The Importance of Protein-Protein Interactions on the pH-Induced Conformational Changes of Bovine Serum Albumin: A Small-Angle X-Ray Scattering Study

The combined effects of concentration and pH on the conformational states of bovine serum albumin (BSA) are investigated by small-angle x-ray scattering. Serum albumins, at physiological conditions, are found at concentrations of similar to 35-45 mg/mL (42 mg/mL in the case of humans). In this work, BSA at three different concentrations (10, 25, and 50 mg/mL) and pH values (2.0-9.0) have been studied. Data were analyzed by means of the Global Fitting procedure, with the protein form factor calculated from human serum albumin (HSA) crystallographic structure and the interference function described, considering repulsive and attractive interaction potentials within a random phase approximation. Small-angle x-ray scattering data show that BSA maintains its native state from pH 4.0 up to 9.0 at all investigated concentrations. A pH-dependence of the absolute net protein charge is shown and the charge number per BSA is quantified to 10(2), 8(l), 13(2), 20(2), and 26(2) for pH values 4.0, 5.4, 7.0, 8.0, and 9.0, respectively. The attractive potential diminishes as BSA concentration increases. The coexistence of monomers and dimers is observed at 50 mg/mL and pH 5.4, near the BSA isoelectric point. Samples at pH 2.0 show a different behavior, because BSA overall shape changes as a function of concentration. At 10 mg/mL, BSA is partially unfolded and a strong repulsive protein-protein interaction occurs due to the high amount of exposed charge. At 25 and 50 mg/mL, BSA undergoes some refolding, which likely results in a molten-globule state. This work concludes by confirming that the protein concentration plays an important role on the pH-unfolded BSA state, due to a delicate compromise between interaction forces and crowding effects.

Gluon-Spin Contribution to the Proton Spin from the Double-Helicity Asymmetry in Inclusive pi(0) Production in Polarized p plus p Collisions at root s=200 GeV

The double helicity asymmetry in neutral pion production for p(T) = 1 to 12 GeV/c was measured with the PHENIX experiment to access the gluon-spin contribution, Delta G, to the proton spin. Measured asymmetries are consistent with zero, and at a theory scale of mu 2 = 4 GeV(2) a next to leading order QCD analysis gives Delta G([0.02,0.3]) = 0.2, with a constraint of -0.7 < Delta G([0.02,0.3]) < 0.5 at Delta chi(2) = 9 (similar to 3 sigma) for the sampled gluon momentum fraction (x) range, 0.02 to 0.3. The results are obtained using predictions for the measured asymmetries generated from four representative fits to polarized deep inelastic scattering data. We also consider the dependence of the Delta G constraint on the choice of the theoretical scale, a dominant uncertainty in these predictions.

Event structure and double helicity asymmetry in jet production from polarized p plus p collisions at root s=200 GeV

We report on the event structure and double helicity asymmetry (A(LL)) of jet production in longitudinally polarized p + p collisions at root s = 200 GeV. Photons and charged particles were measured by the PHENIX experiment at midrapidity vertical bar eta vertical bar < 0.35 with the requirement of a high-momentum (> 2 GeV/c) photon in the event. Event structure, such as multiplicity, p(T) density and thrust in the PHENIX acceptance, were measured and compared with the results from the PYTHIA event generator and the GEANT detector simulation. The shape of jets and the underlying event were well reproduced at this collision energy. For the measurement of jet A(LL), photons and charged particles were clustered with a seed-cone algorithm to obtain the cluster pT sum (p(T)(reco)). The effect of detector response and the underlying events on p(T)(reco) was evaluated with the simulation. The production rate of reconstructed jets is satisfactorily reproduced with the next-to-leading-order and perturbative quantum chromodynamics jet production cross section. For 4< p(T)(reco) < 12 GeV/c with an average beam polarization of < P > = 49% we measured Lambda(LL) = -0.0014 +/- 0.0037(stat) at the lowest p(T)(reco) bin (4-5 GeV= c) and -0.0181 +/- 0.0282(stat) at the highest p(T)(reco) bin (10-12 GeV= c) with a beam polarization scale error of 9.4% and a pT scale error of 10%. Jets in the measured p(T)(reco) range arise primarily from hard-scattered gluons with momentum fraction 0: 02 < x < 0: 3 according to PYTHIA. The measured A(LL) is compared with predictions that assume various Delta G(x) distributions based on the Gluck-Reya-Stratmann-Vogelsang parameterization. The present result imposes the limit -a.1 < integral(0.3)(0.02) dx Delta G(x, mu(2) = GeV2) < 0.4 at 95% confidence level or integral(0.3)(0.002) dx Delta G(x, mu(2) = 1 GeV2) < 0.5 at 99% confidence level.

