Computational Analysis Reveals a Critical Point Mutation in the N-Terminal Region of the Signaling Lymphocytic Activation Molecule Responsible for the Cross-Species Infection with Canine Distemper Virus

Infection of hosts by morbilliviruses is facilitated by the interaction between viral hemagglutinin (H-protein) and the signaling lymphocytic activation molecule (SLAM). Recently, the functional importance of the n-terminal region of human SLAM as a measles virus receptor was demonstrated. However, the functional roles of this region in the infection process by other morbilliviruses and host range determination remain unknown, partly because this region is highly flexible, which has hampered accurate structure determination of this region by X-ray crystallography. In this study, we analyzed the interaction between the H-protein from canine distemper virus (CDV-H) and SLAMs by a computational chemistry approach. Molecular dynamics simulations and fragment molecular orbital analysis demonstrated that the unique His28 in the N-terminal region of SLAM from Macaca is a key determinant that enables the formation of a stable interaction with CDV-H, providing a basis for CDV infection in Macaca. The computational chemistry approach presented should enable the determination of molecular interactions involving regions of proteins that are difficult to predict from crystal structures because of their high flexibility.     

RSOS Models and Jantzen–Seitz Representations of Hecke Algebras at Roots of Unity

A special family of partitions occurs in two apparently unrelated contexts: the evaluation of one-dimensional configuration sums of certain RSOS models, and the modular representation theory of symmetric groups or their Hecke algebras H_m. We provide an explanation of this coincidence by showing how the irreducible H_m-modules which remain irreducible under restriction to H_{m_1} (Jantzen–Seitz modules) can be determined from the decomposition of a tensor product of representations sl_n.     

Joint detection of a given number of reference fragments in a quasi-periodic sequence and its partition into segments containing series of identical fragments

The problem of joint a posteriori detection of reference fragments in a quasi-periodic sequence and its partition into segments containing series of recurring fragments from the reference tuple is solved. It is assumed that (i) an ordered reference tuple of sequences to be detected is given, (ii) the number of desired fragments is known, (iii) the index of the sequence term corresponding to the beginning of a fragment is a deterministic (not random) value, and (iv) a sequence distorted by an additive uncorrelated Gaussian noise is available for observation. It is established that the problem consists in testing a set of hypotheses about the mean of a random Gaussian vector. The cardinality of the set grows exponentially as the vector dimension (i.e., the sequence length) increases. An efficient a posteriori algorithm producing a maximum-likelihood optimal solution to the problem is substantiated. Time and space complexity bounds related to the parameters of the problem are derived. The results of numerical simulation are presented.     

Recent radiochemical studies of the fission process

This article summarizes the recent radiochemical investigations on mass, charge kinetic energy and fragment angular distributions in low energy fission of actinides.     

A New Modal Lindström Theorem

We prove new Lindstr?m theorems for the basic modal propositional language, and for some related fragments of first-order logic. We find difficulties with such results for modal languages without a finite-depth property, high-lighting the difference between abstract model theory for fragments and for extensions of first-order logic. In addition we discuss new connections with interpolation properties, and the modal invariance theorem. Mathematics Subject Classification (2000): Primary 03B45; Secondary 03C95     

Pulsed-Field-Gradient Measurements of Time-Dependent Gas Diffusion

Pulsed-field-gradient NMR techniques are demonstrated for measurements of time-dependent gas diffusion. The standard PGSE technique and variants, applied to a free gas mixture of thermally polarized xenon and O₂, are found to provide a reproducible measure of the xenon diffusion coefficient (5.71 × 10⁻⁶m²s⁻¹for 1 atm of pure xenon), in excellent agreement with previous, non-NMR measurements. The utility of pulsed-field-gradient NMR techniques is demonstrated by the first measurement of time-dependent (i.e., restricted) gas diffusion inside a porous medium (a random pack of glass beads), with results that agree well with theory. Two modified NMR pulse sequences derived from the PGSE technique (named the Pulsed Gradient Echo, or PGE, and the Pulsed Gradient Multiple Spin Echo, or PGMSE) are also applied to measurements of time dependent diffusion of laser polarized xenon gas, with results in good agreement with previous measurements on thermally polarized gas. The PGMSE technique is found to be superior to the PGE method, and to standard PGSE techniques and variants, for efficiently measuring laser polarized noble gas diffusion over a wide range of diffusion times.     

ON THE COHOMOLOGY OF GENERALIZED RESTRICTED LIE ALGEBRAS

0.IntroductionThispaperisaimedatdevelopingthecohomologytheoryofmodularLiealgebrasandthendeterminingthefirstcohomologygroupsofCartantypeLiealgebras.AsgeneralizationoftheconceptofrestrictedLiealgebras,ageneralizedrestrictedLiealgebra(GRLiealgebra)wasintroducedin[21],whichisassociatedwithabasisandamappingofthebasisintotheLiealgebrasatisfyingthegeneralized-restrictednessconditions.Generalizedrestrictedrepresentations(GRrepresentations)werethenintroduced,whichcanbereducedtotherepresentationsofa…     

α—氨基酸的快原子轰击质谱

本文研究了１８种α－氨基酸的快原子轰击质谱，发现添加三氟乙酸溶液能显著提高灵敏度，改善谱图。特征碎片主要有中性丢失ＣＯ２Ｈ２，Ｈ２Ｏ，ＮＨ３的离子以及Ｒ＾＋离子。侧链的性质决定了碎片的产生和离子的强弱。     

Ab initio calculations on large molecules using molecular fragments. Characterization of the zwitterion of glycine

The ab initio molecular fragment approach is applied to a characterization study of the ground state of the zwitterion of glycine. Included among the properties studied are the — conformational energy surface, the electronic structure, and the magnitude and direction of the dipole moment. The results of the present study are compared to the results of other theoretical and experimental studies.This work was supported in part by the National Science Foundation, the University of Kansas, and the Upjohn Company, Kalamazoo, Michigan 49001.NSF Trainee (1969-1972).Alfred P. Sloan Research Fellow (1971–1973).     

LC Packing Materials for Pharmaceutical and Biomedical Analysis

 The author has prepared novel liquid chromatography (LC) packing materials for pharmaceutical and biomedical analysis. Those include LC packing materials for direct serum injection assays of drugs and their metabolites, LC packing materials for resolution of enantiomeric drugs, and uniformly sized molecularly imprinted polymers for drugs and their metabolites.