Journal of molecular modeling, 19(2), 589-599 (2012-09-14)
Density functional theory calculations on two glycosides, namely, n-octyl-β-D-glucopyranoside (C(8)O-β-Glc) and n-octyl-β-D-galactopyranoside (C(8)O-β-Gal) were performed for geometry optimization at the B3LYP/6-31G level. Both molecules are stereoisomers (epimers) differing only in the orientation of the hydroxyl group at the C4 position.
Physical chemistry chemical physics : PCCP, 13(21), 10136-10146 (2011-04-20)
The anomer selectivity of artificial carbohydrate receptors was studied using in silico methods in order to shed light on the thermodynamic driving forces at work during molecular recognition in general. The contributions of relevant intermolecular hydrogen bonds were investigated by
The ATP synthase of the alkaliphile Bacillus pseudofirmus OF4 has a tridecameric c-subunit rotor ring. Each c-subunit has an AxAxAxA motif near the center of the inner helix, where neutralophilic bacteria generally have a GxGxGxG motif. Here, we studied the
The journal of physical chemistry. B, 116(12), 3816-3822 (2012-03-06)
When mixed with water, n-octyl β-D-glucoside forms self-assembled nanostructures, several of which are liquid crystalline and all of which depend on the water/glucoside ratio and temperature. For practical use of these phases, a detailed understanding of the conditions under which
The journal of physical chemistry. B, 114(44), 14064-14070 (2010-10-23)
The photochemical and thermal stability of the detergent-solubilized blue- and green-absorbing proteorhodpsins, BPR and GPR, respectively, are investigated to determine the viability of these proteins for photonic device applications. Photochemical stability is studied by using pulsed laser excitation and differential
Unser Team von Wissenschaftlern verfügt über Erfahrung in allen Forschungsbereichen einschließlich Life Science, Materialwissenschaften, chemischer Synthese, Chromatographie, Analytik und vielen mehr..