High-resolution twin-ion metabolite extraction (HiTIME) mass spectrometry: nontargeted detection of unknown drug metabolites by isotope labeling, liquid chromatography mass spectrometry, and automated high-performance computing.

The metabolic fate of a compound can often determine the success of a new drug lead. Thus, significant effort is directed toward identifying the metabolites formed from a given molecule. Here, an automated and nontargeted procedure is introduced for detecting drug metabolites without authentic metabolite standards via the use of stable isotope labeling, liquid chromatography mass spectrometry (LC/MS), and high-performance computing.

Microclim: Global estimates of hourly microclimate based on long-term monthly climate averages.

The mechanistic links between climate and the environmental sensitivities of organisms occur through the microclimatic conditions that organisms experience. Here we present a dataset of gridded hourly estimates of typical microclimatic conditions (air temperature, wind speed, relative humidity, solar radiation, sky radiation and substrate temperatures from the surface to 1 m depth) at high resolution (~15 km) for the globe. The estimates are for the middle day of each month, based on long-term average macroclimates, and include six shade levels and three generic substrates (soil, rock and sand) per pixel.