First observation of the Cabibbo-suppressed decays Xi(+)(c)->Sigma(+)pi(-)pi(+) and Xi(+)(c)->Sigma(-)pi(+)pi(+) and measurement of their branching ratios

We report the first observation of two Cabibbo-suppressed ecay modes, Xi(+)(c) -> Sigma(+)pi(-)pi(+) and Xi c+ -> Sigma(-)pi(+)pi(+). We observe 59 +/- 14 over a background of 87, and 22 +/- 8 over a background of 13 events, respectively, for the signals. The data were accumulated using the SELEX spectrometer during the 1996-1997 fixed target run at Fermilab, chiefly from a 600 Gev/c Sigma(-) beam. The branching ratios of the decays relative to the Cabibbo-favored Xi c+ -> Xi(-)pi(+)pi(+) are measured to be B(Xi(+)(c) -> Sigma(+)pi(-)pi(+))/B(Xi(+)(c) -> Xi(-)pi(+)pi(+)) = 0.48 +/- 0.20, and B(Xi(+)(c) -> Sigma(-)pi(+)pi(+))/B(Xi(+)(c) -> Sigma(-)pi(+)pi(+)) = 0.18 +/- 0.09, respectively. We also report branching ratios for the same decay modes of the Delta(+)(c) relative to Delta(+)(c) -> pK(-)pi(+.) (C) 2008 Elsevier B.V. All rights reserved.

sigma- and pi-defects at graphene nanoribbon edges: Building spin filters

The presence of certain kinds of defects at the edges of monohydrogenated zigzag graphene nanoribbons changes dramatically the charge transport properties inducing a spin-polarized conductance. Using an approach based on density functional theory and nonequilibrium Green`s function formalism to calculate the transmittance, we classify the defects in different classes depending on their distinct transport properties: (i) sigma-defects, which do not affect the transmittance close to the Fermi energy (E(F)); and (ii) pi-defects, which cause a spin polarization of the transmittance and that can be further divided into either electron or hole defects if the spin transport polarization results in larger transmittance for the up or down spin channel, respectively.

Alkaline phosphatase as a reporter of sigma(S) levels and rpoS polymorphisms in different E-coli strains

sigma(S) is responsible for the transcriptional regulation of genes related to protection against stresses and bacterial survival and it accumulates in the cell under conditions of stress, such as nutrient limitation. An increase in the levels of sigma(S) causes a reduction in the expression of genes that are transcribed by RNA polymerase associated with the principal sigma factor, sigma(70). phoA, that encodes alkaline phosphatase (AP) is expressed under phosphate shortage conditions, and is also repressed by sigma(S). Here we show that in a Pi-limited chemostat, accumulation of rpoS mutations is proportional to the intrinsic level of sigma(S) in the cells. Acquisition of mutations in rpoS relieves repression of the PHO genes. We also devised a non-destructive method based on the rpoS effect on AP that differentiates between rpo(S+) and rpoS mutants, as well as between high and low-sigma(S) producers. Using this method, we provide evidence that sigma(S) contributes to the repression of AP under conditions of Pi excess and that AP variation among different strains is at least partly due to intrinsic variation in sigma(S) levels. Consequently, a simple and non-destructive AP assay can be employed to differentiate between strains expressing different levels of sigma(S) on agar plates.

Dynamic portrait of the planetary 2/1 mean-motion resonance - I. Systems with a more massive outer planet

We analyse the global structure of the phase space of the planar planetary 2/1 mean-motion resonance in cases where the outer planet is more massive than its inner companion. Inside the resonant domain, we show the existence of two families of periodic orbits, one associated to the librational motion of resonant angle (sigma-family) and the other related to the circulatory motion of the difference in longitudes of pericentre (Delta pi-family). The well-known apsidal corotation resonances (ACR) appear as intersections between both families. A complex web of secondary resonances is also detected for low eccentricities, whose strengths and positions are dependent on the individual masses and spatial scale of the system. The construction of dynamical maps for various values of the total angular momentum shows the evolution of the families of stable motion with the eccentricities, identifying possible configurations suitable for exoplanetary systems. For low-moderate eccentricities, several different stable modes exist outside the ACR. For larger eccentricities, however, all stable solutions are associated to oscillations around the stationary solutions. Finally, we present a possible link between these stable families and the process of resonance capture, identifying the most probable routes from the secular region to the resonant domain, and discussing how the final resonant configuration may be affected by the extension of the chaotic layer around the resonance region.

Nuclear dependence of charm production

Using data taken by SELEX during the 1996-1997 fixed target run at Fermilab, we study the production of charmed hadrons on copper and carbon targets with Sigma(-), p, pi(-), and pi(+) beams. Parametrizing the dependence of the inclusive production cross section on the atomic number A as A(alpha), we determine alpha for D(+), D(0), D(s)(+), D(+)(2010), Lambda(+)(c), and their respective anti-particles, as a function of their transverse momentum p(t) and scaled longitudinal momentum x(F). Within our statistics there is no dependence of alpha on x(F) for any charm species for the interval 0.1 < x(F) < 1.0. The average value of alpha for charm production by pion beams is alpha(meson) = 0.850 +/- 0.028. This is somewhat larger than the corresponding average alpha(baryon) = 0.755 +/- 0.016 for charm production by baryon beams (Sigma(-), p).

