Title : Electronic phenomenological spectroscopy as a new direction in physical chemistry and medicine
Abstract:
The method of electronic phenomenological spectroscopy (EPS) was developed by M.Yu. Dolomatov in the late 1980s. The unusual EPS method is used to determine the physicochemical properties and characteristics of the electronic structure of multicomponent and complex molecular systems. The EPS method is based on determining physicochemical properties using integral quantum characteristics across the entire spectrum range, which includes a set of different electronic states (quantum continuum). This quantum continuum is determined by its physicochemical properties. EFS studies substances as a single entity, without dividing the substance’s spectrum into characteristic frequencies and wavelengths of individual functional groups or components of the system. Relationships have been established between the integral parameters of the spectrum and the properties of multicomponent substances, for example, oil, fuel, biological fluids, and humic components of soil. The so‑called “spectrum‑property” relationship takes the form:
Z = f (θ), (1)
where Z are physicochemical properties;
θ is integral characteristic of the spectrum.
Integral characteristic of the spectrum (integral continuum):
where eλ is molar absorption coefficient;
l1,l2 are boundary wavelengths in UV and visible range.
ESR methods were developed for the identification and simultaneous determination of a number of different physicochemical properties of natural and man‑made multicomponent organic systems, as well as the properties of individual substances. For example, in a few minutes, it is possible to determine such properties of oils as average molecular weight, viscosity, density, thermal stability index, reactivity index of fractions in the processes of coking and thermal cracking, etc. EPR methods can be applied in the oil and petrochemical industry, in environmental monitoring, in biophysics, and in medical diagnostics [1-4]. For example, we examined 100 donors and 180 patients with various diagnoses and concomitant diseases. The integral quantum characteristics of the absorption spectra of aqueous solutions of human blood plasma were determined in the range from 180 to 1080 nm. The differences between the average spectra of blood components in groups of patients (with purulent inflammatory diseases, in a state of therapeutic resuscitation, with renal failure and liver cirrhosis) and the average spectra of blood components in donors became particularly noticeable [4]. This resaults had used for medical diagnostic [4].
