Experimental and theoretical investigation of the apomorphine Raman spectrum

A. Lucotti, M. Casella, M. Tommasini, F. Gramatica, E. Di Fabrizio, G. Zerbi

Research output: Contribution to journalArticle

Abstract

Apomorphine (aporphine-10,11-diol, CA Registry Number 58004) is a non-narcotic derivative of morphine discovered in 1869 by Mattheisen[1] and it is a well-known potent short-acting dopamine agonist at D1 and D2 dopamine receptors, typically used in the treatment of patients with advanced Parkinson's disease (PD). To identify the unknown vibrational spectrum of this compound, apomorphine bare salt and its commercial drug formulation (Apofin) were examined by means of Raman spectroscopy. In the Raman spectrum of apomorphine (both bare salt and commercial drug), two strong characteristic signals werefound,whichwereassignedwiththehelpoffirst-principlescalculations:thebandat1589cm-1 (assignedtothestretching mode of the B aromatic ring coupled with C-H in-plane bending) and the band at 1302 cm-1 (assigned to O-H in-plane bending and CH2 twisting and wagging vibrations).

Original languageEnglish
Pages (from-to)2074-2079
Number of pages6
JournalJournal of Raman Spectroscopy
Volume40
Issue number12
DOIs
Publication statusPublished - Dec 2009

Fingerprint

Apomorphine
Raman scattering
Salts
Morphine Derivatives
Vibrational spectra
Raman spectroscopy
Dopamine D1 Receptors
Dopamine D2 Receptors
Dopamine Agonists
Derivatives
Pharmaceutical Preparations
Dopamine
Pharmaceutical Chemistry

Keywords

  • Apomorphine
  • Density functional theory calculations
  • Drug molecular characterization
  • Parkinson's disease
  • Raman spectroscopy

ASJC Scopus subject areas

  • Spectroscopy
  • Materials Science(all)

Cite this

Experimental and theoretical investigation of the apomorphine Raman spectrum. / Lucotti, A.; Casella, M.; Tommasini, M.; Gramatica, F.; Di Fabrizio, E.; Zerbi, G.

In: Journal of Raman Spectroscopy, Vol. 40, No. 12, 12.2009, p. 2074-2079.

Research output: Contribution to journalArticle

Lucotti, A, Casella, M, Tommasini, M, Gramatica, F, Di Fabrizio, E & Zerbi, G 2009, 'Experimental and theoretical investigation of the apomorphine Raman spectrum', Journal of Raman Spectroscopy, vol. 40, no. 12, pp. 2074-2079. https://doi.org/10.1002/jrs.2374
Lucotti, A. ; Casella, M. ; Tommasini, M. ; Gramatica, F. ; Di Fabrizio, E. ; Zerbi, G. / Experimental and theoretical investigation of the apomorphine Raman spectrum. In: Journal of Raman Spectroscopy. 2009 ; Vol. 40, No. 12. pp. 2074-2079.
@article{a2613e0dfb194d61b980b9d248de7adb,
title = "Experimental and theoretical investigation of the apomorphine Raman spectrum",
abstract = "Apomorphine (aporphine-10,11-diol, CA Registry Number 58004) is a non-narcotic derivative of morphine discovered in 1869 by Mattheisen[1] and it is a well-known potent short-acting dopamine agonist at D1 and D2 dopamine receptors, typically used in the treatment of patients with advanced Parkinson's disease (PD). To identify the unknown vibrational spectrum of this compound, apomorphine bare salt and its commercial drug formulation (Apofin) were examined by means of Raman spectroscopy. In the Raman spectrum of apomorphine (both bare salt and commercial drug), two strong characteristic signals werefound,whichwereassignedwiththehelpoffirst-principlescalculations:thebandat1589cm-1 (assignedtothestretching mode of the B aromatic ring coupled with C-H in-plane bending) and the band at 1302 cm-1 (assigned to O-H in-plane bending and CH2 twisting and wagging vibrations).",
keywords = "Apomorphine, Density functional theory calculations, Drug molecular characterization, Parkinson's disease, Raman spectroscopy",
author = "A. Lucotti and M. Casella and M. Tommasini and F. Gramatica and {Di Fabrizio}, E. and G. Zerbi",
year = "2009",
month = "12",
doi = "10.1002/jrs.2374",
language = "English",
volume = "40",
pages = "2074--2079",
journal = "Journal of Raman Spectroscopy",
issn = "0377-0486",
publisher = "John Wiley and Sons Ltd",
number = "12",

}

TY - JOUR

T1 - Experimental and theoretical investigation of the apomorphine Raman spectrum

AU - Lucotti, A.

AU - Casella, M.

AU - Tommasini, M.

AU - Gramatica, F.

AU - Di Fabrizio, E.

AU - Zerbi, G.

PY - 2009/12

Y1 - 2009/12

N2 - Apomorphine (aporphine-10,11-diol, CA Registry Number 58004) is a non-narcotic derivative of morphine discovered in 1869 by Mattheisen[1] and it is a well-known potent short-acting dopamine agonist at D1 and D2 dopamine receptors, typically used in the treatment of patients with advanced Parkinson's disease (PD). To identify the unknown vibrational spectrum of this compound, apomorphine bare salt and its commercial drug formulation (Apofin) were examined by means of Raman spectroscopy. In the Raman spectrum of apomorphine (both bare salt and commercial drug), two strong characteristic signals werefound,whichwereassignedwiththehelpoffirst-principlescalculations:thebandat1589cm-1 (assignedtothestretching mode of the B aromatic ring coupled with C-H in-plane bending) and the band at 1302 cm-1 (assigned to O-H in-plane bending and CH2 twisting and wagging vibrations).

AB - Apomorphine (aporphine-10,11-diol, CA Registry Number 58004) is a non-narcotic derivative of morphine discovered in 1869 by Mattheisen[1] and it is a well-known potent short-acting dopamine agonist at D1 and D2 dopamine receptors, typically used in the treatment of patients with advanced Parkinson's disease (PD). To identify the unknown vibrational spectrum of this compound, apomorphine bare salt and its commercial drug formulation (Apofin) were examined by means of Raman spectroscopy. In the Raman spectrum of apomorphine (both bare salt and commercial drug), two strong characteristic signals werefound,whichwereassignedwiththehelpoffirst-principlescalculations:thebandat1589cm-1 (assignedtothestretching mode of the B aromatic ring coupled with C-H in-plane bending) and the band at 1302 cm-1 (assigned to O-H in-plane bending and CH2 twisting and wagging vibrations).

KW - Apomorphine

KW - Density functional theory calculations

KW - Drug molecular characterization

KW - Parkinson's disease

KW - Raman spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=72249120227&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=72249120227&partnerID=8YFLogxK

U2 - 10.1002/jrs.2374

DO - 10.1002/jrs.2374

M3 - Article

AN - SCOPUS:72249120227

VL - 40

SP - 2074

EP - 2079

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

SN - 0377-0486

IS - 12

ER -