Molecular orbital study of conformational isomers and rotational barriers of methyl substituted hydroquinone cation radicals

Autor: Kari Vaskonen, Virpi Vatanen, Jussi Eloranta, Reijo Suontamo, Mikko Vuolle

Publikováno v: Journal of Molecular Structure: THEOCHEM. 424:249-255

The torsional potential energy curve of the hydroxyl group of hydroquinone and tetramethyl-hydroquinone cation radicals were explored with various ab initio methods. The minimum and the torsional transition state geometries and energies were computed

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1d505bcaef12209fc590b3ccbbb8da63
https://doi.org/10.1016/s0166-1280(97)00152-8

EPR, ENDOR and TRIPLE resonance of amino-substituted 9,10-anthraquinone radicals and the rotation of the amino groups in the solution phase

Autor: Jussi Eloranta, Hilkka Heikkilä, Reijo Mäkelä, Mikko Vuolle, Virpi Vatanen, Antti Grönroos

Publikováno v: Eloranta, J, Vatanen, V, Grönroos, A, Vuolle, M, Mäkelä, R & Heikkilä, H 1996, ' EPR, ENDOR and TRIPLE resonance of amino-substituted 9,10-anthraquinone radicals and the rotation of the amino groups in the solution phase ', Magnetic Resonance in Chemistry, vol. 34, no. 11, pp. 903-907 . https://doi.org/10.1002/(SICI)1097-458X(199611)34:11<903::AID-OMR986>3.0.CO;2-8

EPR, ENDOR and TRIPLE resonance spectra were recorded for 1-amino-9,10-anthraquinone (1-aminoAQ), 2-aminoAQ, 1,2-diaminoAQ, 1.4-diaminoAQ, 1,5-diaminoAQ and 2,6-diaminoAQ anion radicals in the solution phase. The rotation of the amino groups is discu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a7133bdffb3698df9499b13695f0a6c
https://cris.vtt.fi/en/publications/9dd546cb-d2c3-4789-854c-15400711f056

Substituted methyl 5β-cholan-24-oates. I—17O NMR spectral characterization

Autor: Mari Kaartinen, Philip T. Lewis, Erkki Kolehmainen, Raimo Seppälä, Reijo Kauppinen, Virpi Vatanen, Jari Kotoneva, Jukka Sundelin, Kari Lappalainen

Publikováno v: Magnetic Resonance in Chemistry. 32:441-445

Methyl esters of four common bile acids, 3α-hydroxy-5-β-cholan-24-oic (lithocholic) acid, 3α, 7α-dihydroxy-5β-cholan-24-oic (chenodeoxycholic) acid, 3α,12α-dihydroxy-5β-cholan-24-oic (deoxycholic) acid and 3α,7α,12α-trihydroxy-5β-cholan-2

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::c21a18b771ab78043ba5f2feb1ac791f
https://doi.org/10.1002/mrc.1260320802

Substituted methyl 5β-cholan-24-oates II.13C NMR spectral assignment

Autor: Raimo Seppälä, Kari Lappalainen, Erkki Kolehmainen, Mari Kaartinen, Virpi Vatanen, Reijo Kauppinen

Publikováno v: Magnetic Resonance in Chemistry. 32:786-788

The 13C NMR spectra were recorded and assigned for nine derivatives of methyl 5β-cholan-24-oates (esters of bile acids) including hydroxy, oxo and/or acetyloxy groups. Assignments were based on the empirical substituent-induced chemical shifts (SCS)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::64f4174c8778275193542ba8732776ca
https://doi.org/10.1002/mrc.1260321213