Transversely holomorphic structures with many invariant hypersurfaces

In this paper we show that a transversely holomorphic foliation in a compact manifold $M$ having an infinite number of invariant hypersurfaces admits a basic transversely meromorphic first integral $f:M?\overline{\mathbb{C}}$.     

Rotationally resolved electronic spectra of 2- and 3-methylanisole in the gas phase: a study of methyl group internal rotation

Rotationally resolved fluorescence excitation spectra of several torsional bands in the S1 <-- S0 electronic spectra of 2-methylanisole (2MA) and 3-methylanisole (3MA) have been recorded in the collision-free environment of a molecular beam. Some of the bands can be fit with rigid rotor Hamiltonians; others exhibit perturbations produced by the coupling between the internal rotation of the methyl group and the overall rotation of the entire molecule. Analyses of these data show that 2MA and 3MA both have planar heavy-atom structures; 2MA has trans-disposed methyl and methoxy groups, whereas 3MA has both cis- and trans-disposed substituents. The preferred orientations (staggered or eclipsed) in two of the conformers and the internal rotation barriers of the methyl groups in all three conformers change when they are excited by light. Additionally, the values of the barriers opposing their motion depend on the relative positions of the substituent groups, in both electronic states. In contrast, no torsional motions of the attached methoxy groups were detected. Possible reasons for these behaviors are discussed.     

Froc: a new fluorous protective group for peptide and oligosaccharide synthesis

[STRUCTURE: SEE TEXT] The synthesis of a new fluorous protecting group, Froc, is described. This new fluorous tag has been used in peptide and carbohydrate synthesis by our group and readily allows us to fully characterize each product (NMR, MS) and monitor each synthetic step by TLC. Purification of the products is generally performed by standard fluorous solid-phase extraction techniques (e.g., F-SPE), but standard chromatographic purifications are also possible if required.     

Parametric amplification of the dynamic radiation force of acoustic waves in fluids

We report on parametric amplification in dynamic radiation force produced by a bichromatic acoustic beam in a fluid. To explain this effect we develop a theory taking into account the nonlinearity of the fluid. The theory is validated through an experiment to measure the dynamic radiation force on an acrylic sphere. Results exhibit an amplification of 66 dB in water and 80 dB in alcohol as the difference of the frequencies is increased from 10 Hz to 240 kHz.     

Recognizing near-bipartite Pfaffian graphs in polynomial time

A matching covered graph is a non-trivial connected graph in which every edge is in some perfect matching. A non-bipartite matching covered graph G is near-bipartite if there are two edges e₁ and e₂ such that G−e₁−e₂ is bipartite and matching covered. In 2000, Fischer and Little characterized Pfaffian near-bipartite graphs in terms of forbidden subgraphs [I. Fischer, C.H.C. Little, A characterization of Pfaffian near bipartite graphs, J. Combin. Theory Ser. B 82 (2001) 175-222.]. However, their characterization does not imply a polynomial time algorithm to recognize near-bipartite Pfaffian graphs. In this article, we give such an algorithm.We define a more general class of matching covered graphs, which we call weakly near-bipartite graphs. This class includes the near-bipartite graphs. We give a polynomial algorithm for recognizing weakly near-bipartite Pfaffian graphs. We also show that Fischer and Little’s characterization of near-bipartite Pfaffian graphs extends to this wider class.     

Existence of a solution for a thermoelectric model with several phase changes and a Carathéodory thermal conductivity

We present an existence result for the time domain eddy current model for electromagnetic field, coupled with a Stefan problem for temperature. We have extended the existence result proved by Bermúdez et al. (2005) [40] to the case of materials with several phase changes and thermal conductivity depending on both position and temperature.The new proof starts from a totally implicit time discretization of a truncated system. The thermal part can be rewritten as a variational inequality of the second kind. Then, a priori estimates independent of the truncation parameter are obtained for the solution of the truncated problem, using a technique that adapts the method of Boccardo and Gallouët (1989)  [28] to the case of materials with several phase changes.     

Synthesis of Sulfonimidamides from Sulfenamides via an Alkoxy‐amino‐λ6‐sulfanenitrile Intermediate

Sulfonimidamides are intriguing new motifs for medicinal and agrochemistry, and provide attractive bioisosteres for sulfonamides. However, there remain few operationally simple methods for their preparation. Here, the synthesis of NH‐sulfonimidamides is achieved directly from sulfenamides, themselves readily formed in one step from amines and disulfides. A highly chemoselective and one‐pot NH and O transfer is developed, mediated by PhIO in iPrOH, using ammonium carbamate as the NH source, and in the presence of 1 equivalent of acetic acid. A wide range of functional groups are tolerated under the developed reaction conditions, which also enables the functionalization of the antidepressants desipramine and fluoxetine and the preparation of an aza analogue of the drug probenecid. The reaction is shown to proceed via different and concurrent mechanistic pathways, including the formation of novel S≡N sulfanenitrile species as intermediates. Several alkoxy‐amino‐λ⁶‐sulfanenitriles are prepared with different alcohols, and shown to be alkylating agents to a range of nucleophiles.     

WavePacket: A Matlab package for numerical quantum dynamics. III. Quantum-classical simulations and surface hopping trajectories

WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I (Schmidt and Lorenz, Comput. Phys. Commun. 2017, 213, 223] and Part II (Schmidt and Hartmann, Comput. Phys. Commun. 2018, 228, 229] which dealt with quantum dynamics of closed and open systems, respectively, the present Part III adds fully classical and mixed quantum-classical propagation techniques to WavePacket. There classical phase-space densities are sampled by trajectories which follow (diabatic or adiabatic) potential energy surfaces. In the vicinity of (genuine or avoided) intersections of those surfaces, trajectories may switch between them. To model these transitions, two classes of stochastic algorithms have been implemented: (1) Tully's fewest switches surface hopping and (2) Landau–Zener-based single switch surface hopping. The latter one offers the advantage of being based on adiabatic energy gaps only, thus not requiring nonadiabatic coupling information any more. The present work describes the MATLAB version of WavePacket 6.1.0, which is essentially an object-oriented rewrite of previous versions, allowing to perform fully classical, quantum-classical and quantum-mechanical simulations on an equal footing, that is, for the same physical system described by the same WavePacket input. The software package is hosted and further developed at the Sourceforge platform, where also extensive Wiki-documentation as well as numerous worked-out demonstration examples with animated graphics are available. © 2019 Wiley Periodicals, Inc.