Insights into metal ion binding in phospholipases A(2): ultra high-resolution crystal structures of an acidic phospholipase A(2) in the Ca2+ free and bound states

The electrophile Ca2+ is an essential multifunctional co-factor in the phospholipase A(2) mediated hydrolysis of phospholipids. Crystal structures of an acidic phospholipase A(2) from the venom of Bothrops jararacussu have been determined both in the Ca2+ free and bound states at 0.97 and 1.60 angstrom resolutions, respectively. In the Ca2+ bound state, the Ca2+ ion is penta-coordinated by a distorted pyramidal cage of oxygen and nitrogen atoms that is significantly different to that observed in structures of other Group I/II phospholipases A(2). In the absence of Ca2+, a water molecule occupies the position of the Ca2+ ion and the side chain of Asp49 and the calcium-binding loop adopts a different conformation. (c) 2005 Elsevier SAS. All rights reserved.

Bound states of attractive Bose-Einstein condensates in shallow traps in two and three dimensions

Using variational and numerical solutions of the mean-field Gross-Pitaevskii equation for attractive interaction (with cubic or Kerr nonlinearity), we show that a stable bound state can appear in a Bose-Einstein condensate (BEC) in a localized exponentially screened radially symmetric harmonic potential well in two and three dimensions. We also consider an axially symmetric configuration with zero axial trap and a exponentially screened radial trap so that the resulting bound state can freely move along the axial direction like a soliton. The binding of the present states in shallow wells is mostly due to the nonlinear interaction with the trap playing a minor role. Hence, these BEC states are more suitable to study the effect of the nonlinear force on the dynamics. We illustrate the highly nonlinear nature of breathing oscillations of these states. Such bound states could be created in BECs and studied in the laboratory with present knowhow.

Positronium-hydrogen-atom scattering in a five-state model

The scattering of orthopositronium (Ps) by hydrogen atoms has been investigated in a five-state coupled-channel model allowing for Ps(1s)H(2s,2p) and Ps(2s,2p)H(1s) excitations using a recently proposed electron-exchange model potential. The higher (n greater than or equal to 3) excitations and ionization of the Ps atom are calculated using the first Born approximation. Calculations are reported of scattering lengths, phase shifts. elastic, Ps and H excitation, and total cross sections. Remarkable correlations are observed between the S-wave Ps-H binding energy and the singlet scattering length, effective range, and resonance energy obtained in various model calculations. These correlations suggest that if a Ps-H dynamical model yields the correct result for one of these four observables, it is expected to lead to the correct result for the other three. The present model, which is constructed so as to reproduce the Ps-H resonance at 4.01 eV, automatically yields a Ps-H bound state at - 1.05 eV that compares well with the accurate value of - 1.067 eV. The model leads to a singlet scattering length of 3.72a(0) and effective range of 1.67a(0), whereas the correlations suggest the precise values of 3.50a(0) and 1.65a(0) for these observables, respectively. [S1050-2947(99)07703-3].

Trajectory of virtual, bound and resonant Efimov states

The pole trajectory of Efimov states for a three-body alpha alpha beta system with alpha alpha unbound and alpha beta bound is calculated using a zero-range Dirac-delta potential. It is shown that a three-body bound state turns into a virtual one by increasing the alpha beta binding energy. This result is consistent with previous results for three equal mass particles. The present approach considers the n-n-(18)C halo nucleus. However, the results have good perspective to be tested and applied in ultracold atomic systems, where one can realize such three-body configuration with tunable two-body interaction.

Borromean three-body heteroatomic resonances

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Q-ANALOG REALIZATION OF NUCLEON PAIRING

A q-deformed analogue of zero-coupled nucleon pair states is constructed and the possibility of accounting for pairing correlations examined. For the single orbit case, the deformed pairs are found to be more strongly bound than the pairs with zero deformation, when a real-valued q parameter is used. It is found that an appropriately scaled deformation parameter reproduces the empirical few nucleon binding energies for nucleons in the 1f7/2 orbit and 1g9/2 orbit. The deformed pair Hamiltonian apparently accounts for many-body correlations, the strength of higher-order force terms being determined by the deformation parameter q. An extension to the multishell case, with deformed zero-coupled pairs distributed over several single particle orbits, has been realized. An analysis of calculated and experimental ground state energies and the energy spectra of three lowermost 0+ states, for even-A Ca isotopes, reveals that the deformation simulates the effective residual interaction to a large extent.

MODEL INDEPENDENCE OF SCATTERING OF 3 IDENTICAL BOSONS IN 2 DIMENSIONS

Within the framework of scattering integral equations in momentum space, we present numerical results of scattering of three identical bosons at low energies in two dimensions for short-range separable potentials. An analysis of the present numerical results reveals the three-particle scattering observables to be independent of potential shape provided the low-energy two-particle binding energy and scattering length are held fixed throughout the investigation. We think that the present conclusion of model independence will be valid for any potential, local or nonlocal, whose range is much smaller than the size of the two-particle bound state.

Absence of Cooper-type bound states in three- and few-electron systems

It is shown that the appearance of a fixed-point singularity in the kernel of the two-electron Cooper problem is responsible for the formation of the Cooper pair for an arbitrarily weak attractive interaction between two electrons. This singularity is absent in the problem of three and few superconducting electrons at zero temperature on the full Fermi sea. Consequently, such three- and few-electron systems on the full Fermi sea do not form Cooper-type bound states for an arbitrarily weak attractive pair interaction.

