The relationships between biochemical marker, mortality rates, lifestyle, and functional phenotypes demonstrated by this classification method indicate that the system is reliable to address the functional status of extremely old persons. Thus, this framework would be a useful tool for exploring the factors that contribute to exceptional longevity as well as those that help to maintain the functional status of the extremely old population.
Preoperative NLR is an independent predictor of RFS in patients with HCC after curative hepatectomy, and is superior to the other inflammation-based prognostic scores.
A comprehensive model of the inclusion process of -cyclodextrin is presented herein, van der Waals interaction energy, Allinger's conformation energy, solvation energy of apolar solute in water, hydrogen bond energy of water molecules in the cavity of -cyclodextrin hexahydrate, and all other possible energies were taken into account for the calculation of freeenergy change by complexing an apolar guest molecule by -cyclodextrin. Motional freedoms of all of the particles relevant to the inclusion process were taken into consideration. The calculated values of the net stabilization free energy of a-cyclodextrin complexes with benzene, methyl orange, and p-iodoaniline were 4.50, 6.20, and 8.99 kcal mol-1, respectively, which were in good agreement with the observed values. The largest value of 10.09 kcal mol-1 was obtained as the van der Waals stabilization energy of the -cyclodextrin-p-iodoaniline complex which was most easily understood as a result of large atomic polarizability of iodine atom and/or better fit of the iodide substrate to -cyclodextrin's cavity than the other substrates. The value of the solvation energy (-A//scluster) ranges from 4.1 to 7.1 kcal mol-1, depending upon the size of the apolar moiety of the guest molecule, or the number of water molecules in the first layer of water clusters. The increase in entropy which accompanies breaking of the water clusters around the apolar guest has been found to be a nonnegligible term which contributes to the net stabilization of the inclusion complex. A true aspect that -cyclodextrin in the complex has a larger conformation energy by ca. 4 kcal mol-1 than that in the hexahydrate is also pointed out. Therefore, a speculation presented early by others that the strain relief is the main driving force of the formation of the inclusion complexes of -cyclodextrin is to be corrected based on the present results.
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