such distinct thermochromic properties are also manifested in TA signals so that the electronically excited PCDA-PDA relaxes to the ground state via an intermediate state at 20 °C (blue form) but it relaxes directly back to the ground state at 80 °C (red form). The electronic relaxation dynamics of PCDA-PDA are comprehensively analyzed based on different kinetic models by using the global fitting analysis method. The intermediate state in the blue form of PCDA-PDA is clearly found to be responsible for fluorescence quenching. FTIR and Raman spectroscopy and quantum chemical calculations confirm that the H-bonds between the carboxylic acid groups in PCDA-PDA are broken at high temperatures leading to an irreversible structural change of PCDA-PDA. PMID:27492212

  19. Some physical chemical concepts relevant to coal science. [Dielectric relaxation studies of water present in coals

    SciTech Connect

    Neumann, R.M.

    1984-09-01

    This report discusses approaches to understanding certain physical and physical chemical properties of low-rank coals from a molecular perspective. Dielectric relaxation measurements are described which have identified two distinct modes of water incorporation in lignite. The theoretical aspects of dielectric relaxation are presented along with the experimental details. The need for performing vapor pressure measurements on lignite-water vapor equilibrium systems is examined. In recent years, many researchers have attempted to understand the macromolecular network in coal by means of techniques useful for studying bulk polymers. Here, the underlying theoretical ideas are presented for dynamic mechanical relaxation and rubber elasticity. Researchers have drawn inferences, from the measurement of viscoelastic properties of coals, about the molecular nature of the crosslinking in the organic network. Their conclusions are critically examined and suggestions are made as to how the experimental procedures might be improved. The interpretation of the temperature dependence of slag viscosity is a particularly vexing problem. Here, it is suggested that the theoretical methods used to describe the viscosity of molten glasses may be useful as a point of departure in characterizing slag viscosities. Finally, a brief outline of the Hildebrand theory of liquid-liquid miscibility is presented; the ideas relevent to understanding supercritical solvent extraction of coals in terms of the Hildebrand solubility parameter are discussed. 28 references, 22 figures.

  20. In Vivo Natural-Abundance 13C Nuclear Magnetic Resonance Studies of Living Ectomycorrhizal Fungi 1

    PubMed Central

    Martin, Francis; Canet, Daniel; Marchal, Jean-Pierre; Brondeau, Jean

    1984-01-01

    Natural-abundance 13C nuclear magnetic resonance spectroscopy has been used to study intact mycelia of the ectomycorrhizal fungi Cenococcum graniforme (Ascomycetes) and Hebeloma crustuliniforme (Basidiomycetes). A number of sharp resonances are observed in living fungi. These signals primarily arise from fatty acyl chains and carbohydrate nuclei. The spectra are interpreted in terms of relative concentrations of the major fatty acids present in the fungal triglycerides. The small line width of fatty acids (mainly oleic, linoleic, and palmitic acids) resonances and spin-lattice relaxation time are indicative of fast rotational reorientations and are consequently thought to arise from fatty acyl chains in fat droplets. We were able to locate the site of lipids accumulation within mycelia using light microscopy and histological staining. Many lipid droplets were observed in mycelia of both species. These results suggest that fatty acids droplets could be involved in carbon storage and metabolism from ectomycorrhizal fungi. PMID:16663561

  1. Backbone Relaxation Coupled to the Ionization of Internal Groups in Proteins: A Self-Guided Langevin Dynamics Study

    PubMed Central

    Damjanović, Ana; Wu, Xiongwu; García-Moreno E., Bertrand; Brooks, Bernard R.

    2008-01-01

    Pathways of structural relaxation triggered by ionization of internal groups in staphylococcal nuclease (SNase) were studied through multiple self-guided Langevin dynamics (SGLD) simulations. Circular dichroism, steady-state Trp fluorescence, and nuclear magnetic resonance spectroscopy have shown previously that variants of SNase with internal Glu, Asp, and Lys at positions 66 or 92, and Arg at position 66, exhibit local reorganization or global unfolding when the internal ionizable group is charged. Except for Arg-66, these internal ionizable groups have unusual pKa values and are neutral at physiological pH. The structural trends observed in the simulations are in general agreement with experimental observations. The I92D variant, which unfolds globally upon ionization of Asp-92, in simulations often exhibits extensive hydration of the protein core, and sometimes also significant perturbations of the β-barrel. In the crystal structure of the V66R variant, the β1 strand from the β-barrel is domain-swapped; in the simulations, the β1 strand is sometimes partially released. The V66K variant, which in solutions shows reorganization of six residues at the C-terminus of helix α1 and perturbations in the β-barrel structure, exhibits fraying of three residues of helix α1 in one simulation, and perturbations and partial unfolding of three β-strands in a few other simulations. In sharp contrast, very small structural changes were observed in simulations of the wild-type protein. The simulations indicate that charging of internal groups frequently triggers penetration of water into the protein interior. The pKa values of Asp-92 and Arg-66 calculated with continuum methods on SGLD-relaxed structures reached the normal values in most simulations. Detailed analysis of accuracy and performance of SGLD demonstrates that SGLD outperforms LD in sampling of alternative protein conformations without loss of the accuracy and level of detail characteristic of regular LD. PMID

  2. Cardiovascular Phenotype in Patients with Heart Failure and Preserved Ejection Fraction with or without Diabetes: A RELAX Trial Ancillary Study

    PubMed Central

    Lindman, Brian R.; Dávila-Román, Victor G.; Mann, Douglas L.; McNulty, Steven; Semigran, Marc J.; Lewis, Gregory D.; de las Fuentes, Lisa; Joseph, Susan M.; Vader, Justin; Hernandez, Adrian F.; Redfield, Margaret M.

