Study of the decay B0(B- 0)-->rho+rho-, and constraints on the Cabibbo-Kobayashi-Maskawa angle alpha

Using a data sample of 89 x 10(6) Upsilon(4S)-->BB decays collected with the BABAR detector at the PEP-II asymmetric B Factory at SLAC, we measure the B0(B (0))-->rho(+)rho(-) branching fraction as [30+/-4(stat)+/-5(syst)]x10(-6) and a longitudinal polarization fraction of f(L)=0.99+/-0.03(stat)+0.04-0.03(syst). We measure the time-dependent-asymmetry parameters of the longitudinally polarized component of this decay as C(L)=-0.17+/-0.27(stat)+/-0.14(syst) and S(L)=-0.42+/-0.42(stat)+/-0.14(syst). We exclude values of alpha between 19 degrees and 71 degrees (90% C.L.).     

Mechanistic investigation leads to a synthetic improvement in the hydrolytic kinetic resolution of terminal epoxides

The mechanism of the hydrolytic kinetic resolution (HKR) of terminal epoxides was investigated by kinetic analysis using reaction calorimetry. The chiral (salen)Co-X complex (X = OAc, OTs, Cl) undergoes irreversible conversion to (salen)Co-OH during the course of the HKR and thus serves as both precatalyst and cocatalyst in a cooperative bimetallic catalytic mechanism. This insight led to the identification of more active catalysts for the HKR of synthetically useful terminal epoxides.     

Comparison of chromatographic ion-exchange resins. III. Strong cation-exchange resins

A comparative study was performed on strong cation-exchangers to investigate the pH dependence, efficiency, binding strength, particle size distribution, static and dynamic capacity, and SEM pictures of chromatographic resins. The resins tested included: SP Sepharose XL, Poros 50 HS, Toyopearl SP 550c, SP Sepharose BB, Source 30S, TSKGel SP-5PW-HR20, and Toyopearl SP 650c. Testing was performed with four different proteins: anti-FVII Mab (IgG), aprotinin, lysozyme, and myoglobin. Dependence of pH on retention was generally very low for proteins with high pI. An unexpected binding at pH 7.5 of anti-FVII Mab with pI < 7.5 was observed on several resins. Efficiency results show the expected trend of higher dependence of the plate height with increasing flow rate of soft resins compared to resins for medium and high-pressure operation. Determination of particle size distribution by two independent methods, Coulter counting and SEM, was in very good agreement. The mono-dispersed nature of Source 30S was confirmed. Binding to cation-exchange resins as a function of ionic strength varies depending on the specific protein. Generally, binding and elution at high salt concentration may be performed with Toyopearl SP 550c and Poros 50 HS, while binding and elution at low salt concentration may be performed with Toyopearl SP 650c. A very high binding capacity was obtained with SP Sepharose XL. Comparison of static capacity and dynamic capacity at 10% break-through shows in general approximately 50-80% utilisation of the total available capacity during chromatographic operation. A general good agreement was obtained between this study and data obtained by others. The results of this study may be used for selection of resins for testing in process development. The validity of experiments and results with model proteins were tested using human insulin precursor in pure state and in real feed-stock on Toyopearl SP 550c, SP Sepharose BB, and Toyopearl SP 650c. Results showed good agreement with experiments with model proteins.     

Enantioselective synthetic thalidomide receptors based upon DNA binding motifs

A series of molecularly imprinted polymer (MIP) synthetic receptors selective for the sedative thalidomide (5) have been designed and synthesized based upon the functional monomer 9-(2'-methacryloyloxyethyl)adenine (2). (1)H-NMR studies were used to establish the existence of DNA-like binding interactions between 2 and the template (5). A series of ethylene glycol dimethacrylate cross-linked copolymers was synthesized using either 2 or methacrylic acid, or a combination of these functional monomers. Zonal HPLC studies demonstrated enantioselectivity (alpha = 2.11) and ligand selectivity which could be attributed to the interaction of 2 with the imide moiety of 5. Compound 2 provided a more significant contribution to the binding of 5 than methacrylic acid, though a combination of these two functional monomers resulted in improved enantioselectivity. Frontal chromatographic and batch binding studies confirmed the observed differences in affinity of the imprinted and reference polymers for the template.     

