Sesamin inhibits cervical cancer cell proliferation by promoting p53/PTEN-mediated apoptosis.

Sesamin is a major bioactive compound in sesame seeds and has various biological properties, including anti-inflammatory and anticancer activities. Here, we explored whether sesamin activates p53, which is widely inhibited in cervical cancer cells, thereby inducing p53-mediated apoptosis. Human HeLa and SiHa cervical cancer cells and normal Hs68 dermal cells were used as cell models.

Assessment of density functional methods with correct asymptotic behavior.

Long-range corrected (LC) hybrid functionals and asymptotically corrected (AC) model potentials are two distinct density functional methods with correct asymptotic behavior. They are known to be accurate for properties that are sensitive to the asymptote of the exchange-correlation potential, such as the highest occupied molecular orbital energies and Rydberg excitation energies of molecules. To provide a comprehensive comparison, we investigate the performance of the two schemes and others on a very wide range of applications, including asymptote problems, self-interaction-error problems, energy-gap problems, charge-transfer problems and many others.

Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections.

By incorporating the improved empirical atom-atom dispersion corrections from DFT-D3 [Grimme, S.; Antony, J.; Ehrlich, S.

Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections.

We propose a long-range corrected hybrid meta-generalized-gradient approximation (GGA) functional, based on a global hybrid meta-GGA functional, M05 [Y. Zhao, N. E.