Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Petra Weiss-Greiler"'
Autor:
Walter Snor, Helmut Viernstein, Peter Wolschann, Elisabeth Liedl, Petra Weiss-Greiler, Alfred Karpfen
Publikováno v:
Monatshefte für Chemie - Chemical Monthly. 139:363-371
Conformations of α-, β-, and γ-CDs under anhydrous conditions in the gas phase were investigated by a density functional method, B3LYP/6-31G(d,p). These calculations resulted in several symmetric conformations with different energies. The lowest e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3213e782972fa83805b4a7d33c4233aa
https://doi.org/10.1007/s00706-007-0811-2
https://doi.org/10.1007/s00706-007-0811-2
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 57:29-33
Molecular dynamics simulations on β-cyclodextrin in vacuo, with water and complexed with spironolactone (SP) were performed at a temperature of 300 K over a period of 1 ns. Two different orientations of SP in the cavity were considered. Along with c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::98218a15c1fc6a333aa50f0c8974ba86
https://doi.org/10.1007/s10847-006-9165-3
https://doi.org/10.1007/s10847-006-9165-3
Autor:
Peter Wolschann, Petra Weiss-Greiler, Alfred Karpfen, Elisabeth Liedl, Helmut Viernstein, Walter Snor
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 57:35-38
Low-energy conformations of β-cyclodextrin under anhydrous conditions in the gas phase were investigated by DFT calculations. In these conformations, two homodromic hydrogen bond rings are formed with very short hydrogen bonds at the narrow side of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::209df77d799e030b563184df71026e51
https://doi.org/10.1007/s10847-006-9166-2
https://doi.org/10.1007/s10847-006-9166-2
Autor:
Peter Wolschann, Aurawan Titwan, Siriporn Okonogi, Helmut Viernstein, Suporn Charumanee, Jakkapan Sirithunyalug, Petra Weiss-Greiler
Publikováno v:
Journal of Chemical Technology & Biotechnology. 81:523-529
Molecular encapsulation on a molecular basis can be performed by cyclodextrins. The inclusion of organic molecules into the interior changes the properties of these molecules, which may be used for a broad variety of applications. The affinity of gue
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f4f3d00ef38b45bc815b8088e428c13
https://doi.org/10.1002/jctb.1525
https://doi.org/10.1002/jctb.1525
Publikováno v:
International Journal of Pharmaceutics. 256:85-94
The solubility enhancement of biologically active compounds was analysed in dependence on temperature, amount of cosolvents and on β-cyclodextrin as complexing agent. The analysis was performed for the systemic fungicide triflumizole (TF), a poorly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53fe0203ad028567b5510e2903dac657
https://doi.org/10.1016/s0378-5173(03)00065-6
https://doi.org/10.1016/s0378-5173(03)00065-6
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 44:235-240
The solubility enhancement of triflumizole by complexation with β-cyclodextrin and with dimethyl-β-cyclodextrin is compared with respect to the different physico-chemical properties of the host molecules. Although the inclusion reaction constants a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25263b4bf5aed3ae7ff4359d4fb752ad
https://doi.org/10.1023/a:1023050501551
https://doi.org/10.1023/a:1023050501551
Publikováno v:
Journal of Molecular Modeling. 6:425-432
The program MolSim designed to calculate the similarity of different molecules quantitatively in a fast and easy way is described. The molecular similarity is estimated for the molecular shape as well as for the electrostatic potentials of the molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd474d0d97440a48ae577e18e67b2c22
https://doi.org/10.1007/s0089400060425
https://doi.org/10.1007/s0089400060425
Publikováno v:
Scopus-Elsevier
The conformations of the potassium channel opener levcromakalim are analyzed with the aid of quantum chemical calculations in order to determine the energetically most favourable structures. The influence of intramolecular hydrogen bonding on the con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02a4873bb35bfd7c6e878175c8148fab
https://doi.org/10.1007/pl00013462
https://doi.org/10.1007/pl00013462
Publikováno v:
Flavour and Fragrance Journal. 12:141-146
The molecular surfaces of different sandalwood odour molecules have been investigated and compared with a group of structurally related substances without this odour impression to get more information about osmophoric regions. This has been done with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f7d4846315c9487e65c819176f80691
https://doi.org/10.1002/(sici)1099-1026(199705)12:3<141::aid-ffj634>3.0.co
https://doi.org/10.1002/(sici)1099-1026(199705)12:3<141::aid-ffj634>3.0.co
Publikováno v:
Chirality. 9:380-385
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ab8c7f1ef3f7f875b949cf99aabb96c4
https://doi.org/10.1002/(sici)1520-636x(1997)9:4<380::aid-chir11>3.0.co
https://doi.org/10.1002/(sici)1520-636x(1997)9:4<380::aid-chir11>3.0.co