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MILS-15 provides an up-to-date review of the metalloenzymes involved in the activation, production, and conversion of molecular oxygen as well as the functionalization of the chemically inert gases methane and ammonia. Found either in aerobes (humans, animals, plants, microorganisms) or in anaerobes (so-called “impossible bacteria”) these enzymes employ preferentially iron and copper at their active sites, in order to conserve energy by redox-driven proton pumps, to convert methane to methanol, or ammonia to hydroxylamine or other compounds. When it comes to the light-driven production of molecular oxygen, the tetranuclear manganese cluster of photosystem II must be regarded as the key player. However, dioxygen can also be produced in the dark, by heme iron-dependent dismutation of oxyanions. Metalloenzymes Mastering Dioxygen and Other Chewy Gases is a vibrant research area based mainly on structural and microbial biology, inorganic biological chemistry, and environmental biochemistry. All this is covered in an authoritative manner in 7 stimulating chapters, written by 21 internationally recognized experts, and supported by nearly 1100 references, informative tables, and over 140 illustrations (many in color). MILS-15 provides excellent information for teaching; it is also closely related to MILS-14, The Metal-Driven Biogeochemistry of Gaseous Compounds in the Environment.  Peter M. H. Kroneck is a bioinorganic chemist who is exploring the role of transition metals in biology, with a focus on functional and structural aspects of microbial iron, copper, and molybdenum enzymes and their impact on the biogeochemical cycles of nitrogen and sulfur. Martha E. Sosa Torres is an inorganic chemist, with special interests in magnetic properties of newly synthesized transition metal complexes and their reactivity towards molecular oxygen, applying kinetic, electrochemical, and spectroscopic techniques.

Biomedicine. --- Biomedicine general. --- Medicine. --- Médecine --- Metal complexes. --- Metalloenzymes. --- Oxygen -- Metabolism. --- Oxygen --- Metabolism. --- Complex compounds --- Chalcogens --- Nonmetals --- Photosynthetic oxygen evolution --- Enzymes --- Metalloproteins --- Clinical sciences --- Medical profession --- Human biology --- Life sciences --- Medical sciences --- Pathology --- Physicians --- Biomedicine, general. --- Health Workforce --- Metal-containing enzymes --- Transition-metal-containing enzymes

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This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both a convincing validation of the method and significant new insights into the chemical dynamics and molecular determinants of the experimental data. Hence, the method presented in the thesis has the potential to become a very important contribution to the rapidly growing field of femtosecond x-ray science, a trend reflected in the several free-electron x-ray lasers (XFELs) currently being built around the world.   Light-induced chemical processes are accompanied by molecular motion of electrons and nuclei on the femtosecond time scale. Uncovering these dynamics is central to our understanding of the chemical reaction on a fundamental level.   Asmus O. Dohn has implemented a highly efficient QM/MM Direct Dynamics method for predicting the solvation dynamics of transition metal complexes in solution.

Chemistry. --- Theoretical and Computational Chemistry. --- Spectroscopy/Spectrometry. --- Physical Chemistry. --- Spectroscopy. --- Chemistry, Physical organic. --- Chimie --- Chemical reactions -- Simulation methods. --- Metal complexes. --- Molecular dynamics -- Simulation methods. --- Molecular structure. --- Chemistry --- Physical Sciences & Mathematics --- Physical & Theoretical Chemistry --- Molecular dynamics --- Chemical reactions --- Simulation methods. --- Structure, Molecular --- Reactions, Chemical --- Dynamics, Molecular --- Physical chemistry. --- Chemistry, Physical and theoretical. --- Complex compounds --- Chemical structure --- Structural bioinformatics --- Chemical processes --- Dynamics --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Analysis, Spectrum --- Spectra --- Spectrochemical analysis --- Spectrochemistry --- Spectroscopy --- Chemistry, Analytic --- Interferometry --- Optics --- Radiation --- Wave-motion, Theory of --- Absorption spectra --- Light --- Spectroscope --- Physical sciences --- Qualitative --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Spectrometry --- Analytical chemistry