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The evolution of multiple active site configurations in a designed enzyme

Developments in computational chemistry, bioinformatics, and laboratory evolution have facilitated the de novo design and catalytic optimization of enzymes. Besides creating useful catalysts, the generation and iterative improvement of designed enzymes can provide valuable insight into the interplay between the many phenomena that have been suggested to contribute to catalysis. In this work, we fo

Shuffling Active Site Substate Populations Affects Catalytic Activity : The Case of Glucose Oxidase

Glucose oxidase has wide applications in the pharmaceutical, chemical, and food industries. Many recent studies have enhanced key properties of this enzyme using directed evolution, yet without being able to reveal why these mutations are actually beneficial. This work presents a synergistic combination of experimental and computational methods, indicating how mutations, even when distant from the

Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B

Monoamine oxidase (MAO), which exists in two isozymic forms, MAO A and MAO B, is an important flavoenzyme responsible for the metabolism of amine neurotransmitters such as dopamine, serotonin, and norepinephrine. Despite extensive research effort, neither the catalytic nor the inhibition mechanisms of MAO have been completely understood. There has also been dispute with regard to the protonation s

Prey capture by the non-native carnivorous pitcher plant Sarracenia purpurea across sites in Britain and Ireland

The carnivorous pitcher plant Sarracenia purpurea is native to North America, but has been introduced into Europe, where it is now widespread. Understanding of how this species functions in its non-native range is limited. We measured pitcher morphology and prey capture by S. purpurea in its non-native range in Britain and Ireland. Pitchers were removed from different plants at each of six bogs co

Analysis of particle size distribution changes between three measurement sites in Northern Scandinavia

Measured aerosol size distributions from three measurement stations and modeled air mass trajectory data were combined to study aerosol dynamics in the boreal forest zone in Northern Scandinavia. Three approaches were used: investigation of new particle formation events, analysis of air masses arriving from ocean to continent, and study of changes in the aerosol size distributions when air masses

A shrine for the nation : The material transformation of the Lovćen site in Montenegro

Mount Lovćen holds significant cultural, political and religious symbolism in Montenegro, especially due to the fact that the mountain is the last resting place of the prince-bishop and national poet Petar II Petrovich-Njegoš (1813–1851). In the twentieth century the grave of Njegoš has undergone profound material transformations. Each of these transformations has led to heated debates about the s

Alternative site for the placement of totally implantable vascular access device (TIVAD). A case report of two successful TIVAD implantations in the thigh after femoral vein catheterization

Background: Totally implantable venous access devices (TIVADs) have improved the quality of life for seriously ill and cancer patients. These devices represent a convenient option when long-term venous access is indicated. The Subclavian and Internal Jugular Veins are the vessels of choice for catheterization [1]. However, if it is not possible to catheterize them, an alternative vein should be so

Method comparison of indirect assessments of understory leaf area index (LAIu) : A case study across the extended network of ICOS forest ecosystem sites in Europe

Leaf area index (LAI) is a key ecological indicator for describing the structure of canopies and for modelling energy exchange between atmosphere and biosphere. While LAI of the forest overstory can be accurately assessed over large spatial scales via remote sensing, LAI of the forest understory (LAIu) is still largely ignored in ecological studies and ecosystem modelling due to the fact that it i