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Full-Text Articles in Life Sciences

Restoring Lake Urmia: Moving Beyond A Uniform Lake Level (2-Page Summary), Somayeh Sima, Dory Rosenberg, Wayne A. Wurtsbaugh, Sarah E. Null, Karin M. Kettenring Jul 2020

Restoring Lake Urmia: Moving Beyond A Uniform Lake Level (2-Page Summary), Somayeh Sima, Dory Rosenberg, Wayne A. Wurtsbaugh, Sarah E. Null, Karin M. Kettenring

Watershed Sciences Faculty Publications

More than 5 million people live near Lake Urmia in northwestern Iran, one of the world's largest hypersaline lakes. Over the past two decades, the lake has lost 95% of its volume, lake level has dropped more than 7 m, and lake restoration has gained widespread interest. The government seeks a uniform "ecological" target lake level of 1274.1 m above sea level to lower salinity below 240 gL-1 and recover brine shrimp (Artemia spp.) and flamingos (Phoenicopterus roseus).

We have synthesized over 40 years of available data, defined 8 ecosystem services for human health, water quality, ecology, recreation, and …


Modeling The Alkaline Hydrolysis Of Diaryl Sulfate Diesters: A Mechanistic Study, Klaudia Szeler, Nicholas H. Williams, Alvan C. Hengge, Shina C. Kamerlin Apr 2020

Modeling The Alkaline Hydrolysis Of Diaryl Sulfate Diesters: A Mechanistic Study, Klaudia Szeler, Nicholas H. Williams, Alvan C. Hengge, Shina C. Kamerlin

Chemistry and Biochemistry Faculty Publications

Phosphate and sulfate esters have important roles in regulating cellular processes. However, while there has been substantial experimental and computational investigation of the mechanisms and the transition states involved in phosphate ester hydrolysis, there is far less work on sulfate ester hydrolysis. Here, we report a detailed computational study of the alkaline hydrolysis of diaryl sulfate diesters, using different DFT functionals as well as mixed implicit/explicit solvation with varying numbers of explicit water molecules. We consider the impact of the computational model on computed linear free-energy relationships (LFER) and the nature of the transition states (TS) involved. We obtain good …