Temperature dependence of the distribution of the first passage time: Results from discontinuous molecular dynamics simulations of an all-atom model of the second beta-hairpin fragment of protein G

More than 22 000 folding kinetic simulations were performed to study the temperature dependence of the distribution of first passage time (FPT) for the folding of an all-atom Go-like model of the second beta-hairpin fragment of protein G. We find that the mean FPT (MFPT) for folding has a U (or V)-shaped dependence on the temperature with a minimum at a characteristic optimal folding temperature T-opt*. The optimal folding temperature T-opt* is located between the thermodynamic folding transition temperature and the solidification temperature based on the Lindemann criterion for the solid. Both the T-opt* and the MFPT decrease when the energy bias gap against nonnative contacts increases. The high-order moments are nearly constant when the temperature is higher than T-opt* and start to diverge when the temperature is lower than T-opt*. The distribution of FPT is close to a log-normal-like distribution at T* greater than or equal to T-opt*. At even lower temperatures, the distribution starts to develop long power-law-like tails, indicating the non-self-averaging intermittent behavior of the folding dynamics. It is demonstrated that the distribution of FPT can also be calculated reliably from the derivative of the fraction not folded (or fraction folded), a measurable quantity by routine ensemble-averaged experimental techniques at dilute protein concentrations.

语音意识缺陷儿童的言语知觉技能

Considerable studies find that developmental dyslexia is associated with deficits in phonological processing skills, especially phonological awareness. In order to explore the nature of phonological awareness deficits in dyslexia, researchers have begun to investigate the role of speech perception. The findings about speech perception abilities in dyslexics are inconsistent. The heterogeneity of dyslexia may be responsible for the inconsistency of findings. Considering the general suggestion that phonological awareness deficits in dyslexia are attributed to categorical perception deficits, it is more direct to examine whether children with phonological awareness difficulties or phonological dyslexia show speech categorization deficits consistently. The present study would investigate whether Chinese children with phonological awareness deficits or phonological dyslexia showed abnormal speech perception. The whole study consisted of two parts. Part I screened children with phonological-awareness deficits from Year 3 kindergartens and examined their abilities of perceiving native category continuum, nonnative category contrasts and non-speech sound series. Part II selected phonological dyslexics from an elementary school as participants, and further explored the relation between phonological deficits and speech perception. The first two experiments of Part II examined separately the abilities to label stimuli in native category continuum and brief stops in different contexts, the last experiment investigated the adaptation effects of different participant groups. The main conclusions are as follows: 1) Children with phonological dyslexia showed categorical perception deficits: they had lower consistency than controls when perceiving stimuli within phonetic categories, especially for the stimuli which were not natural sounds. 2) Children with phonological dyslexia exhibited a general difficulty of perceiving brief segments of stops from different contexts. 3) Children with phonological dyslexia did not show adaptation to repeatedly presented stimuli. Based on the present conclusions and the findings of previous studies, we suggested that the representations of sound stimuli in phonological dyslexics’ brains are different from those in normal children’s; the representations of sound stimuli in dyslexics’ cortical neural networks are more diffuse and inconsistent.