Abstract
Abstract Dopamine is considered an important molecule that plays several essential roles in the human body, and herein lies the key to this paper on the electronic and optical properties of dopamine and its derivatives, such as quinone and L-dihydroxyphenylalanine (L-DOPA), using DFT and TD-DFT methods, respectively. Our findings show that dopamine has a dielectric behavior, whereas quinone and L-DOPA have semiconductor behaviors in the ground and excited states. By computing the optical properties, we disclose that the electronic transition spectrum of dopamine, quinone and L-DOPA are observed in the ultra-violet region, visible spectrum, and (ultraviolet and visible regions), respectively. Other properties, such as ionization potential, electronic affinity, hardness and softness are also calculated due to their importance in sensor applications and sensing.
Highlights
IntroductionDopamine (3,4-Dihydroxyphenethylamine) might be considered one of the hormone and generality essential neurotransmitters that work as a messenger with regard to synaptic transmission in the brain and body
Organic electronic and optical properties are enabling significant advances in the fields of materials science, handling the creation of potential materials of inexpensive produce and straightforward for much of devices, such as solar photovoltaic or light-emitting diodes (LEDs) [1,2,3].Dopamine (3,4-Dihydroxyphenethylamine) might be considered one of the hormone and generality essential neurotransmitters that work as a messenger with regard to synaptic transmission in the brain and body
Our findings show that dopamine has a dielectric behavior, whereas quinone and L-DOPA have semiconductor behaviors in the ground and excited states
Summary
Dopamine (3,4-Dihydroxyphenethylamine) might be considered one of the hormone and generality essential neurotransmitters that work as a messenger with regard to synaptic transmission in the brain and body. It represents a major trait in learning, motor control, motivation, attention, etc. The ability to monitor both dopamine (C8H11NO2) and L-DOPA (C9H11NO4) concentrations are of considerable biological importance [14]. That notwithstanding, it is significant within the brain and body, but it is difficult to discover the presence of C8H11NO2. This method is utilized experimentally whereas dopamine (C8H11NO2) is oxidized to become dopamine o-quinone (C8H9NO2) [16]
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