Special Issue "Metal–Oxo Complexes"
Deadline for manuscript submissions: 31 January 2018
Prof. Dr. Samuel De Visser
Manchester Institute of Biotechnology and School of Chemical Engineering and Analytical Science, The University of Manchester, 131 Princess Street, Manchester M1 7DN, United Kingdom
Website | E-Mail
Interests: computational chemistry; density functional theory; QM/MM; reaction mechanisms; biomimetic models
Nature utilizes metalloenzymes for important biotransformations, ranging from biosynthesis to biodegradation of compounds. Often, molecular oxygen is used on a catalytic center and converted into a high-valent metal–oxo species. For instance, the active species of typical drug metabolizing enzymes in the human liver, namely the cytochromes P450, is an iron(IV)–oxo heme species called Compound I. However, the ligand system of these metal–oxo species strongly affects the reactivity and chemical properties so that heme and non-heme metal–oxo species have different properties and functionalities. Due to the short lifetime of these metal–oxo complexes, they are difficult to trap and characterize experimentally but in recent year’s advances through the use of biomimetic and synthetic model complexes alongside computational modelling has been made. These combinations of experimental and computational studies on synthetic models and enzymes has given insight into the reactivity patterns of these systems, as well as the properties and structure that determine the reactivity patterns. Thus, metal–oxo species are efficient oxidants that react with substrates through oxygen atom transfer, dehydrogenation, but also may be intermediates in water oxidation processes in general catalysis. Therefore, they are important intermediates in catalysis and biochemistry and understanding their intrinsic chemical features enables future design of novel catalysts.
Prof. Dr. Sam P. de Visser
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Inorganics is an international peer-reviewed open access quarterly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 550 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- high-valent metal–oxo species
- transition metal oxo complexes
- computational chemistry
- density functional theory
- reaction mechanisms
- biomimetic models