Synthesis and enzymatic evaluation of the guanosine analogue 2-amino-6-mercapto-7-methylpurine ribonucleoside (MESG): insights into the phosphorolysis reaction mechanism based on the blueprint transition state: SN1 or SN2?

A modified experimental procedure for the synthesis of MESG (2-amino-6-mercapto-7-methylpurine ribonucleoside) 1 has been successfully performed and its full characterization is presented. High resolution ESI(+)-MSMS indicates both the nucleoside bond cleavage as the main fragmentation in the gas phase and a possible SN1 mechanism. Ab initio transition state calculations based on the blue print transition state support this mechanistic rationale and discard an alternative SN2 mechanism. Assays using purine nucleoside phosphorylase (PNP) enzyme (human and M. tuberculosis sources) indicate its efficiency in the phosphorolysis of MESG and allow the quantitative determination of inorganic phosphate in real time assay.

Extended model of pedestrian escalator behaviour based on data collected within a Chinese underground station

This paper presents data relating to pedestrian escalator behaviour collected in an underground station in Shanghai, China. While data was not collected under emergency or simulated emergency conditions, it is argued that the data collected under rush-hour conditions - where commuters are under time pressures to get to work on time - may be used to approximate emergency evacuation conditions - where commuters are also under time pressures to exit the building as quickly as possible. Data pertaining to escalator/stair choice, proportion of walkers to riders, walker speeds and side usage are presented. The collected data is used to refine the buildingEXODUS escalator model allowing the agents to select whether to use an escalator or neighbouring parallel stair based on congestion conditiions at the base of the stair/escalator and expected travel times. The new model, together with the collected data, is used to simulate a series of hypothetical evacuation scenarios to demonstrate the impact of escalators on evacuation performance.