Characterization of β-cyclodextrin inclusion complex with procaine hydrochloride by 1H NMR and ITC

The inclusion of local anesthetic drug procaine hydrochloride by β-cyclodextrin was investigated by 1D and 2D proton NMR spectroscopy and isothermal titration calorimetry (ITC) at 298 K. The stoichiometry of the complex was determinate by the method of continuous variation, using the chemical induced shift of both host and guest protons. The association constant K, of the obtained complex was calculated and found to be 293.17 M^?1. Rotating frame NOE spectroscopy, was used to ascertain the solution geometry of the host–guest complex. The result reveals that the procaine molecule penetrates into the β-cyclodextrin cavity with the aromatic ring. The energetics of complexation process is investigated by ITC technique. The analysis indicates that the complexation of procaine by β-CD is an exothermic process and show that both enthalpy and entropy contribute to the binding process. The obtained value for the association constant is in good agreement with that obtained from NMR.     

Co-electrolysis of CO2 and H2O: From electrode reactions to cell-level development

The electroreduction of CO₂ into value-added products (e.g. CO) constitutes an excellent means of decreasing this greenhouse gas emissions, but limited efforts have been devoted to the implementation of this reaction within the so-called co-electrolysis cells operating at process-relevant currents >> 100 mA·cm_geom^?2. Reaching such performances shall require a combination of gas-fed reactants and the corresponding diffusion electrodes, along with ion-exchange membranes and ionomers that set the operative pH at the cells' cathode and anode. The latter constitutes a key design parameter that must be combined with the need to minimize the crossover of reaction products and/or (bi)carbonate anions from the cathode to the anode, whereby their reoxidation to carbon dioxide leads to a decrease in the device's net CO₂ consumption.     

Counterexamples to a triality theorem in “Canonical dual least square method”

In this short note we give two counterexamples to the Triality Theorem concerning the optimization problem presented in Ruan et al., Comput. Optim. Appl. (2008). In order to understand the problem first we introduce the framework of this paper and quote the theorem we have in view. Then, while trying to verify this theorem we encounter several difficulties and note their nature. We end by revealing our counterexamples.     

On the Superlinear Convergence of the Successive Approximations Method

The Ostrowski theorem is a classical result which ensures the attraction of all the successive approximations x _k+1 = G(x _k ) near a fixed point x*. Different conditions [ultimately on the magnitude of G(x*)] provide lower bounds for the convergence order of the process as a whole. In this paper, we consider only one such sequence and we characterize its high convergence orders in terms of some spectral elements of G(x*); we obtain that the set of trajectories with high convergence orders is restricted to some affine subspaces, regardless of the nonlinearity of G. We analyze also the stability of the successive approximations under perturbation assumptions.     

Energetics and vibrational states for hydrogen on Pt(111)

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first-principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68 meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.     

First identification of excited states in 59Zn

Excited states in ⁵⁹Zn were observed for the first time following the fusion-evaporation reaction ²⁴Mg + ⁴⁰Ca at a beam energy of 60 MeV. The GASP array in conjunction with the ISIS Silicon ball and the NeutronRing allowed for the detection of γ-rays in coincidence with evaporated light particles. The mirror symmetry of ⁵⁹Zn and ⁵⁹Cu is discussed. Received: 28 May 2002 / Accepted: 10 July 2002 / Published online: 3 December 2002 RID="a" ID="a"Present address: Oliver Lodge Laboratory, University of Liverpool, P.O. Box 147, Liverpool, L69 7ZE, United Kingdom; e-mail: ca@ns.ph.liv.ac.uk. RID="b" ID="b"Present address: Physik-Departament, Technische Universit?t München, D-85748 Garching, Germany. Communicated by W. Henning     

External Homogenization for Hopf Algebras: Applications to Maschke's Theorem

We apply to Hopf algebras a construction from graded rings, called the group ring of a graded ring. By using this construction we study the transfer of properties between certain categories of relative Hopf modules. As another application, we obtain a Maschke-type theorem for a Galois extension over a semisimple Hopf algebra.     

Electron-microscopy investigations of the damage of aluminium mirrors as a result of repeated powerful microsecond pulsed TEA-CO2 laser irradiation in air

Progressive damage of aluminium mirrors subjected to microsecond pulsed TEA-CO₂ laser irradiation in air, at incident intensity levels lower than the thresholds for melting induction and air breakdown ignition, was evidenced by electron microscopy investigations. A simple model was developed accounting for the results of our experimental studies.