Browsing by Author "Sakhaeinia H."

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Biophysical interface of anti-matter for virtual living in real world: A reality in chemical converted in parallel worlds
(2022-01-01) Monajjemi M.; Kandemirli F.; Sakhaeinia H.; Mollaamin F.
We are going to discuss biology and the biophysical phenomenon of the anti-matters, both experimentally and theoretically or philosophically. Anti-matter is used to treat cancer and thymine dimer problems due to UV radiation. Positrons are beamed through tissue at such velocity that they do not annihilate until they encounter cancer cells. Formed gamma rays damage the cancer tissue. Nowadays, anti-matter is used in positron emission tomography (PET). In evolutionary biology, where we see evidence that consciousness has emerged in at least humans, lifeforms can self-organize to exhibit collective emergent super-consciousness. In this work, we are looking at an ontological explanation of the relationship between the results obtained with the Ecology. The proton transfer mechanism is a critical phenomenon that is related to the acid-base characteristics of the nucleobases in Watson–Crick base pairs. They exhibited a strong probability for protons to change place within the hydrogen bond due to quantum tunneling, which will alter the genetic code and cause mutations. These mutations could be the cause of several diseases such as cancer. Probably, the quantum tunneling effect (such as proton transfer) appears in micro parallel worlds.
Nano-metallic Semiconductor towards the Vibrational Analysis and Harmonic Linear Combination
(2022-05-01) Mollaamin F.; Monajjemi M.; Sakhaeinia H.
Abstract: Nanotechnology is presently dealt with development in the process of becoming an indispensable phenomenon in the engineering and scientific fields. In this work, it has been proved that the (8, 0) zig-zag GaN, GaP, GaAs, InN, InP, and InAs nanotubes can act as semiconductors. For historical reasons, normal mode analysis was originally developed for describing the vibrational spectra of molecules. A very useful approach in the analysis of normal modes is to turn attention away from individual modes and towards the types of motion in the nanotube that one would like to analyze. By calculation of the normal modes using the U matrix, it is possible to get the F matrix from the multiplication of frequency to the U matrix. In this work a complete set of the linear combinations and their normalization coefficients are achieved. The fact that for zigzag tubes, the IR-active modes are different in the (8, 0) zig-zag GaN, GaP, GaAs, InN, InP, and InAs nanotubes and is due to the reduced symmetry for those compounds. In this Letter, a simple yet accurate computational frequency normal mode was derived for estimating the nanotubes that are corresponding with some behavior of them.
Physical Chemistry Study of Graphite Liquid Exfoliation through (π–π) Interaction by (n)-Annulene
(2022-10-01) Monajjemi M.; Mollaamin F.; Najaflou N.; Sakhaeinia H.
Abstract: π–π Non-covalent interaction, especially important in intermolecular interactions involving (n)-Annulene-graphene aromatic rings in particular, is fundamental for exfoliate processes. The work detailed in this study involves the application of electronic structure for illuminating of the (π–π) interactions between (n)-Annulene solvents and graphene sheets. We have simulated the adsorption of several (n)-Annulene and its Aza-bora derivatives on a graphene sheet, using QM/MM method with ONIOM approach. The presences of these compounds significantly alter the overall magnitude of exfoliation due to (π–π) interactions between Annulene solvents and graphene through rising of the strong interactions including π-orbitals of the adsorbent. Adsorption of individual molecules and Aza-bora compound reflects a hierarchical balance of the especial interaction that determines the overall energy of adsorption. In addition, the nucleus independent chemical shifts (NICS) and statistical nucleus chemical shifts (S-NICS) values confirm the amounts of aromaticity and anti-aromaticity in those rings.