Lora S. Nikolaeva

Lora S. Nikolaeva

к.х.н., с.н.с

Контактная информация:

SCOPUS

Short Bio: Date of birth 28.03.1939. Place of birth – Kalinin, USSR; graduated from Lomonosov Moscow State University, Mechanics and Mathematics Department in 1961. Work at Lomonosov Moscow State University, Chemistry Department from 1967. 1967-1977 – Senior engineer, 1977 – 1987 – Junior Research Fellow, 1987-Scientific Research Fellow, since 1988 – Senior Research Fellow. PhD in Physical Chemistry (1976), Diploma of Senior Research Fellow (1990).

Main results achieved:
A new method of the mathematical simulation of chemical equilibria in multicomponents solution has been developed. It is based on the 3 following grounds:

  • equilibria conditions of a physical-chemical system in dual space of chemical potentials of components are described in terms of the theorems of convex programming;
  • initial approximations of chemical potentials and equilbria constants providing accident-free solutions of “ forward” and “inverse” tasks are elaborated;
  • methods of the mathematical statistic are used to estimate model parametrs and to develop criteria and algorithms of sequential discrimination of models. It enables to choose the most probable molecular composition of solution from the range of possible molecular forms.

A new computer program AUTOEQUIL for the calculation of such equilibria has been developed and used. The Sertificates of application of this program in three Sientific Institutes have been recieved.

A new method of the computer simulation of chemical equilibria in multicomponent biological liquids has been developed. It has been used to calculate the metal-ion equi-libria in blood plasma in case of the inclusion of the exogenous components in plasma for the investigation of anticoagulant activity of these exogenous components (ligands). The main idea of the method is a step-by-step identification of chemical reaction products of significant concentration and their sequential including in the model. The identification is based on the database of plasma equilibria, which is integrated with the AUTOEQUIL.

Joint investigstions with Department of Chemistry of Tver State University and Biology Department of Lomonosov Moscow State University have been made. The goal was to find the anticoagulant blood preparations based on complex of geparin with components strengthening anticoagulant activity of geparin. The results have been confirmed by biochemichal experiments in vitro and in vivo on the representative sample of blood plasma of laboratorial rats. Biochemical analysis test have been made.

Prize of the USSR Mendeleev Chemical Society (1980).