Sci Trans Med:SARS抗病毒疗法新进展

正根据发表在最近一期的《Science Translational Medicine》杂志上的一篇文章,一类新的抗病毒药物前体具有广谱性的抑制冠状病毒(包括SARS、MERS等)的作用。这一发现为未来的相关药物开发提供了思路,或许有利于预防未来可能出现的流行病疫情。冠状病毒是一类差异较大的病毒毒株的总称,其中一些病毒能够感染鸟类以及哺乳动物,而大部分冠状病毒仅能够感染特定宿主,对于人类     

DFT conformation and energies of amylose fragments at atomic resolution. Part 2: ‘band-flip’ and ‘kink’ forms of α-maltotetraose

In Part 2 of this series of DFT optimization studies of α-maltotetraose, we present results at the B3LYP/6-311++G∗∗ level of theory for conformations denoted ‘band-flips’ and ‘kinks’. Recent experimental X-ray studies have found examples of amylose fragments with conformations distorted from the usual syn forms, and it was of interest to examine these novel structural motifs by the same high-level DFT methods used in Part 1. As in Part 1, we have examined numerous hydroxymethyl rotamers (gg, gt, and tg) at different locations in the residue sequence, and include the two hydroxyl rotamers, the clockwise ‘c’ and counterclockwise ‘r’ forms. A total of fifty conformations were calculated and energy differences were found to attempt to identify those sources of electronic energy that dictate stressed amylose conformations. Most stressed conformations were found to have relative energies considerably greater (i.e., ∼4 to 12 kcal/mol) than the lowest energy syn forms. Relative energy differences between ‘c’ and ‘r’ forms are somewhat mixed with some stressed conformations being ‘c’ favored and some ‘r’ favored, with the lowest energy ‘kink’ form being an all-gg-r conformation with the ‘kink’ in the bc glycosidic dihedral angles. Comparison of our calculated structures with experimental results shows very close correspondence in dihedral angles.     

Aircrew Fatigue in Trans‐Atlantic Morning and Evening Flights

The aim of the investigation was to compare sleepiness and sleep on westward morning and evening flights. Seven morning‐crew pilots and seven evening‐crew pilots participated. Data were collected before, during, and after outward‐bound (westward) and homeward‐bound (eastward) flights across six time zones. A sleep/wake diary (with repeated sleepiness and performance ratings) and wrist actigraphy were used for data collection. Maximum sleep was obtained after return and minimum sleep before the outward‐bound flights. Actigraphy measures and sleep efficiency over the course of the study showed no significant differences between the morning and evening crews. There was a trend for a significant effect of morning vs. evening flight for time with heavy eyelids, with the homeward‐bound flight showing more time with heavy eyelids. There were no significant differences between morning and evening crews with regard to napping during the flight. The duration of wakefulness was longer for the evening flight crew. There were significant interactions for Karolinska sleepiness scale (KSS) self‐ratings on both the outward‐bound and homeward‐bound flights, and KSS was elevated during a considerable portion of the evening flights. Rated performance showed a significant time effect, but there was no difference in self‐ratings between morning and evening crews. Evening flights involve higher levels of sleepiness than morning flights, presumably because of the close proximity in time to the circadian trough of alertness.