Exact controllability of a spherical cap: Numerical implementation of HUM

This paper deals with the numerical implementation of the exact boundary controllability of the Reissner model for shallow spherical shells (Ref. 1). The problem is attacked by the Hilbert uniqueness method (HUM, Refs. 2–4), and we propose a semidiscrete method for the numerical approximation of the minimization problem associated to the exact controllability problem. The numerical results compare well with the results obtained by a finite difference and conjugate gradient method in Ref. 5.This work was done when the first two authors were at CNR-IAC, Rome, Italy as Graduate Students.     

Open-cyclic warfarin isomerism: 5-hydroxywarfarin

Addition of a 5-hydroxy substituent to warfarin [3-(1-phenyl-3-oxobutyl)-4-hydroxycoumarin] shifts the solution equilibrium in chloroform to favor the open isomeric form over the two cyclic diastereomeric hemiketals. X-ray diffraction analysis reveals 5-hydroxywarfarin crystallizes as the open isomer in contrast to the more than 20 warfarin and analog structures which occur ascis ortrans hemiketal forms in the solid. The two peri hydroxyl groups in the structure of 3-(1-phenyl-3-oxobutyl)-4,5-dihydroxycoumarin are intramolecularly H-bonded. Methyl kctal derivatives of 5-hydroxywarfarin and a close analog effectively model the minor cyclic hemiketal forms in solution. Structures of bothcis andtrans cyclic methyl ketals of 3-(4-oxopent-2-yl)-4,5-dihydroxy-coumarin have been determined and the aryl hydroxyls H-bond to the dihydropyranyl ring oxygens of the cyclic ketals. Nuclear magnetic resonance studies suggest that these intramolecular H-bonds persist in chloroform solution. Infrared spectroscopy on the series of compounds in KBr pellets is consistent with the crystallographically determined structures and H-bonding schemes.     

Solution-phase counterion effects in supramolecular and mechanostereochemical systems

The self-assembly of molecular components into complex superstructures involves the subtle interplay of various noncovalent forces. Charged species are often utilised in self-assembly processes as a result of the favorable π-π, cation-π, electrostatic, and hydrogen bonding interactions that form between these species. Although the counterions associated with these charged species can exert significant effects on the synthesis, stability, and operation of superstructures in solution, rarely are the counterions considered, leading to misinterpretations and misunderstandings of the studied systems. In this tutorial review, we discuss a variety of solution-phase counterion effects, from the fundamental origins to innovative ways in which these effects are exploited for useful functions.     

CCC-N-heterocyclic carbene pincer complexes: Synthesis, characterization and hydroamination activity of a hafnium complex

Our methodology for the stoichiometric preparation of CCC-NHC pincer complexes of Zr has been extended to Hf. The CCC^Bu-NHC pincer Hf complex has been characterized by X-ray crystal structure analysis. Catalytic activity in the intramolecular hydroamination/cyclization of unactivated alkenes is reported and compared to the recently reported Zr analog. An improved, scaled-up CuO-catalyzed aryl amination of 1,3-dibromobenzene and an improved salt formation methodology for preparation of bis(butyl-imidazolium)benzene are reported also.     

Molecular structure-activity relationships for the oxidation of organic compounds using mesoporous silica catalysts derivatised with bis(halogeno)dioxomolybdenum(VI) complexes

Mo K-edge XAFS spectra have been measured for ordered mesoporous silica MCM-41 grafted with the complexes [MoO2X2(thf)2] (X=Cl, Br). For grafting reactions in the absence of triethylamine, materials with 1 wt. % Mo are obtained; the Mo K-edge EXAFS results indicate the co-existence of isolated surface-fixed monomeric species [MoO2[(-O)3SiO]2(thf)(n)] and [MoO2[(-O)3SiO]X(thf)(n)]. When Et3N is used in the grafting reactions, materials with 4 wt. % Mo are obtained. The EXAFS data for the material prepared using [MoO2Cl2(thf)2] and Et3N indicate the presence of dinuclear species with two Mo(VI) centres, each with two Mo=O groups and each linked by one or two oxo bridges (Mo...Mo 3.27 A). The molybdenum centres in the material prepared using the dibromo complex comprise mainly isolated four-coordinate dioxomolybdenum(VI) and trioxomolybdenum(VI) monomeric species, with a small contribution from dimeric species. All materials were further characterised in the solid state by powder X-ray diffraction, N2 adsorption analysis, MAS NMR (13C, 29Si) and FTIR spectroscopy. The derivatised MCMs perform differently as catalysts in the liquid-phase oxidation of various olefins and alcohols with tert-butyl hydroperoxide. The highest alkene epoxidation activity was recorded for the catalysts with low metal loading, whereas the material containing oxo-bridged dimers had the highest activity for oxidation of alcohols. The recyclability of all the catalysts was tested: the catalytic activity of the derivatised materials tended to stabilize with ageing.     

