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Structure Determination of Serotonin Using Quantum Approximations

Year 2020, Volume: 3 Issue: 2, 41 - 47, 06.12.2020

İbrahim Isah Nasidi

Abstract

The role played by computational quantum theory methods especially Hertree-Fock (HF) and Density functional theory (DFT) in physical chemistry and theoretical physics is very important and helpful. Serotonin is neurotransmitter and has medicinal value, that is why it is important to understand its stability, reactivity and structure analysis. Serotonin ]is a monoamine neurotransmitter. Its biological function is complex and multifaceted, modulating mood, cognition, reward, learning, memory, and numerous physiological processes such as vomiting. In this study, we optimize the energy band gaps using different basis sets for both DFT and HF methods. LanL2MB at DFT method was selected for the molecule. IR, NMR and UV were also investigated during the research.

Keywords

Serotonin Band gap energy DFT Hartree-Fock Theory

References

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Year 2020, Volume: 3 Issue: 2, 41 - 47, 06.12.2020

İbrahim Isah Nasidi

Abstract

References

  • Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994–2011 ACD/Labs).
  • Mazák K, Dóczy V, Kökösi J, Noszál B (April 2009). "Proton speciation and microspeciation of serotonin and 5-hydroxytryptophan". Chemistry & Biodiversity. 6 (4): 578–90. doi:10.1002/cbdv.200800087. PMID 19353542. S2CID 20543931.
  • Pietra S (1958). "[Indolic derivatives. II. A new way to synthesize serotonin]". Il Farmaco; Edizione Scientifica (in Italian). 13 (1): 75–9. PMID 13524273.
  • Erspamer V (1952). "Ricerche preliminari sulle indolalchilamine e sulle fenilalchilamine degli estratti di pelle di Anfibio". Ricerca Scientifica. 22: 694–702.
  • Tammisto T (1967). "Increased toxicity of 5-hydroxytryptamine by ethanol in rats and mice". Annales Medicinae Experimentalis et Biologiae Fenniae. 46 (3, Pt. 2): 382–4. PMID 5734241.
  • Jones D (2003) [1917], Roach P, Hartmann J, Setter J (eds.), English Pronouncing Dictionary, Cambridge: Cambridge University Press, ISBN 978-3-12-539683-8 "Serotonin". Dictionary.com Unabridged. Random House.
  • Young SN (November 2007). "How to increase serotonin in the human brain without drugs". Journal of Psychiatry & Neuroscience. 32 (6): 394–9. PMC 2077351. PMID 18043762.
  • González-Flores D, Velardo B, Garrido M, González-Gómez D, Lozano M, Ayuso MC, Barriga C, Paredes SD, Rodríguez AB (2011). "Ingestion of Japanese plums (Prunus salicina Lindl. cv. Crimson Globe) increases the urinary 6-sulfatoxymelatonin and total antioxidant capacity levels in young, middle-aged and elderly humans: Nutritional and functional characterization of their content". Journal of Food and Nutrition Research. 50 (4): 229–236.
  • Schlienger RG, Meier CR (2003). "Effect of selective serotonin reuptake inhibitors on platelet activation: can they prevent acute myocardial infarction?". American Journal of Cardiovascular Drugs: Drugs, Devices, and Other Interventions. 3 (3): 149–62. doi:10.2165/00129784-200303030-00001. PMID 14727927. S2CID 23986530.
  • King MW. "Serotonin". The Medical Biochemistry Page. Indiana University School of Medicine. Retrieved 1 December 2009.
  • Berger M, Gray JA, Roth BL (2009). "The expanded biology of serotonin". Annual Review of Medicine. 60: 355–66. doi: 10.1146/annurev.med.60.042307.110802. PMC 5864293. PMID 19630576.
  • Kling A (2013). 5-HT2A: a serotonin receptor with a possible role in joint diseases (PDF) (Thesis). Umeå Universitet. ISBN 978-91-7459-549-9.
  • Yano JM, Yu K, Donaldson GP, Shastri GG, Ann P, Ma L, Nagler CR, Ismagilov RF, Mazmanian SK, Hsiao EY (April 2015). "Indigenous bacteria from the gut microbiota regulate host serotonin biosynthesis". Cell. 161 (2): 264–76. doi: 10.1016/j.cell.2015.02.047. PMC 4393509. PMID 25860609.
  • Vanhoutte PM (February 1987). "Serotonin and the vascular wall". International Journal of Cardiology. 14 (2): 189–203. doi:10.1016/0167-5273(87)90008-8. PMID 3818135.
