9 research outputs found

    The evolution of multiple active site configurations in a designed enzyme

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    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 follow changes in conformational sampling, electrostatic preorganization, and quantum tunneling along the evolutionary trajectory of a designed Kemp eliminase. We observe that in the Kemp Eliminase KE07, instability of the designed active site leads to the emergence of two additional active site configurations. Evolutionary conformational selection then gradually stabilizes the most efficient configuration, leading to an improved enzyme. This work exemplifies the link between conformational plasticity and evolvability and demonstrates that residues remote from the active sites of enzymes play crucial roles in controlling and shaping the active site for efficient catalysis

    Disinfection by Chemical Oxidation Methods

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    Poor quality in drinking water is primary cause of pathogen transmission and responsible of varied infectious diseases. Methods of water treatment for human consumption must pay special attention on microbiological safe disinfection. Indeed, from the past few years laws all around the world have included new, more stringent water quality parameters. Chlorination and other mainly used conventional disinfection processes usually do not achieve full inactivation of all microorganisms present in real water supplies, whereas the presence of even low concentrations of organic matter can lead to form harmful disinfection by-products. Protozoan parasites Giardia sp. and Cryptosporidium sp. are some of the microorganisms that cannot be completely inactivated via chlorination under the same contact times typical of bacteria or virus elimination. It has increased toxicological and microbiological risks as well as operational costs. Disinfection by the advanced oxidation process more intensively studied in the past few years has been reviewed including Fenton and photo-Fenton processes and photocatalytic and electro-catalytic variants; this vibrant topic still remains partially uncovered in the available scientific background, which has motivated many recent researches and publications. This chapter is then devoted to briefly review the most recent reports studying the disinfecting potential displayed by mentioned AOPs with respect to widely and currently used conventional techniques. Revision of the inactivation of water-borne pathogens including E. coli, total coliforms, parasites as Giardia and Cryptosporidium, and virus such as coliphages has focused on advantages and disadvantages in application of every particular AOP, their disinfecting mechanisms, and the main parameters affecting the disinfection response
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