<p>Labdane diterpenes exhibit important bioactivities such as cardiovascular effects in rats as well as effects in the treatment of autoimmune diseases and Alzheimer syndrome. Recently, the labdane diterpenes <italic>ent</italic>-13-<italic>epi</italic>-manoil oxide, ribenone and ribenol were isolated from <italic>Croton palanostigma</italic>. The computational method DFT/B3LYP/cc-pVDZ was used to optimize the structures of these diterpenes and to calculate infrared data. Chemical shifts (δ_H and δ_C) of the minimum energy structures (local minimum) were calculated and compared with the experimental data. Comparison of the NMR data by simple linear regression (SLR) showed satisfactory statistical results with a correlation coefficient (R²) and predictive ability (Q²) of over 98%. The predicted NMR data were used to confirm the δ_H values that have not been published.</p>

Isotermas de dessorção de pimenta-de-macaco foram determinadas pelo método gravimétrico estático nas temperaturas de 35, 45 e 55 ºC, com umidade relativa variando de 5,5-81%. Três modelos matemáticos foram aplicados para analisar os dados experimentais. O modelo de GAB modificado apresentou o melhor ajuste aos dados experimentais. O calor isostérico e a entropia diferencial foram determinados pela aplicação das equações de Clausius-Clapeyron e Gibbs-Helmholtz, respectivamente. O calor isostérico e a entropia da isoterma de dessorção apresentaram comportamento similar. A teoria da compensação entalpia-entropia foi aplicada às isotermas indicando que o mecanismo de dessorção de umidade das partes aéreas de pimenta-de-macaco é controlado pela entalpia.

Desorption isotherms of monkey pepper were determined by static gravimetric method at temperatures 35, 45, and 55 ºC, over a relative humidity range of 5.5-81%. Three mathematical models were applied to analyse the experimental data. The modified GAB model showed the best adjustment of the experimental data. The isosteric heat and differential entropy were determined by applying Clausius-Clapeyron and Gibbs-Helmholtz equations, respectively. The isosteric heat and the entropy of desorption isotherm presented similar behavior. The enthalpy-entropy compensation theory was applied to the isotherms, indicating that the aerial parts desorption mechanism are enthalpy-controlled.