Search for the stable state of a short chain in a molecular field

A general approach is developed to search for stable structuresof short chain fragments (e.g. of loops or bound oligopeptides)in a given molecular field. This molecular field is producedby the remaining part of a globule or by any other surface witha defined spatial structure. The fragment must be short enoughto have no pronounced long-range interactions within itself.The method is illustrated by calculation of the 3-D structuresof two loops of bovine pancreatic trypsin inhibitor (BPTI).Computations are based on a lattice model of conformationalspace and on strict and fast algorithms of 1-D statistical mechanicsand dynamic programming (which are very similar in essence).This makes a search of oligopeptide structures only severaltimes (and not several orders of magnitude) longer than thatof a dipeptide.     

Repair of Rotor Shafts by Welding1

Power Technology and Engineering - Research developments on repair techniques and technologies for rotor shafts by welding and surfacing are presented. Most common defects of rotor shafts are...     

Kinetics and Structure of Refractory Compounds and AlloysObtained by Mechanical Alloying

Refractory compounds are material with interesting properties for structural applications. However, the processing of Such material is a great challenge because of their high melting temperature and limited ductility. Mechanical alloying is a novel technique of producing refractory compounds with specific properties. Kinetical and structural peculiarities of refractory compounds and alloys obtained by mechanical alloying are discussed.     

Nanocomposites based on vegetable and mineral raw materials

Two nanocomposite systems—amorphous carbon + nanoparticulate silicon and nanofibrous carbon + nanoparticulate tungsten—have been fabricated from vegetable and mineral raw materials: sphagnum moss, field horsetail, and scheelite. We examine the possibility of using the nanocomposite systems as anode electrodes of lithium-ion polymer batteries.     

Fundamentals of technology of mechanochemical synthesis of titanium carbide using various carbon components

It was established that the main criteria for achieving mechanochemical synthesis in titanium-carbon system represent the structure of carbon modifications and their degree of aromaticity. The promise of the use of soot + graphite carbon composition for the mechanochemical synthesis of titanium carbide is mentioned. It has been shown that titanium carbide synthesized according to this technology has high sorption activity.