Universality in Four-Boson Systems

We report recent advances on the study of universal weakly bound four-boson states from the solutions of the Faddeev-Yakubovsky equations with zero-range two-body interactions. In particular, we present the correlation between the energies of successive tetramers between two neighbor Efimov trimers and compare it to recent finite range potential model calculations. We provide further results on the large momentum structure of the tetramer wave function, where the four-body scale, introduced in the regularization procedure of the bound state equations in momentum space, is clearly manifested. The results we are presenting confirm a previous conjecture on a four-body scaling behavior, which is independent of the three-body one. We show that the correlation between the positions of two successive resonant four-boson recombination peaks are consistent with recent data, as well as with recent calculations close to the unitary limit. Systematic deviations suggest the relevance of range corrections. © 2012 Springer-Verlag.

Scattering and bound states of fermions in a mixed vector-scalar smooth step potential

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Scattering and bound states of fermions in the modified Hulthen potential

In the present work the scattering of a fermion in the modified Hulthen potential is considered with a general vector and scalar and we solved the Dirac equation in the one-dimensional space. The transmission and reflection coefficients are reported. The bound-state solution is also given. The study shows the asymptotic behavior of the wave function in bound-state and scattering states solutions.

Optimized δ expansion for the Walecka model

The optimized δ-expansion is used to study vacuum polarization effects in the Walecka model. The optimized δ-expansion is a nonperturbative approach for field theoretic models which combines the techniques of perturbation theory and the variational principle. Vacuum effects on self-energies and the energy density of nuclear matter are studied up to script O sign(δ2). When exchange diagrams are neglected, the traditional relativistic Hartree approximation (RHA) results are exactly reproduced and, using the same set of parameters that saturate nuclear matter in the RHA, a new stable, tightly bound state at high density is found.

Estrutura de sistemas de três corpos fracamente ligados em duas dimensões

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Analytic perturbation theory for bound states in the transfer matrix spectrum of weakly correlated lattice ferromagnetic spin systems

We consider general d-dimensional lattice ferromagnetic spin systems with nearest neighbor interactions in the high temperature region ('beta' << 1). Each model is characterized by a single site apriori spin distribution taken to be even. We also take the parameter 'alfa' = ('S POT.4') - 3 '(S POT.2') POT.2' > 0, i.e. in the region which we call Gaussian subjugation, where ('S POT.K') denotes the kth moment of the apriori distribution. Associated with the model is a lattice quantum field theory known to contain a particle of asymptotic mass -ln 'beta' and a bound state below the two-particle threshold. We develop a 'beta' analytic perturbation theory for the binding energy of this bound state. As a key ingredient in obtaining our result we show that the Fourier transform of the two-point function is a meromorphic function, with a simple pole, in a suitable complex spectral parameter and the coefficients of its Laurent expansion are analytic in 'beta'.

Study of electromagnetic reactions on light nuclei with the Lorentz Integral Transform method

In dieser Arbeit aus dem Bereich der Wenig-Nukleonen-Physik wird die neu entwickelte Methode der Lorentz Integral Transformation (LIT) auf die Untersuchung von Kernphotoabsorption und Elektronenstreuung an leichten Kernen angewendet. Die LIT-Methode ermoeglicht exakte Rechnungen durchzufuehren, ohne explizite Bestimmung der Endzustaende im Kontinuum. Das Problem wird auf die Loesung einer bindungzustandsaehnlichen Gleichung reduziert, bei der die Endzustandswechselwirkung vollstaendig beruecksichtigt wird. Die Loesung der LIT-Gleichung wird mit Hilfe einer Entwicklung nach hypersphaerischen harmonischen Funktionen durchgefuehrt, deren Konvergenz durch Anwendung einer effektiven Wechselwirkung im Rahmem des hypersphaerischen Formalismus (EIHH) beschleunigt wird. In dieser Arbeit wird die erste mikroskopische Berechnung des totalen Wirkungsquerschnittes fuer Photoabsorption unterhalb der Pionproduktionsschwelle an 6Li, 6He und 7Li vorgestellt. Die Rechnungen werden mit zentralen semirealistischen NN-Wechselwirkungen durchgefuehrt, die die Tensor Kraft teilweise simulieren, da die Bindungsenergien von Deuteron und von Drei-Teilchen-Kernen richtig reproduziert werden. Der Wirkungsquerschnitt fur Photoabsorption an 6Li zeigt nur eine Dipol-Riesenresonanz, waehrend 6He zwei unterschiedliche Piks aufweist, die dem Aufbruch vom Halo und vom Alpha-Core entsprechen. Der Vergleich mit experimentellen Daten zeigt, dass die Addition einer P-Wellen-Wechselwirkung die Uebereinstimmung wesentlich verbessert. Bei 7Li wird nur eine Dipol-Riesenresonanz gefunden, die gut mit den verfuegbaren experimentellen Daten uebereinstimmt. Bezueglich der Elektronenstreuung wird die Berechnung der longitudinalen und transversalen Antwortfunktionen von 4He im quasi-elastischen Bereich fuer mittlere Werte des Impulsuebertrages dargestellt. Fuer die Ladungs- und Stromoperatoren wird ein nichtrelativistisches Modell verwendet. Die Rechnungen sind mit semirealistischen Wechselwirkungen durchgefuert und ein eichinvarianter Strom wird durch die Einfuehrung eines Mesonaustauschstroms gewonnen. Die Wirkung des Zweiteilchenstroms auf die transversalen Antwortfunktionen wird untersucht. Vorlaeufige Ergebnisse werden gezeigt und mit den verfuegbaren experimentellen Daten verglichen.