    2014-01-01

    Background RELAX was a multicenter randomized trial of sildenafil versus placebo in heart failure and preserved ejection fraction (HFpEF) with rigorous entry criteria and extensive phenotypic characterization of participants. Objectives To characterize clinical features, exercise capacity, and outcomes in patients with HFpEF with or without diabetes and gain insight into contributing pathophysiologic mechanisms. Methods RELAX enrolled 216 stable outpatients with heart failure, EF ≥50%, elevated natriuretic peptide or intracardiac pressures, and reduced exercise capacity. Prospectively collected data included echocardiography, cardiac magnetic resonance imaging, a comprehensive biomarker panel, exercise testing, and clinical events over 6 months. Results Compared with non-diabetics (n=123), diabetic (n=93) HFpEF patients were younger, more obese, more often male, and had a higher prevalence of hypertension, renal dysfunction, pulmonary disease, and vascular disease (p<0.05 for all). Uric acid, C-reactive protein, galectin-3, carboxy-terminal telopeptide of collagen type I, and endothelin-1 levels were higher in diabetics (p<0.05 for all). Diabetic patients had more ventricular hypertrophy but systolic and diastolic ventricular function parameters were similar in diabetics and non-diabetics except for a trend toward higher filling pressures (E/e′) in diabetics. Diabetics had worse maximal (peak oxygen uptake) and submaximal (6-minute walk distance) exercise capacity (p<0.01 for both). Diabetic patients were more likely to have been hospitalized for HF in the year prior to study entry (47% vs 28%, p=0.004) and had a higher incidence of cardiac or renal hospitalization at 6 months after enrollment (23.7% vs 4.9%, p<0.001). Conclusions HFpEF patients with diabetes are at increased risk of hospitalization and have reduced exercise capacity. Multi-morbidity, impaired chronotropic reserve, left ventricular hypertrophy and activation of inflammatory, pro

  3. Effects of Unloading on Knee Articular Cartilage T1rho and T2 Magnetic Resonance Imaging Relaxation Times: A Case Series

    PubMed Central

    SOUZA, RICHARD B.; BAUM, THOMAS; WU, SAMUEL; FEELEY, BRIAN T.; KADEL, NANCY; LI, XIAOJUAN; LINK, THOMAS M.; MAJUMDAR, SHARMILA

    2013-01-01

    STUDY DESIGN Case series. BACKGROUND It has been shown in rodent and canine models that cartilage composition is significantly altered in response to long-term unloading. To date, however, no in vivo human studies have investigated this topic. The objective of this case series was to determine the influence of unloading and reloading on T1rho and T2 relaxation times of articular cartilage in healthy young joints. CASE DESCRIPTION Ten patients who required 6 to 8 weeks of non–weight bearing (NWB) for injuries affecting the distal lower extremity participated in the study. Quantitative T1rho and T2 imaging of the ipsilateral knee joint was performed at 3 time points: (1) prior to surgery (baseline), (2) immediately after a period of NWB (post-NWB), and (3) after 4 weeks of full weight bearing (post-FWB). Cartilage regions of interest were segmented and overlaid on T1rho and T2 relaxation time maps for quantification. Descriptive statistics are provided for all changes. OUTCOMES Increases of 5% to 10% in T1rho times of all femoral and tibial compartments were noted post-NWB. All values returned to near-baseline levels post-FWB. Increases in medial tibia T2 times were noted post-NWB and remained elevated post-FWB. The load-bearing regions showed the most significant changes in response to unloading, with increases of up to 12%. DISCUSSION The observation of a transient shift in relaxation times confirms that cartilage composition is subject to alterations based on loading conditions. These changes appear to be mostly related to proteoglycan content and more localized to the load-bearing regions. However, following 4 weeks of full weight bearing, relaxation times of nearly all regions had returned to baseline levels, demonstrating reversibility in compositional fluctuations. LEVEL OF EVIDENCE Therapy, level 4. PMID:22402583

  4. Silica-F127 nanohybrid-encapsulated manganese oxide nanoparticles for optimized T1 magnetic resonance relaxivity

    NASA Astrophysics Data System (ADS)

    Wei Hsu, Benedict You; Wang, Miao; Zhang, Yu; Vijayaragavan, Vimalan; Wong, Siew Yee; Yuang-Chi Chang, Alex; Bhakoo, Kishore Kumar; Li, Xu; Wang, John

    2013-12-01

    To properly engineer MnO nanoparticles (MONPs) of high r1 relaxivity, a nanohybrid coating consisting of silica and F127 (PEO106PPO70PEO106) is designed to encapsulate MONPs. Achieved by an interfacial templating scheme, the nanohybrid encapsulating layer is highly permeable and hydrophilic to allow for an optimal access of water molecules to the encapsulated manganese oxide core. Hence, the efficacy of MONPs as MRI contrast agents is significantly improved, as demonstrated by an enhancement of the MR signal measured with a pre-clinical 7.0 T MRI scanner. The nanohybrid encapsulation strategy also confers high colloidal stability to the hydrophobic MONPs by the surface decoration of PEO chains and a small overall diameter (<100 nm) of the PEO-SiO2 nanohybrid-encapsulated MONPs (PEOMSNs). The PEOMSNs are not susceptible to Mn-ion leaching, and their biocompatibility is affirmed by a low toxicity profile. Moreover, these hybrid nanocapsules exhibit a nano-rattle structure, which would favor the facile loading of various therapeutic reagents for theranostic applications.To properly engineer MnO nanoparticles (MONPs) of high r1 relaxivity, a nanohybrid coating consisting of silica and F127 (PEO106PPO70PEO106) is designed to encapsulate MONPs. Achieved by an interfacial templating scheme, the nanohybrid encapsulating layer is highly permeable and hydrophilic to allow for an optimal access of water molecules to the encapsulated manganese oxide core. Hence, the efficacy of MONPs as MRI contrast agents is significantly improved, as demonstrated by an enhancement of the MR signal measured with a pre-clinical 7.0 T MRI scanner. The nanohybrid encapsulation strategy also confers high colloidal stability to the hydrophobic MONPs by the surface decoration of PEO chains and a small overall diameter (<100 nm) of the PEO-SiO2 nanohybrid-encapsulated MONPs (PEOMSNs). The PEOMSNs are not susceptible to Mn-ion leaching, and their biocompatibility is affirmed by a low toxicity profile

  5. Development of qualitative and quantitative analysis methods in pharmaceutical application with new selective signal excitation methods for 13 C solid-state nuclear magnetic resonance using 1 H T1rho relaxation time.