Can the pi(+) chi(c1) resonance structures be D*(D)over-bar* and D(1)(D)over-bar molecules?

We use QCD sum rules to study the recently observed resonance-like structures in the pi(+)chi(c1) mass distribution, Z(1)(+) (4050) and Z(2)(+) (4250), considered as D*(+) (D) over bar*(0) and D(1)(+) (D) over bar (0) + D(+) (D) over bar (0)(1) molecules with the quantum number J(P) = 0(+) and J(P) = 1-, respectively. We consider the contributions of condensates up to dimension eight and work at leading order in alpha(s). We obtain m(D*D*) = (4.15 +/- 0.12) GeV, around 100 MeV above the D*D* threshold, and m(D1D) = (4.19 +/- 0.22) GeV, around 100 MeV below the D(1)D threshold. We conclude that the D*(+)(D) over bar*(0) state is probably a virtual state that is not related with the Z(1)(+) (4050) resonance-like structure. In the case of the D(1)D molecular state, considering the errors, its mass is consistent with both Z(1)(+)(4050) and Z(2)(+)(4250) resonance-like structures. Therefore, we conclude that no definite conclusion can be drawn for this state from the present analysis. (C) 2008 Elsevier B.V All rights reserved.

Final state hadronic interactions and non-resonant B(+/-)-> K(+/-)pi(+)pi(-) decays

We evaluate the non-resonant decay amplitude of the process B(+/-) -> K(+/-)pi(+)pi(-) using an approach based on final state hadronic interactions described in terms of meson exchanges. We conclude that this mechanism generates inhomogeneities in the Dalitz plot of the B decay. (C) 2008 Published by Elsevier B.V.

Excited state electronic polarization and reappraisal of the n <- pi* emission of acetone in water

Electronic polarization of the acetone molecule in the excited n -> pi* state is considered and its influence on the solvent shift in the emission spectrum is analyzed. Using an iterative procedure the electronic polarizations of both the ground and the excited states are included and compared with previous results obtained with Car-Parrinello dynamics. Analysis of the emission transition obtained using CIS(D)/aug-cc-pVDZ on statistically uncorrelated solute-solvent structures, composed of acetone and twelve explicit water molecules embedded in the electrostatic field of remaining 263 water molecules, corroborates that the solvent effect is mild, calculated here between 80 and 380 cm (1). (c) 2010 Published by Elsevier B.V.

NMR Chemical Shielding and Spin-Spin Coupling Constants of Liquid NH(3): A Systematic Investigation using the Sequential QM/MM Method

The NMR spin coupling parameters, (1)J(N,H) and (2)J(H,H), and the chemical shielding, sigma((15)N), of liquid ammonia are studied from a combined and sequential QM/MM methodology. Monte Carlo simulations are performed to generate statistically uncorrelated configurations that are submitted to density functional theory calculations. Two different Lennard-Jones potentials are used in the liquid simulations. Electronic polarization is included in these two potentials via an iterative procedure with and without geometry relaxation, and the influence on the calculated properties are analyzed. B3LYP/aug-cc-pVTZ-J calculations were used to compute the V(N,H) constants in the interval of -67.8 to -63.9 Hz, depending on the theoretical model used. These can be compared with the experimental results of -61.6 Hz. For the (2)J(H,H) coupling the theoretical results vary between -10.6 to -13.01 Hz. The indirect experimental result derived from partially deuterated liquid is -11.1 Hz. Inclusion of explicit hydrogen bonded molecules gives a small but important contribution. The vapor-to-liquid shifts are also considered. This shift is calculated to be negligible for (1)J(N,H) in agreement with experiment. This is rationalized as a cancellation of the geometry relaxation and pure solvent effects. For the chemical shielding, U(15 N) Calculations at the B3LYP/aug-pcS-3 show that the vapor-to-liquid chemical shift requires the explicit use of solvent molecules. Considering only one ammonia molecule in an electrostatic embedding gives a wrong sign for the chemical shift that is corrected only with the use of explicit additional molecules. The best result calculated for the vapor to liquid chemical shift Delta sigma((15)N) is -25.2 ppm, in good agreement with the experimental value of -22.6 ppm.

Pion: space-like structure

The scalar form factor describes modifications induced by the pion over the quark condensate. Assuming that representations produced by chiral perturbation theory can be pushed to high values of negative-t, a region in configuration space is reached (r < R similar to 0.5 fm) where the form factor changes sign, indicating that the condensate has turned into empty space. A simple model for the pion incorporates this feature into density functions. When supplemented by scalar-meson excitations, it yields predictions close to empirical values for the mean square radius (< r(2)>(pi)(S) = 0.59 fm(2)) and for one of the low energy constants ((l) over bar (4) = 4.3), with no adjusted parameters.

