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Beta-cyclodextrin (β-CD) is an ideal candidatefor a hostmolecule, and it is used as such in drug delivery and separation technology.The structural behavior of free β-CD and host–guest complexesof β-CD with two isoflavonoid isomers (puerarin and daidzin)in aqueous alcohol solutions, covering methanol, ethanol, 2-propanol,and 1-propanol, was investigated through molecular dynamics (MD) simulations.The MD results highlighted aspects of the structural flexibility andrigidity of β-CD in different alcohol solutions. The alcoholresidence time within the β-CD cavity, solvent distributionaround β-CD, and guest-induced structural changes were analyzed.Interaction with puerarin endowed β-CD with a more rigid structurethan with daidzin and a weaker ternary complex β-CD/puerarin/alcoholwas formed with a local participation of water molecules. The retentionbehavior of puerarin and daidzin on a β-CD-coupled medium wasdetermined via chromatographic experiments and simulation resultsprovided a structural explanation for such interactions. [ABSTRACT FROM AUTHOR]

Purpose: To assess the acidogenic potential of eight different types of baked nuts or seeds eaten alone and after a sucrose challenge using in-dwelling electrode telemetry., Methods: Six participants wearing a mandibular partial prosthesis incorporated with a miniature glass pH electrode were enrolled. The plaque pH was measured after 5 or 6 days of plaque accumulation. To establish a control, the subjects were instructed to rinse with sucrose, without any subsequent treatment, at the first visit. At each subsequent test visit, the subjects were asked to chew sugar free xylitol gum or consume 10 g of baked (180 degrees C, 5 minutes) peanuts, walnuts, pistachios, cashews, almonds, sunflower seeds, pumpkin seeds, or watermelon seeds alone and 10 minutes after a sucrose rinse. The minimum plaque pH value and area of plaque pH curve under 5.7 (AUC5.7) during and after nut/seed consumption or gum chewing alone, the plaque pH value at 10 minutes after the sucrose rinse, the time required for the pH to return to >5.7 and AUC5.7 after the sucrose rinse with or without nut/seed consumption or gum chewing were calculated from the telemetric curves., Results: The sucrose rinse induced a rapid decrease in the plaque pH to 4.32 +/- 0.17 at 10 minutes; this value remained below 5.7 for the measurement period. The AUC5.7 values were 34.58 +/- 7.27 and 63.55 +/- 15.17 for 40 and 60 minutes after the sucrose challenge, respectively. With the exception of cashews and pumpkin seeds (minimum pH, 5.42 and 5.63 respectively), the nuts or seeds did not decrease the plaque pH to below 5.7 when consumed alone, with the AUC5.7 values during and after consumption (total 40 minutes) ranging from 0.24 to 2.5 (8.44 for cashews), which were significantly lower than those after the sucrose challenge. Furthermore, nut/seed consumption or gum chewing after the sucrose challenge significantly reversed the sucrose-induced decrease in the plaque pH, and the time required for the pH to return to >5.7 and the AUC5.7 values for 60 minutes after the sucrose challenge were much less than that of the sucrose challenge without subsequent interference.