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Volumn 5, Issue 5, 2003, Pages 705-708

Probing the diastereotopicity of methylene protons in strychnine using residual dipolar couplings

Author keywords

[No Author keywords available]

Indexed keywords

AMPHOLYTE; CARBENE; CARBON; HYDROGEN; ORGANIC COMPOUND; PROTON; STRYCHNINE;

EID: 0042689812     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol0275163     Document Type: Article
Times cited : (127)

References (47)
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    • Recent reviews: (a) de Alba, E.; Tjandra, N. Prog. Nucl. Magn. Reson. Spectrosc. 2002, 40, 175-197. (b) Prestegard, J. H.; Al-Hashimi, H. M.; Tolman, J. R. Q. Rev. Biophys. 2000, 33, 371-424.
    • (2002) Prog. Nucl. Magn. Reson. Spectrosc. , vol.40 , pp. 175-197
    • De Alba, E.1    Tjandra, N.2
  • 26
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    • Two posters have recently been communicated at the German Chemical Society NMR Group Meeting in Bremen, Germany, 2002: (a) Thiele, C. M.; Berger, S. Measurement of Residual Dipolar Couplings of Organic Substrates in an Organic Liquid Crystal. (b) Verdier, L.; Sakhaii, P.; Griesinger, C. Alignment of Organic Molecules in Nematic Liquid Crystal: A way to Determine Conformation by Detecting Dipole-Dipole Coupling in High Resolution NMR. (c) Note addd in proof: For a very recent communication, see: Mangoni, A.; Esposito, V.; Randazzo, A. Chem. Commun. 2003, 154-155.
    • Measurement of Residual Dipolar Couplings of Organic Substrates in an Organic Liquid Crystal
    • Thiele, C.M.1    Berger, S.2
  • 28
    • 0037219486 scopus 로고    scopus 로고
    • Two posters have recently been communicated at the German Chemical Society NMR Group Meeting in Bremen, Germany, 2002: (a) Thiele, C. M.; Berger, S. Measurement of Residual Dipolar Couplings of Organic Substrates in an Organic Liquid Crystal. (b) Verdier, L.; Sakhaii, P.; Griesinger, C. Alignment of Organic Molecules in Nematic Liquid Crystal: A way to Determine Conformation by Detecting Dipole-Dipole Coupling in High Resolution NMR. (c) Note addd in proof: For a very recent communication, see: Mangoni, A.; Esposito, V.; Randazzo, A. Chem. Commun. 2003, 154-155.
    • (2003) Chem. Commun. , pp. 154-155
    • Mangoni, A.1    Esposito, V.2    Randazzo, A.3
  • 29
    • 0141662645 scopus 로고    scopus 로고
    • Wiley: Chichester, UK; Chapter 13.4, Errata
    • Levitt, M. H. Spin Dynamics: Basics of Nuclear Magnetic Resonance; Wiley: Chichester, UK, 2001; Chapter 13.4, pp 425-431, and Errata at http://www.soton.ac.uk/~mhl/publications/books/SpinDynamics.
    • (2001) Spin Dynamics: Basics of Nuclear Magnetic Resonance , pp. 425-431
    • Levitt, M.H.1
  • 30
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    • note
    • IS = distance of spins I and S.
  • 31
    • 0141439754 scopus 로고    scopus 로고
    • note
    • C-H (in rad/s)/2π.
  • 33
    • 0141439753 scopus 로고    scopus 로고
    • note
    • 3. After a clear and uniform solution was obtained by shaking, five freeze and thaw cycles were performed and the sample tube was sealed to ensure constant conditions for the NMR experiments at different field strengths.
  • 35
    • 0141774541 scopus 로고    scopus 로고
    • note
    • 2H NMR spectra were acquired on Bruker instruments: DRX-400, DRX-600 (both equipped with a 5 mm BBO probe), and Avance 700 (equipped with a 5 mm TBI probe) without a frequency lock, which was not necessary due to the good stability of our instruments.
  • 36
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    • 6 was monitored after at least 20 min and the temperature of the control unit adjusted so as to give the same chemical shift difference on every spectrometer; cf.: van Geet, A. L. Anal. Chem. 1968, 40, 2227-29.
    • (1968) Anal. Chem. , vol.40 , pp. 2227-2229
    • Van Geet, A.L.1
  • 38
    • 0141551253 scopus 로고    scopus 로고
    • note
    • 13C NMR spectra were acquired on Bruker instruments: DRX-400, DRX-600 (both equipped with a 5 mm BBO probe), and Avance 700 (equipped with a 5 mm TBI probe) at 300 K.
  • 39
    • 0141551247 scopus 로고    scopus 로고
    • University of Manitoba, Winnipeg, MB, Canada
    • For spin simulation, the program SPINWORKS 1.3 was used: Marat, K. Spin Works version 1.3; University of Manitoba, Winnipeg, MB, Canada, 2002. http://www.umanitoba.ca/chemistry/nmr/nmrsource2.html.
    • (2002) Spin Works Version 1.3
    • Marat, K.1
  • 42
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    • Provided as pdb file with protons already attached by the Indiana University Molecular Structure Center at www.iusmc.indiana.edu.
  • 43
    • 0141551252 scopus 로고    scopus 로고
    • note
    • Minimizing was performed as follows: all dihedrals of the carbon framework were kept constant, and interatomic distances and bond angles to protons were allowed to be altered during a molecular mechanics calculation (force field: MM94).
  • 44
    • 0141551251 scopus 로고    scopus 로고
    • note
    • Strychnine is rather rigid, and therefore only one alignment tensor has to be determined for this molecule.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.