Temperature Dependence of Rb(2) Molecule Formation Rate Constant in a Magneto-Optical Trap

In this paper, we report the measurement of Rb(2) molecule formation rate constant due to a two body process in a magneto-optical trap as a function of the sample temperature. The ground state molecules are detected by two-photon ionization, through the intermediate a(3)Sigma(+)(u) -> 2(3)Pi(g) molecular band. Our results show that the Rb(2) molecules formed in the MOT could be due to a wave shape resonance, which enhances the molecule formation rate. This effect may be used to enhance the molecule production; and therefore it maybe important to future experiments involving production and trapping of cold ground state molecules.

Spin Hall Effect in Symmetric Wells with Two Subbands

We investigate the spin Hall conductivity sigma (xy) (z) of a clean 2D electron gas formed in a two-subband well. We determine sigma (xy) (z) as arising from the inter-subband induced spin-orbit (SO) coupling eta (Calsaverini et al., Phys. Rev. B 78:155313, 2008) via a linear-response approach due to Rashba. By self-consistently calculating eta for realistic wells, we find that sigma (xy) (z) presents a non-monotonic (and non-universal) behavior and a sign change as the Fermi energy varies between the subband edges. Although our sigma (xy) (z) is very small (i.e., a parts per thousand(a)`` e/4 pi aEuro(3)), it is non-zero as opposed to linear-in-k SO models.

The effect of carbonyl group in the asymmetry Of (3,4)J(CH) coupling constants in norbornanones

A rationalization of the known difference between the (3,4)J(C4H1) and (3,4)J(C1H4) couplings transmitted mainly through the 7-bridge in norbornanone is presented in terms of the effects of hyperconjugative interactions involving the carbonyl group. Theoretical and experimental studies Of (3,4)J(CH) couplings were carried out in 3-endo- and 3-exo-X-2-norbornanone derivatives (X = Cl, Br) and in exo- and endo-2-noborneol compounds. Hyperconjugative interactions were studied with the natural bond orbital (NBO) method. Hyperconjugative interactions involving the carbonyl pi*c(2) =o and sigma*c(2) =o antibonding orbitals produce a decrease of three-bond contribution to both (3,4) J(C4H1) and (3,4)J(C1H4) couplings. However, the latter antibonding orbital also undergoes a strong sigma c(3)-c(4) ->sigma*c(2) =o interaction, which defines an additional coupling pathway for (3,4)J(C4H1) but not for (3,4)J(C1H4). This pathway is similar to that known for homoallylic couplings, the only difference being the nature of the intermediate antibonding orbital; i.e. for (3,4)J(C4H1) it is of sigma*-type, while in homoallylic couplings it is of pi*-type. Copyright (c) 2007 John Wiley & Sons, Ltd.

SIGMA THEORY AND TWISTED CONJUGACY CLASSES

Using Sigma theory we show that for large classes of groups G there is a subgroup H of finite index in Aut(G) such that for phi is an element of H the Reidemeister number R(phi) is infinite. This includes all finitely generated nonpolycyclic groups G that fall into one of the following classes: nilpotent-by-abelian groups of type FP(infinity); groups G/G `` of finite Prufer rank; groups G of type FP(2) without free nonabelian subgroups and with nonpolycyclic maximal metabelian quotient; some direct products of groups; or the pure symmetric automorphism group. Using a different argument we show that the result also holds for 1-ended nonabelian nonsurface limit groups. In some cases, such as with the generalized Thompson`s groups F(n,0) and their finite direct products, H = Aut(G).

The transcriptional response to cadmium, organic hydroperoxide, singlet oxygen and UV-A mediated by the sigma(E)-ChrR system in Caulobacter crescentus

Caulobacter crescentus sigma(E) belongs to the ECF (extracytoplasmic function) subfamily of RNA polymerase sigma factors, whose members regulate gene expression in response to distinct environmental stresses. During physiological growth conditions, data indicate that sigma(E) is maintained in reduced levels due to the action of ChrR, a negative regulator of rpoE gene expression and function. However, once bacterial cells are exposed to cadmium, organic hydroperoxide, singlet oxygen or UV-A irradiation, transcription of rpoE is induced in a sigma(E)-dependent manner. Site-directed mutagenesis indicated that residue C188 in ChrR is critical for the cadmium response while residues H140 and H142 are required for the bacterial response to organic hydroperoxide, singlet oxygen and UV-A. Global transcriptional analysis showed that sigma(E) regulates genes involved in protecting cells against oxidative damages. A combination of transcriptional start site identification and promoter prediction revealed that some of these genes contain a putative sigma(E)-dependent motif in their upstream regions. Furthermore, deletion of rpoE and two sigma(E)-dependent genes (cfaS and hsp20) impairs Caulobacter survival when singlet oxygen is constantly generated in the cells.