    PubMed

    Nasu, Mamiko; Nemoto, Takayuki; Mimura, Hisashi; Sako, Kazuhiro

    2013-01-01

    Most pharmaceutical drug substances and excipients in formulations exist in a crystalline or amorphous form, and an understanding of their state during manufacture and storage is critically important, particularly in formulated products. Carbon 13 solid-state nuclear magnetic resonance (NMR) spectroscopy is useful for studying the chemical and physical state of pharmaceutical solids in a formulated product. We developed two new selective signal excitation methods in (13) C solid-state NMR to extract the spectrum of a target component from such a mixture. These methods were based on equalization of the proton relaxation time in a single domain via rapid intraproton spin diffusion and the difference in proton spin-lattice relaxation time in the rotating frame ((1) H T1rho) of individual components in the mixture. Introduction of simple pulse sequences to one-dimensional experiments reduced data acquisition time and increased flexibility. We then demonstrated these methods in a commercially available drug and in a mixture of two saccharides, in which the (13) C signals of the target components were selectively excited, and showed them to be applicable to the quantitative analysis of individual components in solid mixtures, such as formulated products, polymorphic mixtures, or mixtures of crystalline and amorphous phases. PMID:23147444

  6. Nuclear magnetic resonance study of potassium dihydrophosphate

    NASA Astrophysics Data System (ADS)

    Uskova, N. I.; Podorozhkin, D. Yu.; Charnaya, E. V.; Nefedov, D. Yu.; Baryshnikov, S. V.; Bugaev, A. S.; Lee, M. K.; Chang, L. J.

    2016-04-01

    A powder sample of potassium dihydrophosphate KH2PO4 has been studied by the 31P NMR method in a wide temperature range covering the ferroelectric phase transition. Changes in the position and shape of the resonance line at the transition to the ferroelectric phase have been revealed. The parameters of the chemical shift tensor of 31P (isotropic shift, anisotropy, and asymmetry) in the ferroelectric phase have been calculated from the experimental data. A sharp increase in the anisotropy of the tensor at the phase transition has been demonstrated. Dielectric measurements have also been carried out to verify the transition temperature.

  7. Relaxation of the V = 4,5,6,7, Sigma g/+/ vibrational levels of carbon monoxide studied by laser absorption.

    NASA Technical Reports Server (NTRS)

    Chackerian, C., Jr.; Weisbach, M. F.

    1973-01-01

    The vibrational relaxation of individual vibration rotation levels of carbon monoxide behind incident shock waves of carbon monoxide has been studied by the method of laser absorption. For the particular vibrational states (V = 4 to 7) and temperature range (2500 to 5500 K) studied, it is concluded that the characteristic relaxation times are in excellent agreement with those obtained via previous measurements of 'bulk' gas properties. Further, the data furnish strong corroboration of the idea that the individual levels are in Boltzmann vibrational equilibrium during the relaxation process.

  8. Study of the effects of hydroxyapatite nanocrystal codoping by pulsed electron paramagnetic resonance methods

    NASA Astrophysics Data System (ADS)

    Gafurov, M. R.; Biktagirov, T. B.; Mamin, G. V.; Shurtakova, D. V.; Klimashina, E. S.; Putlyaev, V. I.; Orlinskii, S. B.

    2016-03-01

    The effect of codoping of hydroxyapatite (HAP) nanocrystals with average sizes of 35 ± 15 nm during "wet" synthesis by CO 3 2- carbonate anions and Mn2+ cations on relaxation characteristics (for the times of electron spin-spin relaxation) of the NO 3 2- nitrate radical anion has been studied. By the example of HAP, it has been demonstrated that the electron paramagnetic resonance (EPR) is an efficient method for studying anion-cation (co)doping of nanoscale particles. It has been shown experimentally and by quantummechanical calculations that simultaneous introduction of several ions can be energetically more favorable than their separate inclusion. Possible codoping models have been proposed, and their energy parameters have been calculated.

  9. Magnetic resonance characterization of tissue engineered cartilage via changes in relaxation times, diffusion coefficient, and shear modulus.

    PubMed

    Yin, Ziying

    2014-01-01

    The primary goal of this paper is to describe a combined MR relaxation (T(2) and T(1ρ)), diffusion (apparent diffusion coefficient [ADC]), and elastography (shear stiffness) method of fully characterizing the development of tissue-engineered cartilage in terms of the changes in its composition, structure, and mechanical properties during tissue growth. Then, we may better use MR-based methodologies to noninvasively monitor and optimize the cartilage tissue engineering process without sacrificing the constructs. This process begins by demonstrating the potential capability of T(2), T(1ρ), ADC, and shear stiffness in characterizing a scaffold-free engineered cartilage. The results show that, in addition to the conventional T(2) and ADC, T(1ρ) and MRE can be used as potential biomarkers to assess the specific changes in proteoglycan content and mechanical properties of engineered cartilage during culture. Moreover, to increase the efficiency of MR characterization, two new methodologies for simultaneous acquisition of diffusion and MRE (dMRE), and T(1ρ) and MRE (T(1ρ)-MRE) are introduced that allow the simultaneous characterization of both biochemical and mechanical properties of engineered cartilage tissue. The feasibilities of dMRE and T(1ρ)-MRE approaches are validated on tissue-mimicking phantoms. The results show good correspondence between simultaneous acquisitions and conventional separate acquisition methods. PMID:25403876

