Quantum optical predictions inQ representation for Bell's type experiments

Using the Q representation, we study the disagreement between quantum optical formalism and local realism and we show that the phenomenon of enhancement, first revealed by the local realist analysis, could receive a simple explanation if we use this particular version of the quantum formalism. Nevertheless, some fundamental difficulties remain.     

IR multiphoton dissociation of CF3I. Pressure effect with inert and reactive gases

The IR multiphoton dissociation of CF₃I has been studied in the presence of isobutane and with isobutane and Ar and CO₂ as inert gases. The dependence of the reaction probability P(Φ) with fluence (ϕ) is confirmed. Modeling of the experimental results shows that for the energy transfer processes the average energy transferred per collision 〈†E〉_d varies with (ϕ).     

Fitting complex potential energy surfaces to simple model potentials: application of the simplex-annealing method

A stochastic method of optimization, which combines simulated annealing with simplex, is implemented to fit the parameters of a simple model potential. The main characteristic of the method is that it explores the whole space of the parameters of the model potential, and therefore it is very efficient in locating the global minimum of the cost function, in addition to being independent of the initial guess of the parameters. The method is employed to fit the complex intermolecular potential energy surface of the dimer of water, using as a reference the spectroscopic quality anisotropic site-site potential of Feller et al. The simple model potential chosen for its reparameterization is the MCY model potential of Clementi et al. The quality of the fit is assessed by comparing the geometry of the minimum, the harmonic frequencies, and the second virial coefficients of the parameterized potential with the reference one. Finally, to prove more rigorously the robustness of this method, it is compared with standard nonstochastic methods of optimization.     

Synthesis and characterization of aromatic polyamides containing alkylphthalimido pendent groups

A series of polyisophthalamides containing pendent phthalimido groups and flexible side spacers were prepared from four novel diacids and three commercial aromatic diamines. These polyamides were prepared in high yields and with high molecular weights by direct polycondensation with triphenyl phosphite and pyridine as condensing agents. The weight‐average and number‐average molecular weights, measured by gel permeation chromatography, were 70,000–137,000 and 47,000–86,000 g/mol, respectively. The novel polyamides were amorphous and readily soluble and showed glass‐transition temperatures of 150–240 °C, as measured by differential scanning calorimetry. Thermogravimetric analysis showed that the 10% weight‐loss temperatures in nitrogen were 355–430 °C, a significant improvement in thermal stability having been observed with the increase in the side‐chain length. A theoretical quantum mechanical study was successfully carried out to explain these results. Flexible and tough films, cast from polymer solutions, showed tensile strengths of 50–125 MPa. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 3711–3724, 2002     

Electromagnetic fission of238U at 600 and 1000 MeV per nucleon

Electromagnetic fission of²³⁸U projectiles at E/A =600 and 1000 MeV was studied with the ALADIN spectrometer at the heavy-ion synchrotron SIS. Seven different targets (Be, C, Al, Cu, In, Au and U) were used. By considering only those fission events where the two charges added up to 92, most of the nuclear interactions were excluded. The nuclear contributions to the measured fission cross sections were determined by extrapolating from beryllium to the heavier targets with the concept of factorization. The obtained cross sections for electromagnetic fission are well reproduced by extended Weizsäcker-Williams calculations which include E1 and E2 excitations. The asymmetry of the fission fragments' charge distribution gives evidence for the excitation of the double giant-dipole resonance in uranium.Communicated by V. Metag     

Synthesis of monoacyl A-ring precursors of 1alpha,25-dihydroxyvitamin D3 through selective enzymatic hydrolysis

An efficient synthesis of monoacylated 1alpha,25-dihydroxyvitamin D3 A-ring precursors 15, 16, 18, and 19 has been described through an enzymatic hydrolysis process. Candida antarctica A lipase (CAL-A) hydrolyzes the C-5 acetate ester in trans stereoisomers 9 and 13, with complete and high selectivity, respectively. In the case of cis isomers 11 and 14, Chromobacterium viscosum lipase (CVL) is the enzyme of choice, exhibiting opposite selectivity for these two enantiomers. This lipase selectively catalyzes the hydrolysis at the C-3 acetate in diester 11 and at C-5 position in diester 14. It is noteworthy that through a hydrolysis reaction CAL-A and CVL allow the synthesis of the four A-ring monoacetylated precursors of 1alpha,25-dihydroxyvitamin D3, precursors which are complementary to those obtained by the enzymatic acylation process. In addition, with excellent yield CVL selectively hydrolyzes the C-3 chloroacetate ester instead of the C-5 acetate in diester 22, a key intermediate in the synthesis of new A-ring modified 1alpha,25-dihydroxyvitamin D3 analogues.     

Effect of hydrocolloids on starch thermal transitions,as measured by DSC

Differential scanning calorimetry (DSC) was used to analyze the influence of different hydrocolloids (xanthan, guar, and locust bean gums, carboxymethylcellulose and sodium alginate) on the gelatinization of corn starch in systems with starch concentration ranging between 0.1 and 0.7 g starch/g mixture. The reduction of available water produced a shift in gelatinization temperature, especially of the conclusion temperature. The effect was more marked for ionic hydrocolloids. The influence of hydrocolloids on glass transition temperature (T _g) of gelatinized starch suspensions and on the glass transition temperature of the maximally freeze-concentrated solute/unfrozen water matrix (T _g) was also studied.T _g onset values ranged between –4.5 and –5.5C for corn starch pastes with and without hydrocolloids. Those hydrocolloids that increased the viscosity of the unfrozen matrix inhibited additional ice formation during thawing (devitrification).Starch concentration and final heating temperature were found to be relevant factors affecting the kinetics of amylopectin retrogradation during frozen storage at –4C. Xanthan gum failed to prevent amylopectin retrogradation; this observation could be attributed to the fact that gums act outside the starch granule, while amylopectin retrogradation takes place within the granule.     

Hydrogen bonding interactions between indole and benzenoid-pi-bases

The NH-pi interactions of indole with benzene, naphthalene, phenanthrene, toluene, m-xylene, and mesitilene, in carbon tetrachloride solutions, have been studied by Fourier transform infrared spectroscopy. The experiments, carried out on the NH stretching band of indole, prove the formation of 1:1 complexes in which the NH bond of indole is engaged. The NH frequency shifts are independent of the number of rings in the base, but they progressively increase as the electron density is enhanced by methylation. The association constants increase with the increase of both, the number of rings and the methyl groups on the base. At higher base concentrations, further shifts on the free NH and associated bands indicate the formation of 1:2 complexes, which suggest hybride NH-pi and van der Waals interactions between one indole ring and two benzene acceptor molecules.