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Open AccessArticle

Raman Computational and Experimental Studies of Dopamine Detection

1
Department of Physics, University of Texas at El Paso, El Paso, TX 79968, USA
2
Department of Biomedical Engineering, University of Texas at El Paso, El Paso, TX 79968, USA
3
Division of Engineering, Department of Neurologic Surgery, Mayo Clinic, Rochester, MN 55905, USA
4
Border Biomedical Research Center, University of Texas at El Paso, El Paso, TX 79968, USA
*
Author to whom correspondence should be addressed.
Biosensors 2017, 7(4), 43; https://doi.org/10.3390/bios7040043
Received: 6 July 2017 / Revised: 17 September 2017 / Accepted: 25 September 2017 / Published: 28 September 2017
(This article belongs to the Special Issue Raman and IR Spectroscopic Sensing)
A combined theoretical and experimental analysis of dopamine (DA) is presented in this work with the objective of achieving more accurate detection and monitoring of this neurotransmitter at very low concentrations, specific to physiological levels. Surface-enhanced Raman spectroscopy on silver nanoparticles was employed for recording DA concentrations as low as 10−11 molar. Quantum chemical density functional calculations were carried out using Gaussian-09 analytical suite software. Relatively good agreement between the simulated and experimentally determined results indicates the presence of different DA molecular forms, such as uncharged DA±, anionic DA, and dopaminequinone. Disappearance of the strongest bands of dopamine around 750 cm−1 and 790 cm−1, which suggests its adsorption onto the metallic surface, is not only consistent with all of these DA configurations, but also provides additional information about the analyte’s redox process and voltammetric detection. On the other hand, occurrence of the abovementioned Raman lines could indicate the formation of multilayers of DA or its presence in a cationic DA+ form. Thus, through coordinated experiment and theory, valuable insights into changes observed in the vibrational signatures of this important neurotransmitter can be achieved for a better understanding of its detection at physiological levels, which is crucial if further optovoltammetric medical device development is envisioned. View Full-Text
Keywords: dopamine detection; label-free; surface-enhanced Raman spectroscopy; physiological levels; biosensors; computer simulation; silver nanocolloids dopamine detection; label-free; surface-enhanced Raman spectroscopy; physiological levels; biosensors; computer simulation; silver nanocolloids
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Ciubuc, J.D.; Bennet, K.E.; Qiu, C.; Alonzo, M.; Durrer, W.G.; Manciu, F.S. Raman Computational and Experimental Studies of Dopamine Detection. Biosensors 2017, 7, 43.

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