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Evolution of the Structural Representation of Sucrose [1]
Author(s) -
Lichtenthaler Frieder W.,
Immel Stefan,
Kreis Uwe
Publication year - 1991
Publication title -
starch ‐ stärke
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.62
H-Index - 82
eISSN - 1521-379X
pISSN - 0038-9056
DOI - 10.1002/star.19910430402
Subject(s) - sweetness , sorbitol , sucrose , molecular graphics , surface (topology) , crystallography , representation (politics) , chemistry , mannitol , sugar , molecule , computer graphics , computer graphics (images) , chemical physics , computer science , geometry , organic chemistry , mathematics , politics , political science , law
Following a historical account on the establishment of the constitutional formula of sucrose and of its conformational features, the present possibilities for interactive graphics display of its molecular geometry, based on X‐ray structural data, are given. In addition, the MOLCAD program‐computed contact surface is presented as well as ‐ in a 16 color code ranging from violet ro red ‐ the electrostatic potential and, most relevant for structure‐sweetness relationship considerations, ist hydrophobicity potential profile on the contact surface. Finally, an attempt is made towards a tentative assessment of the computer‐generated distribution of hydrophilic and hydrophobic regions over the surface of the sucrose molecule in terms of the “sweetness triangle” AH‐B‐X concept. Also given are the graphic displays for the contact surfaces and hydrophobicity profiles of leucrose, isomaltulose and its reduction products α‐glucosyl‐mannitol and ‐sorbitol.