  • Prah A, Purg M, Stare J, Vianello R, Mavri J (September 2020). "How Monoamine Oxidase A Decomposes Serotonin: An Empirical Valence Bond Simulation of the Reactive Step". The Journal of Physical Chemistry. B. 124 (38): 8259–8265. doi: 10.1021/acs.jpcb.0c06502. PMC 7520887. PMID 32845149.
  • Huser A, Rohwedder A, Apostolopoulou AA, Widmann A, Pfitzenmaier JE, Maiolo EM, Selcho M, Pauls D, von Essen A, Gupta T, Sprecher SG, Birman S, Riemensperger T, Stocker RF, Thum AS (2012). "The serotonergic central nervous system of the Drosophila larva: anatomy and behavioral function". PLOS ONE. 7 (10): e47518. Bibcode:2012PLoSO...747518H. doi: 10.1371/journal.pone.0047518. PMC 3474743. PMID 23082175.
  • Chen J, Lariviere WR (2010). "The nociceptive and anti-nociceptive effects of bee venom injection and therapy: a double-edged sword". Progress in Neurobiology. 92 (2): 151–83. doi: 10.1016/j.pneurobio.2010.06.006. PMC 2946189. PMID 20558236.
  • McGowan K, Kane A, Asarkof N, Wicks J, Guerina V, Kellum J, Baron S, Gintzler AR, Donowitz M (August 1983). "Entamoeba histolytica causes intestinal secretion: role of serotonin". Science. 221 (4612): 762–4. Bibcode:1983Sci... 221..762M. doi:10.1126/science.6308760. PMID 6308760.
  • Feldman JM, Lee EM (October 1985). "Serotonin content of foods: effect on urinary excretion of 5-hydroxyindoleacetic acid". The American Journal of Clinical Nutrition. 42 (4): 639–43. doi:10.1093/ajcn/42.4.639. PMID 2413754.
  • Ramakrishna A, Giridhar P, Ravishankar GA (2011). "Phytoserotonin: a review". Plant Signaling & Behavior. 6 (6): 800–9. doi:10.4161/psb.6.6.15242. PMC 3218476. PMID 21617371.
  • Srinivasan S, Sadegh L, Elle IC, Christensen AG, Faergeman NJ, Ashrafi K (June 2008). "Serotonin regulates C. elegans fat and feeding through independent molecular mechanisms". Cell Metabolism. 7 (6): 533–44. doi: 10.1016/j.cmet.2008.04.012. PMC 2495008. PMID 18522834.
  • Kravitz EA (September 1988). "Hormonal control of behavior: amines and the biasing of behavioral output in lobsters". Science. 241 (4874): 1775–81. Bibcode:1988Sci...241.1775K. doi:10.1126/science.2902685. PMID 2902685.
  • Beattie DT, Smith JA (May 2008). "Serotonin pharmacology in the gastrointestinal tract: a review". Naunyn-Schmiedeberg's Archives of Pharmacology. 377 (3): 181–203. doi:10.1007/s00210-008-0276-9. PMID 18398601. S2CID 32820765.
  • Sangkuhl K, Klein TE, Altman RB (November 2009). "Selective serotonin reuptake inhibitors pathway". Pharmacogenetics and Genomics. 19 (11): 907–9. doi:10.1097/FPC.0b013e32833132cb. PMC 2896866. PMID 19741567.
  • Hannon J, Hoyer D (December 2008). "Molecular biology of 5-HT receptors". Behavioural Brain Research. 195 (1): 198–213. doi: 10.1016/j.bbr.2008.03.020. PMID 18571247. S2CID 46043982.
  • Zhou M, Engel K, Wang J (January 2007). "Evidence for significant contribution of a newly identified monoamine transporter (PMAT) to serotonin uptake in the human brain". Biochemical Pharmacology. 73 (1): 147–54. doi: 10.1016/j.bcp.2006.09.008. PMC 1828907. PMID 17046718.
  • Paulmann N, Grohmann M, Voigt JP, Bert B, Vowinckel J, Bader M, Skelin M, Jevsek M, Fink H, Rupnik M, Walther DJ (October 2009). O'Rahilly S (ed.). "Intracellular serotonin modulates insulin secretion from pancreatic beta-cells by protein serotonylation". PLOS Biology. 7 (10): e1000229. doi: 10.1371/journal.pbio.1000229. PMC 2760755. PMID 19859528.
  • Walther DJ, Peter JU, Winter S, Höltje M, Paulmann N, Grohmann M, Vowinckel J, Alamo-Bethencourt V, Wilhelm CS, Ahnert-Hilger G, Bader M (December 2003). "Serotonylation of small GTPases is a signal transduction pathway that triggers platelet alpha-granule release". Cell. 115 (7): 851–62. doi:10.1016/S0092-8674(03)01014-6. PMID 14697203. S2CID 16847296.
  • Watts SW, Priestley JR, Thompson JM (May 2009). "Serotonylation of vascular proteins important to contraction". PLOS ONE. 4 (5): e5682. Bibcode:2009PLoSO...4.5682W. doi: 10.1371/journal.pone.0005682. PMC 2682564. PMID 19479059.
  • Roth BL, Driscol J (12 January 2011). "PDSP Ki Database". Psychoactive Drug Screening Program (PDSP). University of North Carolina at Chapel Hill and the United States National Institute of Mental Health. Archived from the original on 8 November 2013. Retrieved 17 December 2013.
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There are 64 citations in total.