  10. Magnetic anisotropy and relaxation of single Fe/FexOy core/shell- nanocubes: A ferromagnetic resonance investigation

    NASA Astrophysics Data System (ADS)

    Terwey, Alexandra; Meckenstock, Ralf; Zingsem, Benjamin W.; Masur, Sabrina; Derricks, Christian; Römer, Florian M.; Farle, Michael

    2016-05-01

    In this work a full angle dependent Ferromagnetic Resonance (FMR) investigation on a system of 20 separated Fe/FexOy nanocubes without dipolar coupling is reported. The angular magnetic field dependence of FMR spectra of 20 single particles and 2 dimers were recorded using a microresonator setup with a sensitivity of 106 μB at X-band frequencies. We determine an effective magnetocrystalline anisotropy field of 2K4,eff/M = 50 mT ± 5 mT for selected particles, which is smaller than the one of bulk Fe due to the core shell morphology of the particles. The FMR resonances have a linewidth of 4 mT ± 1 mT, corresponding to a magnetic effective damping parameter α = 0.0045 ± 0.0005 matching the values of high quality iron thin films. Numerical calculations taking into account the different angular orientations of the 24 particles with respect to the external magnetic field yield a good agreement to the experiment.

  11. YTTRIUM-89 NMR: A POSSIBLE SPIN RELAXATION PROBE FOR STUDYING METAL ION INTERACTIONS WITH ORGANIC LIGANDS

    EPA Science Inventory

    The spin-lattice relaxation mechanisms for aqueous and dimethyl sulfoxide solutions of Y(NO3)3 have been found to be mainly spin-rotation and dipolar relaxation with solvent protons, unlike most heavy spin=1/2 metal ions which are relaxed mainly by spin-rotation and chemical shif...

  12. Evaluating the uncertainty in exchange parameters determined from off-resonance R1ρ relaxation dispersion for systems in fast exchange

    NASA Astrophysics Data System (ADS)

    Bothe, Jameson R.; Stein, Zachary W.; Al-Hashimi, Hashim M.

    2014-07-01

    Spin relaxation in the rotating frame (R1ρ) is a powerful NMR technique for characterizing fast microsecond timescale exchange processes directed toward short-lived excited states in biomolecules. At the limit of fast exchange, only kex = k1 + k-1 and Φex = pGpE(Δω)2 can be determined from R1ρ data limiting the ability to characterize the structure and energetics of the excited state conformation. Here, we use simulations to examine the uncertainty with which exchange parameters can be determined for two state systems in intermediate-to-fast exchange using off-resonance R1ρ relaxation dispersion. R1ρ data computed by solving the Bloch-McConnell equations reveals small but significant asymmetry with respect to offset (R1ρ (ΔΩ) ≠ R1ρ (-ΔΩ), which is a hallmark of slow-to-intermediate exchange, even under conditions of fast exchange for free precession chemical exchange line broadening (kex/Δω > 10). A grid search analysis combined with bootstrap and Monte-Carlo based statistical approaches for estimating uncertainty in exchange parameters reveals that both the sign and magnitude of Δω can be determined at a useful level of uncertainty for systems in fast exchange (kex/Δω < 10) but that this depends on the uncertainty in the R1ρ data and requires a thorough examination of the multidimensional variation of χ2 as a function of exchange parameters. Results from simulations are complemented by analysis of experimental R1ρ data measured in three nucleic acid systems with exchange processes occurring on the slow (kex/Δω = 0.2; pE = ∼0.7%), fast (kex/Δω = ∼10-16; pE = ∼13%) and very fast (kex = 39,000 s-1) chemical shift timescales.

  13. Study on load relaxation based on hot bending and sizing of Ti6Al4V alloy sheet

    NASA Astrophysics Data System (ADS)

    Po, Liu; Yingying, Zong; Debin, Shan; Bin, Guo

    2013-05-01

    The mechanism of hot sizing following sheet thermal forming of titanium alloy is considered as stress relaxation based on creep flow. A certain amount of internal stress in sheet metal parts can be relaxed during hot-sizing stage and hence the springback can be markedly reduced. Hot v-bending of Ti6Al4V sheet were carried out to study the behavior of load relaxation and springback in specimens after hot sizing, also known as shape retention. Experimental results reveal that load relaxation occurs during hot sizing following sheet v-bending. Reduction of springback angle obtained using hot sizing is obviously larger than that obtained without hot sizing under the same thermal environment. During hot sizing, springback angle decreases with increase in temperature and time, respectively. Load relaxation behavior is affected by loading method, namely constant velocity and two step loading. The linear relation between creep rate and load relaxation rate was deduced in hot-sizing stage. The calculated ratio shows good agreement with experimental data obtained by two-step loading. V-bending and sizing together with appropriate loading method are demonstrated as a good approach for stress relaxation analysis.

  14. Comment on ``Study of dielectric relaxations of anhydrous trehalose and maltose glasses'' [J. Chem. Phys. 134, 014508 (2011)

    NASA Astrophysics Data System (ADS)

    Kaminski, K.; Wlodarczyk, P.; Paluch, M.