The isotropic nuclear magnetic shielding constants of acetone in supercritical water: A sequential Monte Carlo/quantum mechanics study including solute polarization

The nuclear isotropic shielding constants sigma((17)O) and sigma((13)C) of the carbonyl bond of acetone in water at supercritical (P=340.2 atm and T=673 K) and normal water conditions have been studied theoretically using Monte Carlo simulation and quantum mechanics calculations based on the B3LYP/6-311++G(2d,2p) method. Statistically uncorrelated configurations have been obtained from Monte Carlo simulations with unpolarized and in-solution polarized solute. The results show that solvent effects on the shielding constants have a significant contribution of the electrostatic interactions and that quantitative estimates for solvent shifts of shielding constants can be obtained modeling the water molecules by point charges (electrostatic embedding). In supercritical water, there is a decrease in the magnitude of sigma((13)C) but a sizable increase in the magnitude of sigma((17)O) when compared with the results obtained in normal water. It is found that the influence of the solute polarization is mild in the supercritical regime but it is particularly important for sigma((17)O) in normal water and its shielding effect reflects the increase in the average number of hydrogen bonds between acetone and water. Changing the solvent environment from normal to supercritical water condition, the B3LYP/6-311++G(2d,2p) calculations on the statistically uncorrelated configurations sampled from the Monte Carlo simulation give a (13)C chemical shift of 11.7 +/- 0.6 ppm for polarized acetone in good agreement with the experimentally inferred result of 9-11 ppm. (C) 2008 American Institute of Physics.

Cold nuclear matter effects on J/psi production as constrained by deuteron-gold measurements at root S(NN)=200 GeV

We present a new analysis of J/psi production yields in deuteron-gold collisions at root s(NN) =200 GeV using data taken from the PHENIX experiment in 2003 and previously published in S. S. Adler [Phys. Rev. Lett 96, 012304 (2006)]. The high statistics proton-proton J/psi data taken in 2005 are used to improve the baseline measurement and thus construct updated cold nuclear matter modification factors (R(dAu)). A suppression of J/psi in cold nuclear matter is observed as one goes forward in rapidity (in the deuteron-going direction), corresponding to a region more sensitive to initial-state low-x gluons in the gold nucleus. The measured nuclear modification factors are compared to theoretical calculations of nuclear shadowing to which a J/psi (or precursor) breakup cross section is added. Breakup cross sections of sigma(breakup)=2.8(-1.4)(+1.7) (2.2(-1.5)(+1.6)) mb are obtained by fitting these calculations to the data using two different models of nuclear shadowing. These breakup cross-section values are consistent within large uncertainties with the 4.2 +/- 0.5 mb determined at lower collision energies. Projecting this range of cold nuclear matter effects to copper-copper and gold-gold collisions reveals that the current constraints are not sufficient to firmly quantify the additional hot nuclear matter effect.

Continuum-continuum coupling and polarization potentials for weakly bound systems

We investigate the influence of couplings among continuum states in collisions of weakly bound nuclei. For this purpose, we compare cross sections for complete fusion, breakup, and elastic scattering evaluated by continuum discretized coupled channel (CDCC) calculations, including and not including these couplings. In our study, we discuss this influence in terms of the polarization potentials that reproduces the elastic wave function of the coupled channel method in single channel calculations. We find that the inclusion of couplings among continuum states renders the real part of the polarization potential more repulsive, whereas it leads to weaker absorption to the breakup channel. We show that the noninclusion of continuum-continuum couplings in CDCC calculations may lead to qualitative and quantitative wrong conclusions.

Jensen inequalities for tunneling probabilities in complex systems

The Jensen theorem is used to derive inequalities for semiclassical tunneling probabilities for systems involving several degrees of freedom. These Jensen inequalities are used to discuss several aspects of sub-barrier heavy-ion fusion reactions. The inequality hinges on general convexity properties of the tunneling coefficient calculated with the classical action in the classically forbidden region.

Semiclassical scattering in two dimensions

The semiclassical limit of quantum mechanical scattering in two dimensions is developed and the Wentzel-Kramers-Brillouin and eikonal results for two-dimensional scattering is derived. No backward or forward glory scattering is present in two dimensions. Other phenomena, such as rainbows and orbiting, do occur. (C) 2008 American Association of Physics Teachers.

