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Kumari, Harshita; Negin, Saeedeh; Eisenhart, Andrew; Patel, Mohit B.; Beck, Thomas L.; Heinrich, Frank; Spikes, Helena J.; Gokel, George W. (, RSC Advances)Supramolecular interactions are well recognized and many of them have been extensively studied in chemistry. The formation of supramolecular complexes that rely on weak force interactions are less well studied in bilayer membranes. Herein, a supported bilayer membrane is used to probe the penetration of a complex between tetracycline and a macrocyclic polyether. In a number of bacterial systems, the presence of the macrocycle has been found to significantly enhance the potency of the antimicrobial in vitro . The crown·tetracycline complex has been characterized in solution, neutron reflectometry has probed complex penetration, and the phenomena have been modeled by computational methods.more » « less
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Kumari, Harshita; Eisenhart, Andrew; Pajoubpong, Jinnipha; Heinrich, Frank; Beck, Thomas L. (, RSC Advances)null (Ed.)We report on the permeation of free and macrocycle-bound avobenzone across a POPC lipid bilayer through combined neutron reflectometry experiments and molecular dynamics simulations. Results indicate that the p -phosphonated calix[8]arene macrocycle limits the avobenzone penetration into the upper leaflet of the membrane. Hence, it could serve as a useful vehicle for safer formulations.more » « less
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