Details

Primary Language English
Subjects Metrology, Applied and Industrial Physics
Journal Section Articles
Authors

İbrahim Isah Nasidi 0000-0002-3983-4884

Publication Date December 6, 2020
Submission Date November 3, 2020
Acceptance Date November 20, 2020
Published in Issue Year 2020 Volume: 3 Issue: 2

Cite

APA Isah Nasidi, İ. (2020). Structure Determination of Serotonin Using Quantum Approximations. Journal of Physical Chemistry and Functional Materials, 3(2), 41-47.
AMA Isah Nasidi İ. Structure Determination of Serotonin Using Quantum Approximations. Journal of Physical Chemistry and Functional Materials. December 2020;3(2):41-47.
Chicago Isah Nasidi, İbrahim. “Structure Determination of Serotonin Using Quantum Approximations”. Journal of Physical Chemistry and Functional Materials 3, no. 2 (December 2020): 41-47.
EndNote Isah Nasidi İ (December 1, 2020) Structure Determination of Serotonin Using Quantum Approximations. Journal of Physical Chemistry and Functional Materials 3 2 41–47.
IEEE İ. Isah Nasidi, “Structure Determination of Serotonin Using Quantum Approximations”, Journal of Physical Chemistry and Functional Materials, vol. 3, no. 2, pp. 41–47, 2020.
ISNAD Isah Nasidi, İbrahim. “Structure Determination of Serotonin Using Quantum Approximations”. Journal of Physical Chemistry and Functional Materials 3/2 (December 2020), 41-47.
JAMA Isah Nasidi İ. Structure Determination of Serotonin Using Quantum Approximations. Journal of Physical Chemistry and Functional Materials. 2020;3:41–47.
MLA Isah Nasidi, İbrahim. “Structure Determination of Serotonin Using Quantum Approximations”. Journal of Physical Chemistry and Functional Materials, vol. 3, no. 2, 2020, pp. 41-47.
Vancouver Isah Nasidi İ. Structure Determination of Serotonin Using Quantum Approximations. Journal of Physical Chemistry and Functional Materials. 2020;3(2):41-7.
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