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Due to the fact that the energy in such calculations is determined up to a constant, we calculated the energy difference between the position of atom of carbon inside of the nanocluster (octahedral interstice) and the current position during its drift to the surface: varDelta u= u(L)- u(0), (3).

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Body mass index (BMI) and SDS calculations were determined using the Epi Info nutrition calculator [33].

Power calculations were determined using power and sample size calculator software PS version 2.1.31 http://www.mc.vanderbilt.edu/prevmed/ps/.edu/prevmed/ps/

The various edge gradient calculations are determined by multiple subtraction functions operating in parallel, where the configurable gradient select register determines the selected edge gradient output from M1.

Convergence of the self-consistent cycle of calculations was determined by the difference in full energies obtained in two successive stages which was chosen less than 10−6 eV.

All the theoretical calculations were determined in gas phase and in the approximation of the isolated molecule, using GaussView05 program [32] and Gaussian09 [33] program package.

Statistical calculations were determined using the GraphPad Prism software package (GraphPad, Software, Inc., CA, USA).

NA inhibition assay and IC50 calculations were determined using nonlinear curve fit in GraphPad Prism version 5. Statistical analysis was conducted using either one-way or two-way ANOVA when appropriate.

Clone size calculations were determined as previously described [12].

All calculations are determined in order to reach at least 80% power.

The percent extrapolation in the AUC0 ∞ calculations was determined as follows: [ AUC0 ∞) − AUC0 2,880)/AUC0–∞] × 100.

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