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2021 ◽  
Author(s):  
Andrey Chernov

Abstract The aim of this scientific study was to obtain a new physical formula for determining the refractive indices of light as a function of wavelength, which can be applied to the widest range of transparent substances. This study was based on the hypothesis of the dependence of the speed of propagation of photons inside matter on the density of electron clouds of atoms of matter. In the course of research on the basis of Einstein's relativistic formula, this dispersion formula was obtained. The new physical formula was used to calculate 26 refractive indices of light in 5 transparent substances in three states of aggregation. Comparison of the obtained indicators with laboratory indicators showed the high accuracy of the new dispersion formula, which amounted to T10 -7h10 -5 in the calculated wavelength ranges of more than 100 nm. The successful application of the relativistic formula to processes occurring at the atomic level allows us to look at the nature of the interaction of light and matter from a new angle.


2021 ◽  
Author(s):  
Andrey Chernov

Abstract The aim of this scientific study was to obtain a new physical formula for determining the refractive indices of light as a function of wavelength, which can be applied to the widest range of transparent substances. This study was based on the hypothesis of the dependence of the speed of propagation of photons inside matter on the density of electron clouds of atoms of matter. In the course of research on the basis of Einstein's relativistic formula, this dispersion formula was obtained. The new physical formula was used to calculate 26 refractive indices of light in 5 transparent substances in three states of aggregation. Comparison of the obtained indicators with laboratory indicators showed the high accuracy of the new dispersion formula, which amounted to T10 -7h10 -5 in the calculated wavelength ranges of more than 100 nm. The successful application of the relativistic formula to processes occurring at the atomic level allows us to look at the nature of the interaction of light and matter from a new angle.


2021 ◽  
Author(s):  
Andrey Chernov

Abstract The aim of the study was to obtain a new physical formula for determining the refractive indices of light as a function of wavelength, which can be applied to a wide range of transparent substances. In the process of research on the basis of Einstein's relativistic formula, such a dispersion formula was obtained. Comparison of the obtained indicators with laboratory indicators showed the high accuracy of the new dispersion formula, which was ±10 -7 − 10 -5 in the calculated wavelength ranges of more than 100 nm.The new dispersion formula is obtained on the basis of the mathematical dependence of the speed of propagation of photons in a transparent substance on the energy density of electron clouds of atoms of the substance. Energy is a universal category, therefore, it is possible to apply the basic version of the new formula (where instead of the wavelength there is the energy density of electron clouds) when conducting research in all areas of light generation, manipulation and detection.And, finally, the very fact of applying the adapted relativistic Einstein's formula to physical processes occurring at the atomic level allows us to look at the nature of the interaction of light and matter from a new angle.


2021 ◽  
Author(s):  
Andrey Chernov

Abstract The aim of the study was to obtain a new physical formula for determining the refractive indices of light as a function of wavelength, which can be applied to a wide range of transparent substances. In the process of research on the basis of Einstein's relativistic formula, such a dispersion formula was obtained. Comparison of the obtained indicators with laboratory indicators showed the high accuracy of the new dispersion formula, which was ±10 -7-10 -5 in the calculated wavelength ranges of more than 100 nm. The new dispersion formula is obtained on the basis of the mathematical dependence of the speed of propagation of photons in a transparent substance on the energy density of electron clouds of atoms of the substance. Energy is a universal category, therefore, it is possible to apply the basic version of the new formula (where instead of the wavelength there is the energy density of electron clouds) when conducting research in all areas of light generation, manipulation and detection. And, finally, the very fact of applying the adapted relativistic Einstein's formula to physical processes occurring at the atomic level allows us to look at the nature of the interaction of light and matter from a new angle.


Author(s):  
Shivananda Kandagalla ◽  
Hrvoje Rimac ◽  
Vladimir A Potemkin ◽  
Maria A Grishina

The complementarity principle is a well-established concept in the field of chemistry and biology. This concept is widely studied as the lock-and-key relationship between two structures, such as enzyme and ligand interactions. These interactions are based on the overlap of electron clouds between two structures. In this study, a mathematical relation determining complementarity of intermolecular contacts in terms of overlaps of electron clouds was examined using a quantum orbital-free AlteQ method developed in-house for 64 EGFR–ligand complexes with experimentally measured binding affinity data. A very high correlation was found between the overlap of ligand and enzyme electron clouds and the calculated terms, providing a good basis for prognosis of bioactivity and for molecular docking studies.


2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Jagadeesan Saranya ◽  
Kandikonda Lavanya ◽  
Meduri Haritha Kiranmai ◽  
Ram Subbiah ◽  
Abdelkader Zarrouk ◽  
...  

Abstract There are collective data about the scope of various corrosion inhibitors viz., polymers, plant extracts, inorganic compounds, ionic liquids, organic molecules with hetero atoms, and π-electron clouds have been reported so far on the corrosion prevention of various metals in various corrosive media. Many reviews of literature related to organic inhibitors have been accounted for their classification, application, and mechanism of their inhibition on metals. A mini-review with specific reference to quinoxaline derivatives is summarized in this manuscript.


Author(s):  
Giovanni Iadarola ◽  
Lotta Mether ◽  
Nicolas Mounet ◽  
Luca Sabato
Keyword(s):  

2020 ◽  
Vol 12 (15) ◽  
pp. 1387-1397
Author(s):  
Hrvoje Rimac ◽  
Maria A Grishina ◽  
Vladimir A Potemkin

Background: A principle of complementarity is a well-established concept in chemistry and biology. This concept is based on the overlap of electron clouds of the molecules in question. Materials & methods: In this article, one such approach (an in-house developed quantum free-orbital AlteQ method) was used to evaluate the complementarity of 51 CDK–ligand complexes. Results: A significant universally applicable correlation (adjusted R2 = 0.9749; p < 2.2 × 10-16) relating the product of ligand and enzyme electron densities to the product of distances between the contacting atomic centers and the type of atoms involved in the interaction was found. Conclusion: The terms calculated in this article can provide a good basis for prognosis of bioactivity and scientifically based molecular docking.


Biosystems ◽  
2019 ◽  
Vol 183 ◽  
pp. 103982 ◽  
Author(s):  
Roman R. Poznanski ◽  
Lleuvelyn A. Cacha ◽  
Ahmad Z.A. Latif ◽  
Sheik H. Salleh ◽  
Jalil Ali ◽  
...  

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