LIECE

Type of equipment Is pilot plant usually lieces- sary Major variables for operational design (other than flow rate) Major variables characterizing size or capacity Maximum scale-up ratio based on indicated characterizing variable Approximate recommended safety or over-design factor, %... 

Tile Pni.ssian [liece was iiiveiiti d by Mr. Dreyse, wlio us said to havf spent ovifi tliirty vcar.s in trying to construct a ix-rfect brcecli-loadiiig tire-arm. 

The LIECE approach, where the last two letters stand for continuum electrostatics, is about two orders of magnitude faster than previous LI E methods and shows a similar precision on the targets tested. In fact, we have observed an error of about 1 kcal/mol for 13 and 29 peptidicinhibitors of 3-secretase and HIV-1 protease, respectively [73]. Similar accuracy has been reported for other proteases [89, 90] and five kinases [91]. 

Second, there are significant sources of errors in both the force field and continuum dielectric model used to approximate solvation effects. As an example, polarization effects are neglected in force fields based on fixed partial charges. A recent extension of the LIECE model has emphasized the importance of quantum mechanics to capture these effects, in particular for sets of inhibitors vith significant differences in the number of formal charges [114]. 

Edson R. Leite, LIEC - Universidade Federal de Sao Carlos, Departamento de Qufmica, Rod. Washington Luiz, km 235 - 13565-905, Sao Carlos, SP, Brazil... 

Three chemically reversible intercalations of Li into C60/C70 (9/1) were detected by Abe et al. [164] and attributed to formation of the fiillerene mono-, di- and trianions in the solid state. Identical results for the first three intercalations of lithium into C60 were obtained by Zhao et al. [165] from galvanostatic experiments. At longer intercalation times (or charges), compounds with apparent formulas Li5C6o, LieC o and Li7 5C60 were formed. Voltammetric behavior of samples prepared by Zhao et al. [165] was found to depend on the method of their preparation. 

Interdisciplinary Laboratory of Electrochemistry and Ceramics (LIEC), Chemistry Institute-UNESP, Araraquara/SP, Brazil... 

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