Local approximations for polarization potentials

We discuss the derivation of an equivalent polarization potential independent of angular momentum l for use in the optical Schrodinger equation that describes the elastic scattering of heavy ions. Three different methods are used for this purpose. Application of our theory to the low energy scattering of light heavy-ion systems at near-barrier energies is made. It is found that the notion of an l-independent polarization potential has some validity but cannot be a good substitute for the l-dependent local equivalent Feshbach polarization potential.

Thermally activated intersubband scattering and oscillating magnetoresistance in quantum wells

Experimental studies of magnetoresistance in high-mobility wide quantum wells reveal oscillations which appear with an increase in temperature to 10 K and whose period is close to that of Shubnikov-de Haas oscillations. The observed phenomenon is identified as magnetointersubband oscillations caused by the scattering of electrons between two occupied subbands and the third subband which becomes occupied as a result of thermal activation. These small-period oscillations are less sensitive to thermal suppression than the large-period magnetointersubband oscillations caused by the scattering between the first and the second subbands. Theoretical study, based on consideration of electron scattering near the edge of the third subband, gives a reasonable explanation of our experimental findings.

Anomalous dephasing scattering rate of two-dimensional electrons in double quantum well structures

The results on the measurement of electrical conductivity and magnetoconductivity of a GaAs double quantum well between 0.5 and 1.1 K are reported. The zero magnetic-field conductivity is well described from the point of view of contributions made by both the weak localization and electron-electron interaction. At low field and low temperature, the magnetoconductivity is dominated by the weak localization effect only. Using the weak localization method, we have determined the electron dephasing times tau(phi) and tunneling times tau(t). Concerning tunneling, we concluded that tau(t) presents a minimum around the balance point; concerning dephasing, we observed an anomalous dependence on temperature and conductivity (or elastic mean free path) of tau(phi). This anomalous behavior cannot be explained in terms of the prevailing concepts for the electron-electron interaction in high-mobility two-dimensional electron systems.

alpha-particle production in (6)He+(120)Sn collisions

The collision (6)He+ (120)Sn has been investigated at four energies near the Coulomb barrier. A large yield of a particles has been detected, with energies around the energy of the scattered (6)He beam. The energy and angular distributions of the a particles have been analyzed and compared with breakup and neutron transfer calculations.

Long range rapidity correlations and jet production in high energy nuclear collisions

The STAR Collaboration at the Relativistic Heavy Ion Collider presents a systematic study of high-transverse-momentum charged-di-hadron correlations at small azimuthal pair separation Delta phi in d+Au and central Au+Au collisions at s(NN)=200 GeV. Significant correlated yield for pairs with large longitudinal separation Delta eta is observed in central Au+Au collisions, in contrast to d+Au collisions. The associated yield distribution in Delta eta x Delta phi can be decomposed into a narrow jet-like peak at small angular separation which has a similar shape to that found in d+Au collisions, and a component that is narrow in Delta phi and depends only weakly on Delta eta, the ""ridge."" Using two systematically independent determinations of the background normalization and shape, finite ridge yield is found to persist for trigger p(t)>6 GeV/c, indicating that it is correlated with jet production. The transverse-momentum spectrum of hadrons comprising the ridge is found to be similar to that of bulk particle production in the measured range (2 < p(t)< 4 GeV/c).

Elongated shape isomers in the (36)Ar nucleus

A recent analysis of the (12)C + (24)Mg scattering [W. Sciani et al., Phys. Rev. C 80, 034319 (2009)] suggests the existence of a hyperdeformed band in the (36)Ar nucleus, completely in line with the predictions of alpha [W. D. M. Rae and A. C. Merchant, Phys. Lett. B279, 207 (1992)] and binary cluster calculations [J. Cseh et al., Phys. Rev. C 70, 034311 (2004)]. Here we review the structural understanding of the superdeformed and the hyperdeformed states of (36)Ar and present new results on the shape isomers as well. Special attention is paid to the clusterization of these states, which indicates the appropriate reaction channels for their formation.

Reaction cross sections for (8)B, (7)Be, and (6)Li+(58)Ni near the Coulomb barrier: Proton-halo effects

Elastic scattering of (8)B, (7)Be, and (6)Li on a (58)Ni target has been measured at energies near the Coulomb barrier. Optical-model fits were made to the experimental angular distributions, and total reaction cross sections were deduced. A comparison with other systems provides striking evidence for proton-halo effects on (8)B reactions. As opposed to the situation for the neutron-halo nucleus (6)He, for which particle transfer dominates, the ""extra"" cross section observed for (8)B appears to result entirely from projectile breakup.