Semi-Balanced Colorings of Graphs: Generalized 2-Colorings Based on a Relaxed Discrepancy Condition

We generalize the concept of a 2-coloring of a graph to what we call a semi-balanced coloring by relaxing a certain discrepancy condition on the shortest-paths hypergraph of the graph. Let G be an undirected, unweighted, connected graph with n vertices and m edges. We prove that the number of different semi-balanced colorings of G is: (1) at most n+1 if G is bipartite; (2) at most m if G is non-bipartite and triangle-free; and (3) at most m+1 if G is non-bipartite. Based on the above combinatorial investigation, we design an algorithm to enumerate all semi-balanced colorings of G in O(nm²) time.Acknowledgments The authors thank Tetsuo Asano, Naoki Katoh, Kunihiko Sadakane, and Hisao Tamaki for helpful discussions and comments.Supported in part by Sweden-Japan FoundationFinal version received: November 17, 2003     

Searches for B0 decays to combinations of two charmless isoscalar mesons

We search for B meson decays into two-body combinations of eta, eta', omega, and phi mesons from 89 x 10(6) BB pairs collected with the BABAR detector at the PEP-II asymmetric-energy e+e- collider at SLAC. We find the branching fraction B(B0-->etaomega)=(4.0(+1.3)(-1.2)+/-0.4)x10(-6) with a significance of 4.3 sigma. For the other decay modes we set the following 90% confidence level upper limits on the branching fractions, in units of 10(-6): B(B0-->etaeta)<2.8, B(B0-->etaeta')<4.6, B(B0-->eta'eta')<10, B(B0-->eta'omega)<2.8, B(B0-->etaphi)<1.0, B(B0-->eta'phi)<4.5, and B(B0-->phiphi)<1.5.     

Bayesian ensemble approach to error estimation of interatomic potentials

Using a Bayesian approach a general method is developed to assess error bars on predictions made by models fitted to data. The error bars are estimated from fluctuations in ensembles of models sampling the model-parameter space with a probability density set by the minimum cost. The method is applied to the development of interatomic potentials for molybdenum using various potential forms and databases based on atomic forces. The calculated error bars on elastic constants, gamma-surface energies, structural energies, and dislocation properties are shown to provide realistic estimates of the actual errors for the potentials.     

Measurement of the B-->Xsl+l- branching fraction with a sum over exclusive modes

We measure the branching fraction for the flavor-changing neutral-current process B-->X(s)l(+)l(-) with a sample of 89x10(6) Upsilon(4S)-->BBmacr; events recorded with the BABAR detector at the PEP-II e(+)e(-) storage ring. The final state is reconstructed from e(+)e(-) or micro(+)micro(-) pairs and a hadronic system X(s) consisting of one K+/- or K(0)(S) and up to two pions, with at most one pi(0). We observe a signal of 40+/-10(stat)+/-2(syst) events and extract the inclusive branching fraction B(B-->X(s)l(+)l(-))=(5.6+/-1.5(stat)+/-0.6(exp syst)+/-1.1(model syst))x10(-6) for ml(+)(l(-))>0.2 GeV/c(2).     

Measurement of the inclusive charmless semileptonic branching ratio of B mesons and determination of |V ub|

We report a measurement of the inclusive charmless semileptonic branching fraction of B mesons in a sample of 89 x 10(6) (-)BB events recorded with the BABAR detector at the Upsilon(4S) resonance. Events are selected by fully reconstructing the decay of one B meson and identifying a charged lepton from the decay of the other B meson. The number of signal events is extracted from the mass distribution of the hadronic system accompanying the lepton and is used to determine the ratio of branching fractions B((-)B-->X(u)lnu;)/B((-)B-->Xlnu;)=[2.06+/-0.25(stat)+/-0.23(syst)+/-0.36(theo)]x10(-2). Using the measured branching fraction for inclusive semileptonic B decays, we find B((-)B-->X(u)lnu;)=[2.24+/-0.27(stat)+/-0.26(syst)+/-0.39(theo)]x10(-3) and derive the Cabibbo-Kobayashi-Maskawa matrix element |V(ub)|=[4.62+/-0.28(stat)+/-0.27(syst)+/-0.48(theo)]x10(-3).     

Observation of the decay B+/--->pi+/-pi0, study of B+/--->K+/-pi0, and search for B0-->pi0pi0

We present results for the branching fractions and charge asymmetries in B+/--->h(+/-)pi(0) (where h(+/-)=pi(+/-),K+/-) and a search for the decay B0-->pi(0)pi(0) using a sample of approximately 88 x 10(6) BBmacr; pairs collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. We measure B(B+/--->pi(+/-)pi(0))=(5.5(+1.0)(-0.9)+/-0.6)x10(-6), where the first error is statistical and the second is systematic. The B+/--->pi(+/-)pi(0) signal has a significance of 7.7sigma including systematic uncertainties. We simultaneously measure the K+/-pi(0) branching fraction to be B(B+/--->K+/-pi(0))=(12.8(+1.2)(-1.1)+/-1.0)x10(-6). The charge asymmetries are Api(+/-)(pi(0))=-0.03(+0.18)(-0.17)+/-0.02 and AK+/-(pi(0))=-0.09+/-0.09+/-0.01. We place a 90% confidence-level upper limit on the branching fraction B(B0-->pi(0)pi(0)) of 3.6 x 10(-6).