The stimulated raman scattering process for possible use in photoselective isotope enrichment

The process of stimulated Raman scattering (SRS) is discussed as a means of achieving sizeable transient populations in the first vibrationally excited state of one species out of an isotopic mixture. This may be useful for photoselective isotope enrichment schemes. The main advantage of SRS excitation is the possibility of using one fixed-wavelength laser for the study of various compounds; also there is an inherent tendency to selectivity in SRS since the more abundant species in an isotopic mixture will show a higher gain for SRS. Sample calculations are presented showing Q-switched solid-state lasers to be good sources for selective excitation of gaseous mixtures, while mode-locked laser pulses are required for liquid samples.     

A parallel implementation of the COLUMBUS multireference configuration interaction program

Summary In this work a parallel implementation of the COLUMBUS MRSDCI program system is presented. A coarse grain parallelization approach using message passing via the portable toolkit TCGMSG is used. The program is very well portable and runs on shared memory machines like the Cray Y-MP, Alliant FX/2800 or Convex C2 and on distributed memory machines like the iPSC/860. Further implementations on a network of workstations and on the Intel Touchstone Delta are in progress. Overall, results are quite satisfactory considering the complexity and the prodigious requirements, especially the I/O bandwidth, of MRCI programs in general. For our largest test case we obtain a speedup of a factor of 7.2 on an eight processor Cray Y-MP for that section of the program (hamiltonian matrix times trial vector product) which has been parallelized. The speedup for one complete diagonalization iteration amounts to 5.9. An absolute speed close to 1 GFLOPS is found. Results for the iPSC/860 show that ordinary disk I/O is certainly not sufficient in order to guarantee a satisfactory performance. As a solution for that problem, the implementation of a fully asynchronous distributed-memory model for certain data files is in preparation. On leave from: Bereich Informatik, Universität Leipzig, Augustusplatz 10/11, O-7010 Leipzig, Germany     

A peptide-derived strategy for specifically targeting the mitochondria and ER of cancer cells: a new approach in fighting cancer

An effective anti-cancer therapy should exclusively target cancer cells and trigger in them a broad spectrum of cell death pathways that will prevent avoidance. Here, we present a new approach in cancer therapy that specifically targets the mitochondria and ER of cancer cells. We developed a peptide derived from the flexible and transmembrane domains of the human protein NAF-1/CISD2. This peptide (NAF-1^44-67) specifically permeates through the plasma membranes of human epithelial breast cancer cells, abolishes their mitochondria and ER, and triggers cell death with characteristics of apoptosis, ferroptosis and necroptosis. In vivo analysis revealed that the peptide significantly decreases tumor growth in mice carrying xenograft human tumors. Computational simulations of cancer vs. normal cell membranes reveal that the specificity of the peptide to cancer cells is due to its selective recognition of their membrane composition. NAF-1^44-67 represents a promising anti-cancer lead compound that acts via a unique mechanism.

An effective anti-cancer therapy should exclusively target cancer cells and trigger in them a broad spectrum of cell death pathways that will prevent avoidance.     

Denominators for the Poincaré series of invariants of matrices with involution

The goal of this paper is to study some Poincaré series associated to the invariants of the symplectic and odd orthogonal groups. These series turn out to be rational functions and our main results will describe the denominators. This work will generalize some known results on the invariants of the general linear groups. In addition to whatever intrinsic interest we hope our results may have, the subject involves an interesting interplay of invariant theory and complex variables. The first author gratefully acknowledges Support from DePaul University Research Council. The second author was supported in part by the Israel Science Foundation, founded by the Israel Academy of Sciences and Humanities, and by an Internal Research Grant from Bar-Ilan University.     

On multivariate approximation by integer translates of a basis function

Approximation properties of the dilations of the integer translates of a smooth function, with some derivatives vanishing at infinity, are studied. The results apply to fundamental solutions of homogeneous elliptic operators and to “shifted” fundamental solutions of the iterated Laplacian. Following the approach from spline theory, the question of polynomial reproduction by quasi-interpolation is addressed first. The analysis makes an essential use of the structure of the generalized Fourier transform of the basis function. In contrast with spline theory, polynomial reproduction is not sufficient for the derivation of exact order of convergence by dilated quasi-interpolants. These convergence orders are established by a careful and quite involved examination of the decay rates of the basis function. Furthermore, it is shown that the same approximation orders are obtained with quasi-interpolants defined on a bounded domain. Supported in part by the United States under contract No. DAAL-87-K-0030, and by Carl de Boor’s Steenbock Professorship, University of Wisconsin-Madison.     

Optimal fractional matchings and covers in infinite hypergraphs: Existence and duality

We study fractional matchings and covers in infinite hypergraphs, paying particular attention to the following questions: Do fractional matchings (resp. covers) of maximal (resp. minimal) size exist? Is there equality between the supremum of the sizes of fractional matchings and the infimum of the sizes of fractional covers? (This is called weak duality.) Are there a fractional matching and a fractional cover that satisfy the complementary slackness conditions of linear programming? (This is called strong duality.) In general, the answers to all these questions are negative, but for certain classes of infinite hypergraphs (classified according to edge cardinalities and vertex degrees) we obtain positive results. We also consider the question of the existence of optimal fractional matchings and covers that assume rational values.     

Fourier analysis of the approximation power of principal shift-invariant spaces

The approximation order provided by a directed set {S _h } _h>0 of spaces, each spanned by thehZ ^d -translates of one function, is analyzed. The nearoptimal approximants of [R2] from eachs _h to the exponential functions are used to establish upper bounds on the approximation order. These approximants are also used on the Fourier transform domain to yield approximations for other smooth functions, and thereby provide lower bounds on the approximation order. As a special case, the classical Strang-Fix conditions are extended to bounded summable generating functions.The second part of the paper consists of a detailed account of various applications of these general results to spline and radial function theory. Emphasis is given to the case when the scale {s _h } is obtained froms ₁ by means other than dilation. This includes the derivation of spectral approximation orders associated with smooth positive definite generating functions.     

The wavelet dimension function is the trace function of a shift-invariant system

In this note, we observe that the dimension function associated with a wavelet system is the trace of the Gramian fibers of the shift-invariant system generated by the negative dilations of the mother wavelets. When this shift-invariant system is a tight frame, each of the Gramian fibers is an orthogonal projector, and its trace, then, coincides with its rank. This connection leads to simple proofs of several results concerning the dimension function, and the arguments extend to the bi-frame case.

     

Super-Resolved Raman Spectroscopy

In this paper we present a super-resolved Raman spectroscopy configuration where, due to the proposed resolution improvement, more chemical species can be simultaneously detected. The idea includes usage of the basic property of Raman in which shifting the excitation wavelength will shift the absolute wavelength of the Raman spectral lines. Thus, encoding the spectra prior to analysis by the spectrometer allows obtaining spectral super-resolved sensing via time multiplexing super-resolution concepts applied over the spectral domain.