    2011-10-01

    Very recently Kwon et al. [H.-J. Kwon, J.-A. Seo, H. K. Kim, and Y. H. Hwang, J. Chem. Phys. 134, 014508 (2011)] published an article on the study of dielectric relaxation in trehalose and maltose glasses. They carried out broadband dielectric measurements at very wide range of temperatures covering supercooled liquid as well as glassy state of both saccharides. It is worth to mention that authors have also applied a new method for obtaining anhydrous glasses of trehalose and maltose that enables avoiding their caramelization. Four relaxation processes were identified in dielectric spectra of both saccharides. The slower one was identified as structural relaxation process the next one, not observed by the others, was assigned as Johari-Goldstein (JG) β-relaxation, while the last two secondary modes were of the same nature as found by Kaminski et al. [K. Kaminski, E. Kaminska, P. Wlodarczyk, S. Pawlus, D. Kimla, A. Kasprzycka, M. Paluch, J. Ziolo, W. Szeja, and K. L. Ngai, J. Phys. Chem. B 112, 12816 (2008)]. In this comment we show that the authors mistakenly assigned the slowest relaxation process as structural mode of disaccharides. We have proven that this relaxation process is an effect of formation of thin layer of air or water between plate of capacitor and sample. The same effect can be observed if plates of capacitor are oxidized. Thus, we concluded that their slowest mode is connected to the dc conduction process while their β JG process is primary relaxation of trehalose and maltose.

  15. Photoacoustic study of relaxation dynamics in multibubble systems in laser-superheated water

    NASA Astrophysics Data System (ADS)

    Kudryashov, Sergey I.; Lyon, Kevin; Allen, Susan D.

    2006-05-01

    Microsecond relaxation dynamics in a cavitating surface layer of bulk water superheated by a TEA CO2 laser was studied using contact broadband photoacoustic spectroscopy. Damped nanosecond and microsecond oscillatory pressure-tension cycles recorded by an acoustic transducer are related to oscillations of steam bubbles of different sizes exhibiting strong dissipative losses and collective (coalescence and percolation) phenomena. These measurements also give important insight into basic parameters, characteristic spatial and temporal scales, and the mechanism of laser ablation of absorbing liquids in the thermal confinement regime.

  16. Solution deuterium NMR quadrupolar relaxation study of heme mobility in myoglobin

    SciTech Connect

    Johnson, R.D.; La Mar, G.N.; Smith, K.M.; Parish, D.W.; Langry, K.C. )

    1989-01-18

    NMR spectroscopy has been used to monitor the quadrupolar relaxation and motional dynamics of {sup 2}H selectively incorporated into skeletal and side chain positions of the heme in sperm whale myoglobin. The hyperfine shifts of the heme resonances in paramagnetic states of myoglobin allow resolution of the signals of interest, and paramagnetic contributions to the observed line widths are shown to be insignificant. The {sup 2}H line widths for the skeletal positions of deuterohemin-reconstituted myoglobin yield a correlation time identical with that of overall protein tumbling (9 ns at 30{degree}C) and hence reflect an immobile heme group. The {sup 2}H NMR line widths of heme methyl groups exhibit motional narrowing indicative of very rapid internal rotation. Hence the methyl rotation is effectively decoupled from the overall protein tumbling, and the residual quadrupolar line width can be used directly to determine the protein tumbling rate. The {sup 2}H NMR lines from heme vinyl groups were found narrower than those from the heme skeleton. However, the range of quadrupolar coupling constants for sp{sup 2} hybridized C-{sup 2}H bonds does not permit an unequivocal interpretation in terms of mobility. 48 refs., 4 figs.

  17. Radiation belts study in RESONANCE project

    NASA Astrophysics Data System (ADS)

    Mogilevsky, Mikhail; Demekhov, Andrei; Zelenyi, Lev; Petrukovich, Anatoly; Shklyar, David

    The Earth’s inner magnetosphere is an important part of space weather framework. Outer radiation belt is a home for numerous communication and navigation satellites. But besides this practical problem, this region is a theoretical nugget. Hot magnetospheric, cold plas¬mospheric, and, in contrast, high energy plasma coexist here. Such non-equilibrium state of plasma is glued by various plasma oscillations actively interacting with particles and resulting, in particular, in spatial and velocity diffusion. Diffusion influences acceleration and precipitation of particles and defines their life¬time in the Earth’s magnetosphere. The project RESONANCE is aimed to study the whole complex of these issues, both practical (space weather), and fundamental (nonlinear plasma dynamics). The project RESONANCE is a part of the Russian Federal State Program. Lavochkin Association is responsi¬ble for preparation and testing of the satellites. Space Research Institute of the Russian Academy of Sciences is a leading scientific organization. Besides Russian scientists, specialists from Austria, Bulgaria, Czech Re¬public, Finland, France, Germany, Greece, Poland, Slovakia, Ukraine, USA take part.

  18. [Muscle relaxants in the morphometric study of the respiratory muscles in human beings].

    PubMed

    Aguar, M C; Gea, J; Orozco-Levi, M; Corominas, J; Pastó, M; Broquetas, J M

    1995-10-01

    The morphological examination of respiratory muscle can be affected by muscular contraction following biopsy. Most morphometric studies of respiratory muscles, however, have been carried out without taking into account this factor, the effect of which can be reduced by using relaxants when taking samples. Objective. To examine the effect of using a relaxant in the morphometric analysis of muscle fibers. We examined 31 muscle samples from 7 patients. Immediately after removal, each pipe was divided in half. One was placed in an isotonic physiological solution and the other in a solution of curare 0.02%. Later, both samples were processed for morphometric study with ATP-ase, NADTH and PAS tincture. Morphological data recorded for the different types of fibers included measurement of minimum diameter (Dmin), atrophy and hypertrophy indices (AI and HI) and heterogeneity of distribution (SDDmin). The Dmin was smaller in fibers transported in a curare solution than in those transported in physiological solution (67 +/- 2 microns vs. 71 +/- microns, p < 0.05). The same was true of SDDmin (13 +/- 3 vs. 12 +/- 3, p < 0.05), HI (300 +/- 88 vs. 457 +/- 107, p < 0.05). Likewise, we found a similar direct correlation between size of fibers processed with physiological solution and those processed in curare (Dmin, r = 0.731, p < 0.001; HI, r = 0.827, p < 0.001; SDDmin, r = 0.636, p < 0.0001). The use of relaxants in processing muscle samples prevents contraction and should be used systematically in the morphological analysis of muscle fibers.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7582429

  19. Main chain and side chain dynamics of a heme protein: 15N and 2H NMR relaxation studies of R. capsulatus ferrocytochrome c2.

