Experimental NMR and MS study of benzoylguanidines. Investigation of E/Z isomerism

Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI‐MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (¹H‐¹³C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple‐Bond Correlation (HMBC), ¹H‐¹⁵N HMBC, ¹H‐¹H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p‐Cl and p‐Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p‐NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright © 2013 John Wiley & Sons, Ltd.     

Analysis of high resolution electron spin resonance spectra

Previous interpretations of the electron spin resonance spectrum of Wurster's Blue cation are shown to be incorrect. In particular the nitrogen hyperfine splitting constant previously quoted as 0·28 gauss is, in fact, 7·0 gauss. A complete analysis of the spectrum is described.     

Constructal design of T-shaped cavity for several convective fluxes imposed at the cavity surfaces

The purpose here is to investigate, by means of the constructal principle, the influence of the convective heat transfer flux at the cavity surfaces over the optimal geometry of a T-shaped cavity that intrudes into a solid conducting wall. The cavity is cooled by a steady stream of convection while the solid generates heat uniformly and it is insulated on the external perimeter. The convective heat flux is imposed as a boundary condition of the cavity surfaces and the geometric optimization is achieved for several values of parameter a = (2hA^1/2/k)^1/2. The structure of the T-shaped cavity has four degrees of freedom: L₀/L₁ (ratio between the lengths of the stem and bifurcated branches), H₁/L₁ (ratio between the thickness and length of the bifurcated branches), H₀/L₀ (ratio between the thickness and length of the stem), and H/L (ratio between the height and length of the conducting solid wall) and one restriction, the ratio between the cavity volume and solid volume (φ). The purpose of the numerical investigation is to minimize the maximal dimensionless excess of temperature between the solid and the cavity. The simulations were performed for fixed values of H/L = 1.0 and φ = 0.1. Even for the first and second levels of optimization, (L₁/L₀) _○○ and (H₀/L₀)_○, the results revealed that there is no universal shape that optimizes the cavity geometry for every imposed value of a. The T-shaped cavity geometry adapts to the variation of the convective heat flux imposed at the cavity surfaces, i.e., the system flows and morphs with the imposed conditions so that its currents flow more and more easily. The three times optimal shape for lower ratios of a is achieved when the cavity has a higher penetration into the solid domain and for a thinner stem. As the magnitude of a increases, the bifurcated branch displaces toward the center of the solid domain and the number of highest temperature points also increases, i.e., the distribution of temperature field is improved according to the constructal principle of optimal distribution of imperfections.     

Photoacoustic spectroscopy of Baru – <Emphasis Type="Italic">Dipteryx alata</Emphasis> Vog

Photoacoustic spectroscopy (PAS) was used to investigate samples produced from Baru (Dipteryx alata Vog.), a typical fruit from the Brazilian Cerrado, which is considered as a good source of nutrients. The photoacoustic (PA) spectra of samples prepared from Baru seeds present three different absorption bands in the wavelength range 0.3–1.0 μm, named Band-C, Band-S, and Band-L. We found that PAS can be useful for monitoring the strong absorption of visible light by Baru's seeds constituents mainly in the shorter wavelength measured range. This study is important from both agricultural and commercial point of view once it introduces PAS as a potential characterization technique allowing better control of fruit and seed selection, storage and transportation.     

Study of the effect of the oxygen partial pressure on the properties of rf reactive magnetron sputtered tin-doped indium oxide films

The influence of the oxygen partial pressure on the properties of indium tin oxide films deposited by rf reactive magnetron sputtering has been studied. The oxygen partial pressure was varied from 3.2 × 10⁻⁴ to 1.0 × 10⁻³ mbar. It has been found that the 4 × 10⁻⁴ mbar of oxygen partial pressure is a critical point. When the oxygen partial pressure is lower than 4 × 10⁻⁴ mbar, the deposition rate of the films is high; the films have low transmittance and electrical resistivity; the X-ray diffraction shows that the films have a random orientation and the images of the scanning electron microscopy show that the films surface are smooth without structure. When the pressure is higher than 4 × 10⁻⁴ mbar, the deposition rate is low and does not change as the oxygen partial pressure is further increased; the transmittance and the electrical resistivity are both high; the films show the preferred orientation along the (440) direction; the films surface show a clear structure and as the pressure is increased further, the films become porous. Considering both the factor of transmittance and resistivity, the optimum oxygen partial pressure will be 3.6 × 10⁻⁴ mbar. The films prepared at this pressure have 80% transmittance and 9 × 10⁻⁴ Ω cm resistivity.     

Characterization and control of phase fluctuations in elongated Bose–Einstein condensates

Quasi-one-dimensional Bose–Einstein condensates (BECs) in elongated traps exhibit significant phase fluctuations even at very low temperatures. We present recent experimental results on the dynamic transformation of phase fluctuations into density modulations during time of flight and show the excellent quantitative agreement with the theoretical prediction. In addition we confirm that, under our experimental conditions, in the magnetic trap density modulations are strongly suppressed even when the phase fluctuates. We also discuss our theoretical results on control of the condensate phase by employing a time-dependent perturbation. Our results set important limitations on future applications of BECs in precision atom interferometry and atom optics, but at the same time suggest pathways to overcome these limitations. Received: 17 August 2002 / Published online: 15 January 2003 RID="*" ID="*"Corresponding author. Fax: +49-511/762-3023, E-mail: Helge.Kreutzmann@ITP.uni-hannover.de     

Atom optics with rotating Bose-Einstein condensates

The atom optics of Bose-Einstein condensates containing a vortex of circulation one is discussed. We first analyze in detail the reflection of such a condensate falling on an atomic mirror. In a second part, we consider a rotating condensate in the case of attractive interactions. We show that for sufficiently large nonlinearity the rotational symmetry of the rotating condensate is broken. Received 16 September 2002 / Received in final form 17 November 2002 Published online 11 February 2003     

Letter: Active Gravitational Mass and the Invariant Characterization of Reissner–Nordström Spacetime

We analyse the concept of active gravitational mass for Reissner-Nordström spacetime in terms of scalar polynomial invariants and the Karlhede classification. We show that while the Kretschmann scalar does not produce the expected expression for the active gravitational mass, both scalar polynomial invariants formed from the Weyl tensor, and the Cartan scalars, do.     

Phonon-induced polariton superlattices

We show that the coherent interaction between microcavity polaritons and externally stimulated acoustic phonons forms a tunable polariton superlattice with a folded energy dispersion determined by the phonon population and wavelength. Under high phonon concentration, the strong confinement of the optical and excitonic polariton components in the phonon potential creates weakly coupled polariton wires with a virtually flat energy dispersion.     

Geometric phase induced by a cyclically evolving squeezed vacuum reservoir

We propose a new way to generate an observable geometric phase by means of a completely incoherent phenomenon. We show how to imprint a geometric phase to a system by adiabatically manipulating the environment with which it interacts. As a specific scheme, we analyze a multilevel atom interacting with a broadband squeezed vacuum bosonic bath. As the squeezing parameters are smoothly changed in time along a closed loop, the ground state of the system acquires a geometric phase. We also propose a scheme to measure such a geometric phase by means of a suitable polarization detection.