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.     

Selective Propargylation of Carbonyl Compounds and Imines with Barium Reagents

A Barbier‐type regioselective propargylation of aldehydes and ketones with (3‐bromobut‐1‐ynyl)trimethylsilane has been achieved using reactive barium as a low‐valent metal in THF. Especially in the case of ketones, the corresponding homopropargylic alcohols form almost exclusively. In the reaction of α,β‐unsaturated carbonyl compounds, only 1,2‐adducts have been observed. This method is also applicable to propargylation of imines, and the corresponding homopropargylic amines are obtained regiospecifically in good yields with diastereomeric ratios of up to 87:13.     

Degree Sums and Covering Cycles

It is shown that if in a simple graph G of order n the sum of degrees of any three pairwise non-adjacent vertices is at least n, then there are two cycles (or one cycle and an edge or a vertex) of GF that contain all the vertices. © 1995 John Wiley & Sons, Inc.     

Prompt Gamma-Ray Analysis of Rats

Prompt -ray analysis with the internal monostandard method was used to organs taken from rats. After B or Cd was administered, the B/H and Cd/H contents ratios were determined in the brain, kidney, and liver to study their distribution and metabolism. Boron was distributed in all organs but metabolized quickly. Cd was slowly accumulated in the liver and kidneys during the 65 hours studied but no Cd was detected in the brain.     

Isomorphic electron orbitals for vibronic flexibility in a cyclopropenyl radical molecular device

Summary The vibronic character of this molecular device has been studied using isomorphic electron orbitals. The leading role of the softest vibrational mode for the electron transport process is stressed by the quantum mechanical treatment of the rearrangement operator. The theory was used to investigate the possible function of the soliton valve, which has been suggested as a switching tip. The electronic flexibility of the cyclopropenyl radical with respect to molecular vibrations, which is important for the function of the molecular device, is well characterized by the hardness and softness of the electron structure in terms of the orbital energy-occupation number correlation diagram.     

Change of concentrations of trace elements and protein contents in the liver of zinc deficient mice

The concentrations of essential trace elements and proteins in cytosolic fraction of hepatic cells of mice fed with Zn-deficient diet (Zn-def, mice) and control were determined by ICP-MS and BCA protein assay method, respectively, after division into forty fractions by gel filtration chromatography. The concentrations of zinc and proteins decreased in the 14–17th fractions of Zn-def, mice, whereas cobalt concentrations increased in the 14, 17, and 18th fractions. However, no significant differences were found on the gel after SDS-PAGE for the 12–21st fractions, although the BCA protein assay date showed the decrease of protein amounts in 13–15th fractions of Zn-def. mice.