    PubMed

    Flynn, P F; Bieber Urbauer, R J; Zhang, H; Lee, A L; Wand, A J

    2001-06-01

    A detailed characterization of the main chain and side chain dynamics in R. capsulatus ferrocytochrome c(2) derived from (2)H NMR relaxation of methyl group resonances is presented. (15)N relaxation measurements confirm earlier results indicating that R. capsulatus ferrocytochrome c(2) exhibits minor rotational anisotropy in solution. The current study is focused on the use of deuterium relaxation in side chain methyl groups, which has been shown to provide a detailed and accurate measure of internal dynamics. Results obtained indicate that the side chains of ferrocytochrome c(2) exhibit a wide range of motional amplitudes, but are more rigid than generally found in the interior of nonprosthetic group bearing globular proteins. This unusual rigidity is ascribed to the interactions of the protein with the large heme prosthetic group. This observation has significant implications for the potential of the heme-protein interface to modulate the redox properties of the protein and also points to the need for great precision in the design and engineering of heme proteins. PMID:11380250

  20. Systematic Study of the Pygmy Dipole Resonance

    NASA Astrophysics Data System (ADS)

    Derya, V.; Endres, J.; Harakeh, M. N.; Savran, D.; Wörtche, H. J.; Zilges, A.

    2012-05-01

    In recent years, a systematic comparative study of the pygmy dipole resonance (PDR) using the (γ,γ') and the (α,α'γ) reactions on the nuclei 140Ce, 138Ba, 124Sn, 94Mo, and 48Ca was performed. The aim of this systematic study is to explore the structure of the PDR by the usage of two complementary probes and several different nuclei. The real-photon scattering experiments were performed at the S-DALINAC in Darmstadt, Germany, while the (α, α'γ) coincidence experiments were performed at the Big-Bite Spectrometer (BBS) at KVI in Groningen, The Netherlands. The comparison of the results from both kinds of experiments showed an energetic splitting of the PDR into two parts that might be due to the different isospin character of these states. First experimental results of the (α, α'γ) experiments on the nuclei 94Mo and 48Ca will be presented.

  1. The effect of mannitol on intraoperative brain relaxation in patients undergoing supratentorial tumor surgery: study protocol for a randomized controlled trial

    PubMed Central

    2014-01-01

    Background The risk of brain swelling after dural opening is high in patients with midline shift undergoing supratentorial tumor surgery. Brain swelling may result in increased intracranial pressure, impeded tumor exposure, and adverse outcomes. Mannitol is recommended as a first-line dehydration treatment to reduce brain edema and enable brain relaxation during neurosurgery. Research has indicated that mannitol enhanced brain relaxation in patients undergoing supratentorial tumor surgery; however, these results need further confirmation, and the optimal mannitol dose has not yet been established. We propose to examine whether different doses of 20% mannitol improve brain relaxation in a dose-dependent manner when administered at the time of incision. We will examine patients with preexisting mass effects and midline shift undergoing elective supratentorial brain tumor surgery. Methods This is a single-center, randomized controlled, parallel group trial that will be carried out at Beijing Tiantan Hospital, Capital Medical University. Randomization will be achieved using a computer-generated table. The study will include 220 patients undergoing supratentorial tumor surgery whose preoperative computed tomography/magnetic resonance imaging results indicate a brain midline shift. Patients in group A, group B, and group C will receive dehydration treatment at incision with 20% mannitol solutions of 0.7, 1.0, and 1.4 g/kg, respectively, at a rate of 600 mL/h. The patients in the control group will not receive mannitol. The primary outcome is an improvement in intraoperative brain relaxation and dura tension after dehydration with mannitol. Secondary outcomes are postoperative outcomes and the incidence of mannitol side effects. Discussion The aim of this study is to determine the optimal dose of 20% mannitol for intraoperative infusion. We will examine brain relaxation and outcome in patients undergoing supratentorial tumor surgery. If our results are positive, the study

  2. Novel nuclear magnetic resonance techniques for studying biological molecules

    SciTech Connect

    Laws, David D.

    2000-06-01

    Over the fifty-five year history of Nuclear Magnetic Resonance (NMR), considerable progress has been made in the development of techniques for studying the structure, function, and dynamics of biological molecules. The majority of this research has involved the development of multi-dimensional NMR experiments for studying molecules in solution, although in recent years a number of groups have begun to explore NMR methods for studying biological systems in the solid-state. Despite this new effort, a need still exists for the development of techniques that improve sensitivity, maximize information, and take advantage of all the NMR interactions available in biological molecules. In this dissertation, a variety of novel NMR techniques for studying biomolecules are discussed. A method for determining backbone ({phi}/{psi}) dihedral angles by comparing experimentally determined {sup 13}C{sub a}, chemical-shift anisotropies with theoretical calculations is presented, along with a brief description of the theory behind chemical-shift computation in proteins and peptides. The utility of the Spin-Polarization Induced Nuclear Overhauser Effect (SPINOE) to selectively enhance NMR signals in solution is examined in a variety of systems, as are methods for extracting structural information from cross-relaxation rates that can be measured in SPINOE experiments. Techniques for the production of supercritical and liquid laser-polarized xenon are discussed, as well as the prospects for using optically pumped xenon as a polarizing solvent. In addition, a detailed study of the structure of PrP 89-143 is presented. PrP 89-143 is a 54 residue fragment of the prion proteins which, upon mutation and aggregation, can induce prion diseases in transgenic mice. Whereas the structure of the wild-type PrP 89-143 is a generally unstructured mixture of {alpha}-helical and {beta}-sheet conformers in the solid state, the aggregates formed from the PrP 89-143 mutants appear to be mostly {beta}-sheet.

