A new approach to the reduction of sulfoxides to sulfides with 1,3-dithiane in the presence of electrophilic bromine as catalyst

A new, mild, and novel method is described for the efficient deoxygenation of sulfoxides to their corresponding sulfides with 1,3-dithiane at room temperature in the presence of catalytic amounts of N-bromosuccinimide (NBS), 2,4,4,6-tetrabromo-2,5-cyclohexadienone (TABCO), or Br(2) as the source of electrophilic bromine.     

Parallelizing Tabu Search on a Cluster of Heterogeneous Workstations

In this paper, we present the parallelization of tabu search on a network of workstations using PVM. Two parallelization strategies are integrated: functional decomposition strategy and multi-search threads strategy. In addition, domain decomposition strategy is implemented probabilistically. The performance of each strategy is observed and analyzed. The goal of parallelization is to speedup the search in finding better quality solutions. Observations support that both parallelization strategies are beneficial, with functional decomposition producing slightly better results. Experiments were conducted for the VLSI cell placement, an NP-hard problem, and the objective was to achieve the best possible solution in terms of interconnection length, timing performance (circuit speed), and area. The multiobjective nature of this problem is addressed using a fuzzy goal-based cost computation.     

The semiclassical regime of the chaotic quantum-classical transition

An analysis of the semiclassical regime of the quantum-classical transition is given for open, bounded, one-dimensional chaotic dynamical systems. Environmental fluctuations-characteristic of all realistic dynamical systems-suppress the development of a fine structure in classical phase space and damp nonlocal contributions to the semiclassical Wigner function, which would otherwise invalidate the approximation. This dual regularization of the singular nature of the semiclassical limit is demonstrated by a numerical investigation of the chaotic Duffing oscillator.     

Chiral recognition by proton transfer reactions with optically active amines and alcohols

A simple, rapid tandem mass spectrometric method for recognition of chiral molecules by proton transfer reactions with chiral sec-butylamines and sec-butanols is reported.     

Synthesis of new 3'-, 5-, and N(4)-modified 2'-O-methylcytidine libraries on solid support

A versatile solid phase combinatorial approach was developed and utilized for the rapid synthesis of new 2'-O-methylcytidine nucleoside libraries 1-7 containing 672 compounds with 3'-deoxy-3'-C-methyl, 3'-deoxy-3'-C-hydroxymethyl, and 5-alkyl/alkynyl modifications. The modified uridine scaffolds 8-10, 23-25, and 31 were loaded onto the 4-methoxytrityl chloride (MMT-Cl) polystyrene resin through the hydroxyl groups at the 5'-position as well as on the substituents at the 3'- and 5-positions. The scaffolds loaded on the resin were orthogonally protected by MMT group on the resin itself and TBDMS or acetyl protecting groups. The 4-position of the uridine derivatives was activated by 2,4,6-triisopropyl benzene sulfonyl chloride for further derivatization. The resins 14-16, 28-30, and 32 loaded with the corresponding activated scaffolds were reacted with the selected and validated amino building blocks in the 96 well format on the semiautomated synthesizer. The high-quality 2'-O-methylcytidine libraries 1-7 were thus generated and characterized by liquid chromatography-mass spectrometry (LC-MS) analysis with 63-99% successful rates.     

Isolation and structure determination of a novel furanic ester from the aerial part of Prasium majus

The aerial part of Prasium majus provided a new furanic ester, 2-2-[(5-formyl-6[(5-formylfuran-2-yl)methoxy] succinic acid dimethyl ester, (+/-)-hiziprafuran. Its structure was principally established by one- and two-dimensional NMR spectroscopy.     

Continuous quantum measurement and the emergence of classical chaos

We formulate the conditions under which the dynamics of a continuously measured quantum system becomes indistinguishable from that of the corresponding classical system. In particular, we demonstrate that even in a classically chaotic system the quantum state vector conditioned by the measurement remains localized and, under these conditions, follows a trajectory characterized by the classical Lyapunov exponent.     

Prediction of risers’ tubes temperature in water tube boilers

A dynamic model is developed which enables the prediction of risers’ tubes temperature of water tube boilers under various operating conditions. The model is composed of fluid dynamics model representing the fluid flow in the drum-downcomer-riser loop and a dynamic thermal model of the riser’s temperature. The model gives a detailed account of the two-phase heat transfer process which takes place between the risers’ inner walls and the water–steam mixture flow inside the tubes. The model is used to simulate various operational scenarios of water tube boilers. Results of the simulation provide insight into the dynamic interactions of the boiler’s main variables including the drum pressure, water volume, steam quality and risers’ temperature. Such a model is useful in checking operational scenarios before their actual plant implementation, can be a basis for developing boiler start up procedures and online temperature predictions to prevent eminent tube overheating.