Moment redistribution in continuous reinforced concrete beams strengthened with carbon-fiber-reinforced polymer laminates

The results of tests on continuous steel-fiber-reinforced concrete (RC) beams, with and without an external strengthening, are presented. The internal flexural steel reinforcement was designed so that to allow steel yielding before the collapse of the beams. To prevent the shear failure, steel stirrups were used. The tests also included two nonstrengthened control beams; the other specimens were strengthened with different configurations of externally bonded carbon-fiber-reinforced polymer (CFRP) laminates. In order to prevent the premature failure from delamination of the CFRP strengthening, a wrapping was also applied. The experimental results obtained show that it is possible to achieve a sufficient degree of moment redistribution if the strengthening configuration is chosen properly, confirming the results provided by two simple numerical models. Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 43, No. 5, pp. 667–686, September–October, 2007.     

Multihadronic decays and partial widths of the J/Ψ (3100) resonance produced in e+e− annihilation at adone

The reactions e⁺e^?→ hadrons and e⁺e⁺e^?→e⁺e^? have been studied at the J/gY (3100) resonance). The relative weights of the topological cross sections for fixed charged multiplicity are σ₂=(32±5)%, σ₄=(49±8)%, σ₆=(18±3)%, and σ₈=(1±0.6)%. The average pion multiplicities are 〈n_ch〉=3.8±0.3 and 〈n_{π^o〉=3.1±0.8}. The decay widths are Γ_e=(4.6±0.8) keV, Γ_h=(59±24) keV, and Γ=(68±26) keV.     

A search for neutrino oscillations

We present here the final results of experiments searching for neutrino oscillations, carried out by the CHARM Collaboration. The data — taking took place in 1983. The first experiment was performed by exposing two detectors simultaneously to the CERN PS low energyv _µ beam. In the second experiment the full CHARM detector was exposed to the wide-band horn-focusedv _µ beam of the CERN SPS. Complete details of the experiments and data reduction are presented. No statistically significant signals for neutrino oscillations were observed. Our 90% CL limits in the appearance experiment (v _µ→v _e ) exclude Δm ²≧0.19 eV² for complete mixing (sin²2θ=1), and sin²2θ≧0.008 for the region Δm ²≧30 eV². These results, and the limits observed for (v _µ→v _x ) (disappearance of (v _µ), are in agreement with those of most other experiments but exclude part of the region previously reported as a possible indication ofv _µ→v _e oscillations.     

Measurement of the polarization of positive muons produced in high-energy antineutrino interactions

The question whether scalar-type interactions contribute to weak interactions at large momentum transfer has been investigated by a measurement of the longitudinal polarization of positive muons produced in charged-current interactions of high-energy antineutrinos with iron. At an average momentum transfer <Q ²>=4 GeV² the muon spin is found to be oriented forward with respect to the muon momentum vector, with an average polarization of 1.10±0.24, consistent with positive helicity. A limit on scalar contributions of σ_{s, p}/σ_tot <7% at the 95% confidence level can be deduced. A search for violation of time reversal invariance which could manifest itself by a polarization component perpendicular to the muon production plane gave a limit of σ_tv/σ_tot <16% (95% c.l.). It is concluded that the weak leptonic charged current retains its dominant vector and axial vector structure at large momentum transfers.     

On the possible existence of a vector meson ϱ' (1250)

By combining new results obtained at C.M. energies of 1.2 and 1.3 GeV with previous data obtained at lower energies from the e⁺e^? annihilation process e⁺e^? → π⁺π^?π^oπ^o, we get an indication in favour of the existence of a new vector meson of the ? type, ?' (1250), the first daughter of the ? in the predictions of the Veneziano model. Further results on the annihilation process e⁺e^? → π (1600) → π⁺π^?π⁺π^? are also presented.