  3. Studies of structural, optical, dielectric relaxation and ac conductivity of different alkylbenzenesulfonic acids doped polypyrrole nanofibers

    NASA Astrophysics Data System (ADS)

    Hazarika, J.; Kumar, A.

    2016-01-01

    Polypyrrole (PPy) nanofibers doped with alkylbenzenesulfonic acids (ABSA) have been synthesized using interfacial polymerization method. HRTEM studies confirm the formation of PPy nanofibers with average diameter ranging from 13 nm to 25 nm. Broad X-ray diffraction peak in 2 θ range 20-23.46° reveals amorphous structure of PPy nanofibers. The ordering or crystallinity of polymer chains increases, while their interplanar spacing (d) and interchain separation (R) decreases for short alkyl chain ABSA doped PPy nanofibers. FTIR studies reveal that short alkyl chain ABSA doped PPy nanofibers show higher value of "effective conjugation length". PPy nanofibers doped with short alkyl chain ABSA dopant exhibit smaller optical band gap. TGA studies show enhanced thermal stability of short alkyl chain ABSA doped PPy nanofibers. Decrease in dielectric permittivity ε ‧ (ω) with increasing frequency suggests presence of electrode polarization effects. Linear decrease in dielectric loss ε ″ (ω) with increasing frequency suggests dominant effect of dc conductivity process. Low value of non-exponential exponent β (<1) reveals non-Debye relaxation of charge carriers. Scaling of imaginary modulus (M ″) reveals that the charge carriers follow the same relaxation mechanism. Moreover, the charge carriers in PPy nanofibers follow the correlated barrier hopping (CBH) transport mechanism.

  4. Normal variation of magnetic resonance T1 relaxation times in the human population at 1.5 T using ShMOLLI

    PubMed Central

    2013-01-01

    Background Quantitative T1-mapping is rapidly becoming a clinical tool in cardiovascular magnetic resonance (CMR) to objectively distinguish normal from diseased myocardium. The usefulness of any quantitative technique to identify disease lies in its ability to detect significant differences from an established range of normal values. We aimed to assess the variability of myocardial T1 relaxation times in the normal human population estimated with recently proposed Shortened Modified Look-Locker Inversion recovery (ShMOLLI) T1 mapping technique. Methods A large cohort of healthy volunteers (n = 342, 50% females, age 11–69 years) from 3 clinical centres across two countries underwent CMR at 1.5T. Each examination provided a single average myocardial ShMOLLI T1 estimate using manually drawn myocardial contours on typically 3 short axis slices (average 3.4 ± 1.4), taking care not to include any blood pool in the myocardial contours. We established the normal reference range of myocardial and blood T1 values, and assessed the effect of potential confounding factors, including artefacts, partial volume, repeated measurements, age, gender, body size, hematocrit and heart rate. Results Native myocardial ShMOLLI T1 was 962 ± 25 ms. We identify the partial volume as primary source of potential error in the analysis of respective T1 maps and use 1 pixel erosion to represent “midwall myocardial” T1, resulting in a 0.9% decrease to 953 ± 23 ms. Midwall myocardial ShMOLLI T1 was reproducible with an intra-individual, intra- and inter-scanner variability of ≤2%. The principle biological parameter influencing myocardial ShMOLLI T1 was the female gender, with female T1 longer by 24 ms up to the age of 45 years, after which there was no significant difference from males. After correction for age and gender dependencies, heart rate was the only other physiologic factor with a small effect on myocardial ShMOLLI T1 (6ms/10bpm). Left and right ventricular

  5. Magnetic Resonance Studies of Energy Storage Materials

    NASA Astrophysics Data System (ADS)

    Vazquez Reina, Rafael

    In today's society there is high demand to have access to energy for portable devices in different forms. Capacitors with high performance in small package to achieve high charge/discharge rates, and batteries with their ability to store electricity and make energy mobile are part of this demand. The types of internal dielectric material strongly affect the characteristics of a capacitor, and its applications. In a battery, the choice of the electrolyte plays an important role in the Solid Electrolyte Interphase (SEI) formation, and the cathode material for high output voltage. Electron Paramagnetic Resonance (EPR) and Nuclear Magnetic Resonance (NMR) spectroscopy are research techniques that exploit the magnetic properties of the electron and certain atomic nuclei to determine physical and chemical properties of the atoms or molecules in which they are contained. Both EPR and NMR spectroscopy technique can yield meaningful structural and dynamic information. Three different projects are discussed in this dissertation. First, High energy density capacitors where EPR measurements described herein provide an insight into structural and chemical differences in the dielectric material of a capacitor. Next, as the second project, Electrolyte solutions where an oxygen-17 NMR study has been employed to assess the degree of preferential solvation of Li+ ions in binary mixtures of EC (ethylene carbonate) and DMC (dimethyl carbonate) containing LiPF6 (lithium hexafluo-rophosphate) which may be ultimately related to the SEI formation mechanism. The third project was to study Bismuth fluoride as cathode material for rechargeable batteries. The objective was to study 19F and 7Li MAS NMR of some nanocomposite cathode materials as a conversion reaction occurring during lithiation and delithation of the BiF3/C nanocomposite.

