Theoretical and Computational Evaluation of the Use of Molecular Nanoelectronic Technology in Targeted Monitoring of Electrical Brain Waves

Today, nerve cells can be studied using nanotechnology (molecular nanoelectronics). Studies have shown that disturbances in the normal functioning of brain cells can lead to neuropsychiatry attacks. One of the most common diseases (disorders) of the nervous system of the brain is epileptic seizures. In this case, due to electrical discharge of a group of brain neurons, the electrical potential of the brainwave thresholds is higher than normal, which can cause seizures or seizures in the patient. Therefore, the aim of this study was to determine and evaluate theoretically and computationally the use of molecular nanoelectronic technology in the purposeful observation of electrical waves in the brain.

In the present theoretical-computational study conducted at Qom University in 2020, a molecular system for the detection of destructive electrical waves in the brain (waves beyond the threshold of normal brain waves) in patients with epilepsy was discussed. In this regard, several molecular systems such as; Wires, switches, and molecular memory were proposed to monitor electrical waves in the brain. This molecular circuit could be used to predict times close to neuro-cerebral attacks. In this regard, using the quantum theory of density citizenship (at the computational level of DFT-B3LYP / 6-31G), some electronic properties of molecular systems were studied. Gaussian quantum software (G09) was also used to perform the calculations. In this regard, in the absence and the presence of an external electric field, the molecular structure was optimized. Then the electron wave function of the proposed molecular components was investigated. The obtained data here were analyzed using Gaussian (G09) and GaussView(GV5) quantum software.

The results of the present theoretical-computational (non-clinical) study revealed that the design of molecular systems (components) with the ability to respond to brain waves was possible. Calculations indicated that all nanomaterials used in this molecular system could function within the range of brain waves. Therefore, during the occurrence of neuro-cerebral attacks, they can alert the person or those around him by informing him of the occurrence of these attacks.

Based on the results gained from the present study, it possible to design devices and equipment for Nanomedicine (such as warning systems for neurological and heart attacks) payment. In this regard, molecular electronic knowledge can be used, such molecular devices can open new horizons in improving the quality of treatment and life of neurological patients.