Synthesis of novel iodo derived bicalutamide analogs

A series of optically active nonsteroidal selective androgen receptor modulators with structures analogous to bicalutamide was prepared by replacing the trifluoromethyl group with iodine and the sulfonyl linker by oxygen.     

A new synthesis of lysergic acid

[reaction: see text] (+/-)-Lysergic acid has been synthesized via an economical 8-step route from 4-bromoindole and isocinchomeronic acid without the need to protect the indole during the synthesis. Initial efforts to form the simpler 3-acylindole derivatives first and then cyclize these were unsuccessful in the cyclization step.     

Recent trends in mass spectrometer development

Trends in mass analyzer development are reviewed here with an emphasis on tandem mass spectrometers. The move toward hybridization of conventional mass analyzers to allow additional instrument functionality in tandem mass spectrometry is discussed.     

The 3-Connected Graphs with Exactly Three Non-Essential Edges

An edge e of a simple 3-connected graph G is essential if neither the deletion G\e nor the contraction G/e is both simple and 3-connected. Tuttes Wheels Theorem proves that the only simple 3-connected graphs with no non-essential edges are the wheels. In earlier work, as a corollary of a matroid result, the authors determined all simple3-connected graphs with at most two non-essential edges. This paper specifies all such graphs with exactly three non-essential edges. As a consequence, with the exception of the members of 10 classes of graphs, all 3-connected graphs have at least four non-essential edges.Acknowledgments The first author was partially supported by grants from the National Security Agency. The second author was partially supported by the Office of Naval Research under Grant No. N00014-01-1-0917.1991 Mathematics Subject Classification: 05C40Final version received: October 30, 2003     

Stabilization and H{infty} control of two-dimensional Markovian jump systems

This paper extends the results obtained for one-dimensionalMarkovian jump systems, to investigate the problems of stochasticstabilization and H control of two-dimensional (2D) systemswith Markovian jump parameters. The mathematical model of 2Djump systems is established upon the well-known Roesser model,and sufficient conditions are obtained for the existence ofdesired controllers in terms of linear matrix inequalities,which can be readily solved by available numerical software.These obtained results are further extended to more generalcases whose system matrices also contain parameter uncertaintiesrepresented by either polytopic or norm-bounded approaches.A numerical example is provided to show the applicability ofthe proposed theories.     

Bayesian ensemble approach to error estimation of interatomic potentials

Using a Bayesian approach a general method is developed to assess error bars on predictions made by models fitted to data. The error bars are estimated from fluctuations in ensembles of models sampling the model-parameter space with a probability density set by the minimum cost. The method is applied to the development of interatomic potentials for molybdenum using various potential forms and databases based on atomic forces. The calculated error bars on elastic constants, gamma-surface energies, structural energies, and dislocation properties are shown to provide realistic estimates of the actual errors for the potentials.     

Accurate SVDs of weakly diagonally dominant M-matrices

Summary. We present a new O(n³) algorithm which computes the SVD of a weakly diagonally dominant M-matrix to high relative accuracy. The algorithm takes as an input the offdiagonal entries of the matrix and its row sums.Mathematics Subject Classification (1991): 65F15Revised version received September 19, 2003This material is based in part upon work supported by the LLNL Memorandum Agreement No. B504962 under DOE Contract No. W-7405-ENG-48, DOE Grants No. DE-FG03-94ER25219, DE-FC03-98ER25351 and DE-FC02-01ER25478, NSF Grant No. ASC-9813362, and Cooperative Agreement No. ACI-9619020.     

Finite element approximation of a nonlinear cross-diffusion population model

Summary. We consider a fully discrete finite element approximation of the nonlinear cross-diffusion population model: Find u_i, the population of the i^th species, i=1 and 2, such that where ji and g_i(u₁,u₂):=(_i–_iiu_i–_iju_j)u_i. In the above, the given data is as follows: v is an environmental potential, c_i, a_i are diffusion coefficients, b_i are transport coefficients, _i are the intrinsic growth rates, and _ii are intra-specific, whereas _ij, ij, are interspecific competition coefficients. In addition to showing well-posedness of our approximation, we prove convergence in space dimensions d3. Finally some numerical experiments in one space dimension are presented.Mathematics Subject Classification (2000): 65M60, 65M12, 35K55, 92D25Acknowledgements. Part of this work was carried out while the authors participated in the 2003 programme {\it Computational Challenges in Partial Differential Equations} at the Isaac Newton Institute, Cambridge, UK.     

A new approximation technique for div-curl systems

In this paper, we describe an approximation technique for div-curl systems based in where is a domain in . We formulate this problem as a general variational problem with different test and trial spaces. The analysis requires the verification of an appropriate inf-sup condition. This results in a very weak formulation where the solution space is and the data reside in various negative norm spaces. Subsequently, we consider finite element approximations based on this weak formulation. The main approach of this paper involves the development of ``stable pairs" of discrete test and trial spaces. With this approach, we enlarge the test space so that the discrete inf-sup condition holds and we use a negative-norm least-squares formulation to reduce to a uniquely solvable linear system. This leads to optimal order estimates for problems with minimal regularity which is important since it is possible to construct magnetostatic field problems whose solutions have low Sobolev regularity (e.g., with ). The resulting algebraic equations are symmetric, positive definite and well conditioned. A second approach using a smaller test space which adds terms to the form for stabilization will also be mentioned. Some numerical results are also presented.