  6. State of water in perfluorosulfonic acid membranes studied by microwave dielectric relaxation spectroscopy

    NASA Astrophysics Data System (ADS)

    Lu, Zijie

    The physical state of water in perfluosulfonic acid membranes (e.g., Nafion 117 and Flemion SH150) has been studied by the water sorption isotherms, DSC, 2H NMR, and microwave dielectric relaxation spectroscopy. Different water states have been discriminated in these membranes: (1) the first few water molecules upon absorption from water vapor (lambda ˜ 3, where lambda denotes the number of water molecules per sulfonic acid group) are tightly bound to the sulfonic acid group to form the first hydration water; (2) beyond this water content, water molecules form the second hydration layer of the sulfonic acid group. The amount of this water increases with water content, but reaches a constant value at higher water contents. The microwave DRS measurements showed a relaxation time of about 30 ps for this type of water; (3) the free water, locating at the center of the ion cluster regions where the ion-water interaction is negligible, is present when lambda ≥ 6. The free water, with relaxation time tau ≈ 8 ps at 25°C, shows the characteristic dynamics of bulk water; and (4) finally, as water content increases further, water molecules start to be associated with the perfluorinated side chains and even with the fluorocarbon backbone. A much longer relaxation time, tau ≈ 90 ps, is observed for this part of water due to the hydrophobic confinement by the polymer. Microwave DRS measurements showed markedly different dynamics, i.e., negligible activation enthalpy and large negative activation entropy, for the dielectric relaxation of this type of water. The presence of the hydrophobically confined water is found to correspond to the clustering of water and to the appearance of the freezing water in these membranes. The equivalent weight (EW) of the PSA membrane has been found to have considerable influence on the dielectric response of the membranes. Flemion SH150, which has an EW value of 909, shows higher static permittivity than Nafion 117, which has an EW of 1100

  7. Study of pulsed electron cyclotron resonance ion source plasma near breakdown: The preglow

    SciTech Connect

    Thuillier, T.; Lamy, T.; Latrasse, L.; Izotov, I. V.; Sidorov, A. V.; Skalyga, V. A.; Zorin, V. G.; Marie-Jeanne, M.

    2008-02-15

    A careful study of pulsed mode operation of the PHOENIX electron cyclotron resonance (ECR) ion source has clearly demonstrated the reality of an unexpected transient current peak, occurring at the very beginning of the plasma breakdown. This regime was named the preglow, as an explicit reference to the afterglow occurring at the microwave pulse end. After the transient preglow peak, the plasma regime relaxes to the classical steady state one. Argon preglow experiments performed at LPSC are presented. A theoretical model of ECR gas breakdown in a magnetic trap, developed at IAP, showing satisfactory agreement with the experimental results is suggested.

  8. 1H nuclear magnetic resonance study of distinct interstitial hydrogen dynamics in ZnO

    NASA Astrophysics Data System (ADS)

    Kue Park, Jun; Won Lee, Kyu; Eui Lee, Cheol

    2013-07-01

    A comprehensive 1H nuclear magnetic resonance (NMR) study has been carried out for hydrogen dynamics in a sol-gel-prepared ZnO system. The temperature-dependent linewidth and chemical shift measurements sensitively reflected the proton motions and changes in the local environment. Besides, two types of interstitial proton (Hi+) motions were distinguished from the spin-spin relaxation time measurements, one of them with an activation energy of 0.16 eV and the other with that of 0.33 eV depending on the temperature ranges.

  9. (13)C-(1)H NMR relaxation and fluorescence anisotropy decay study of tyrosine dynamics in motilin.

    PubMed Central

    Damberg, Peter; Jarvet, Jüri; Allard, Peter; Mets, Ulo; Rigler, Rudolf; Gräslund, Astrid

    2002-01-01

    Tyrosine ring dynamics of the gastrointestinal hormone motilin was studied using two independent physical methods: fluorescence polarization anisotropy decay and NMR relaxation. Motilin, a 22-residue peptide, was selectively (13)C labeled in the ring epsilon-carbons of the single tyrosine residue. To eliminate effects of differences in peptide concentration, the same motilin sample was used in both experiments. NMR relaxation rates of the tyrosine ring C(epsilon)-H(epsilon) vectors, measured at four magnetic field strengths (9.4, 11.7, 14.1, and 18.8 Tesla) were used to map the spectral density function. When the data were analyzed using dynamic models with the same number of components, the dynamic parameters from NMR and fluorescence are in excellent agreement. However, the estimated rotational correlation times depend on the choice of dynamic model. The correlation times estimated from the two-component model-free approach and the three-component models were significantly different (1.7 ns and 2.2 ns, respectively). Various earlier studies of protein dynamics by NMR and fluorescence were compared. The rotational correlation times estimated by NMR for samples with high protein concentration were on average 18% longer for folded monomeric proteins than the corresponding times estimated by fluorescence polarization anisotropy decay, after correction for differences in viscosity due to temperature and D(2)O/H(2)O ratio. PMID:12414713

  10. Understanding long-time vacancy aggregation in iron: A kinetic activation-relaxation technique study

    NASA Astrophysics Data System (ADS)

    Brommer, Peter; Béland, Laurent Karim; Joly, Jean-François; Mousseau, Normand

    2014-10-01

    Vacancy diffusion and clustering processes in body-centered-cubic (bcc) Fe are studied using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities. For monovacancies and divacancies, k-ART recovers previously published results while clustering in a 50-vacancy simulation box agrees with experimental estimates. Applying k-ART to the study of clustering pathways for systems containing from one to six vacancies, we find a rich set of diffusion mechanisms. In particular, we show that the path followed to reach a hexavacancy cluster influences greatly the associated mean-square displacement. Aggregation in a 50-vacancy box also shows a notable dispersion in relaxation time associated with effective barriers varying from 0.84 to 1.1 eV depending on the exact pathway selected. We isolate the effects of long-range elastic interactions between defects by comparing to simulations where those effects are deliberately suppressed. This allows us to demonstrate that in bcc Fe, suppressing long-range interactions mainly influences kinetics in the first 0.3 ms, slowing down quick energy release cascades seen more frequently in full simulations, whereas long-term behavior and final state are not significantly affected.