Isometries,submetries and distance coordinates on Finsler manifolds

This paper considers fundamental issues related to Finslerian isometries, submetries, distance and geodesics. It is shown that at each point of a Finsler manifold there is a distance coordinate system. Using distance coordinates, a simple proof is given for the Finslerian version of the Myers–Steenrod theorem and for the differentiability of Finslerian submetries.     

Preparation and characterization by infrared emission spectroscopy and applications of new mineral-based composite materials of biomedical interest

New composite materials based on clay minerals had been prepared by reductive calcination. These materials exhibit very strong infrared (IR) emission at quite low temperatures. The structural properties and emission capabilities of the new materials have been studied by various theoretical and experimental methods. In addition, a brief overview of the medical and other practical applications of IR-emitting materials is presented. The basic principles of IR emission spectroscopy are discussed with special respect to low temperatures (close to human-body temperature). Furthermore, DFT calculations on a kaolinite structure of chemical composition of [Al₄Si₄ O₈(OH)₁₆]^4? have been performed. The calculated bond distances and IR spectrum are in good agreement with experimental observations. Structural and compositional characterization of the new composite materials have been performed by various structural analytical methods. An interesting effect on the IR phosphorescence of composite samples has been established. After 2 hours of IR light exposure at room temperature from the FT-IR spectrometer, the composite materials exhibited enhanced emission of IR radiation with relaxation time about 40 min. Finally, two practical applications of the composites have been investigated, namely polyamide-based fabrics and rubber preservatives.     

Optimal position of solute for simulations

It is shown that, by optimizing the placement of a solute in a solvent droplet or in a periodic simulation cell, the number of solvent molecules can be reduced without affecting the quality of the simulation. © 1997 by John Wiley & Sons, Inc. J Comput Chem 18: 812–815, 1997     

Syntheses of new conformationally constrained S‐[2‐[(1‐iminoethyl)amino] ethyl]homocysteine derivatives as potential nitric oxide synthase inhibitors

The efficient syntheses of two new types of conformationally constrained S‐[2‐[(1‐iminoethyl)amino]ethyl]homocysteine derivatives, 1‐amino‐3‐[2[(1‐iminoethyl)amino]ethylthio]cyclobutane carboxylic Acid ( 5 ) and (4S)‐4‐[[2‐[(1‐Iminoethyl)amino]ethyl]thio]‐L‐proline ( 6 ), are reported. These molecules represent the first attempts to probe conformational constraint near the α‐amino acid moiety of known homocysteine‐based inhibitors of nitric oxide synthase. Targets 5 and 6 were evaluated as potential inhibitors of the three human isoforms of nitric oxide synthase. © 2002 John Wiley & Sons, Inc. Heteroatom Chem 13:77–83, 2002; DOI 10.1002/hc.1109