Structure and NMR properties of 6‐substituted‐5,6‐dihydrobenzo[c]phenanthridine alkaloids

We report a preparation of new 6‐substituted‐5,6‐dihydrobenzo[c]phenanthridines by the reaction of azoles with quaternary benzo[c]phenanthridine alkaloids sanguinarine and chelerythrine. The prepared compounds have been characterized by NMR spectroscopy, mass spectrometry, and single‐crystal X‐ray diffraction. Conformational behaviors of carbazole derivatives in solution have been investigated by low‐temperature NMR experiments. Barriers to rotation around newly formed C6–N bonds were determined to be 12–13 kcal/mol. Quantum chemical calculations have been used to reproduce the experimental observations. Large structural effects on several ¹H NMR resonances were observed experimentally, analyzed by Density Functional Theory (DFT) calculations at B3LYP/6‐311+G(d,p)/PCM level, and interpreted by ring‐current effects of the benzo[c]phenanthridine and carbazole units. Copyright © 2013 John Wiley & Sons, Ltd.     

Projection Evolution of Quantum States—the Delayed Choice Puzzle

Physics of Atomic Nuclei - We discuss the problem of the time variable in the nearly standard formulation of the quantum mechanics. In order to be able to describe the outcome of some of the...     

Dynamical dark energy models – dynamical system approach

We study the Friedmann-Robertson-Walker model with dynamical dark energy modelled in terms of the equation of state p _X = w _X (a(z)) ρ _X in which the coefficient w _X is parameterized by the scale factor a or redshift z. We use methods of qualitative analysis of differential equations to investigate the space of all admissible solutions for all initial conditions on the two-dimensional phase plane. We show advantages of representing this dynamics as a motion of a particle in the one-dimensional potential V(a). One of the features of this reduction is the possibility of investigating how typical big rip singularities are in the future evolution of the model. The properties of potential function V can serve as a tool for qualitative classification of all evolution paths. Some important features like resolution of the acceleration problem can be simply visualized as domains on the phase plane. Then one is able to see how large is the class of solutions (labelled by the inset of the initial conditions) leading to the desired property.     

Natural radioactivity in groundwater--a review

The issue of natural radioactivity in groundwater is reviewed, with emphasis on those radioisotopes which contribute in a significant way to the overall effective dose received by members of the public due to the intake of drinking water originating from groundwater systems. The term 'natural radioactivity' is used in this context to cover all radioactivity present in the environment, including man-made (anthropogenic) radioactivity. Comprehensive discussion of radiological aspects of the presence of natural radionuclides in groundwater, including an overview of current regulations dealing with radioactivity in drinking water, is provided. The presented data indicate that thorough assessments of the committed doses resulting from the presence of natural radioactivity in groundwater are needed, particularly when such water is envisaged for regular intake by infants. They should be based on a precise determination of radioactivity concentration levels of the whole suite of radionuclides, including characterisation of their temporal variability. Equally important is a realistic assessment of water intake values for specific age groups. Only such an evaluation may provide the basis for possible remedial actions.     

Origin of the magnetic field induced changes of the transverse plasma mode in the c-axis infrared response of underdoped YBa2Cu3O(7-δ)

We report on results of our theoretical study of magnetic field induced changes of the c-axis infrared response of bilayer cuprate superconductors using the phenomenological multilayer model involving the conductivity of the spacing layers and that of the bilayer units. For H perpendicular to the planes, the local conductivities have been expressed in terms of a two-fluid approximation--as weighted averages of the superconducting state ones and the normal state ones representing contributions of the vortex cores, the weight of the latter increasing linearly with the field. This allows us to reproduce and interpret the fast decrease with increasing H of the well known 400 cm(-1) peak (transverse plasma mode) in the c-axis conductivity, observed by LaForge and co-workers. For the local conductivities of underdoped YBa(2)Cu(3)O(7-δ) with T(c)=58 K reported by Dubroka and co-workers and the fraction of the normal state (T ≈ T(c)) component given by (μ(0)H/25 T), the computed field induced changes of the reflectivity are in quantitative agreement with the data. This suggests that the response at H=0 and T ≈ T(c) is close to that at H=25 T < H(c2) and T ? T(c), in accord with theories attributing the above T(c) state to that of a superconductor lacking long-range phase coherence. Also discussed are changes of the response induced by H parallel to the CuO(2) planes.     

Quantum computation with ions in microscopic traps

We discuss a possible experimental realization of fast quantum gates with high fidelity with ions confined in microscopic traps. The original proposal of this physical system for quantum computation comes from Cirac and Zoller (Nature 404, 579 (2000)). In this paper we analyse a sensitivity of the ion-trap quantum gate on various experimental parameters which was omitted in the original proposal. We address imprecision of laser pulses, impact of photon scattering, nonzero temperature effects and influence of laser intensity fluctuations on the total fidelity of the two-qubit phase gate.     

Regularity and other properties of absolutely continuous invariant measures for the quadratic family

In the current paper we study in more detail some properties of the absolutely continuous invariant measures constructed in the course of the proof of Jakobson's Theorem. In particular, we show that the density of the invariant measure is continuous at Misiurewicz points. From this we deduce that the Lyapunov exponent is also continuous at these points (our considerations apply just to the parameters constructed in the proof of Jakobson's Theorem). Other properties, like the positivity of the Lyapunov exponent, uniqueness of the absolutely continuous invariant measure and exactness of the corresponding dynamical system, are also proved.This paper was written during the author's stay at the IAS while supported by NSF grant DMS-860 1978     

[11]Anthrahelicene on TiO2 surfaces

Helicenes are carbon-rich materials with an ordered structure that possess interesting and remarkable electronic, chiroptical, mechanical and magnetic properties either in bulk or as single molecule devices. We report on the first attempt to anchor and organize [11]anthrahelicene ([11]AH) molecules onto a metal oxide surface. Molecular structures obtained on the (110) and (011) faces of rutile titania are characterized using scanning probe microscopy. On the (110) surface, [11]AH molecules form islands that are comprised of small domains of two types that are mirror reflections of each other and have an ordered quasi-hexagonal lattice. In contrast, molecules form unordered clusters on the (011) surface. Single molecules on both faces are imaged with sub-molecular resolution.