Metal ion modeling using classical mechanics

P Li, KM Merz Jr - Chemical reviews, 2017 - ACS Publications
Metal ions play significant roles in numerous fields including chemistry, geochemistry,
biochemistry, and materials science. With computational tools increasingly becoming …

The mononuclear molybdenum enzymes

R Hille, J Hall, P Basu - Chemical reviews, 2014 - ACS Publications
Molybdenum is the only second-row transition metal required by most living organisms, and
is nearly universally distributed in biology. Enzymes containing molybdenum in their active …

Proton-coupled electron transfer

MHV Huynh, TJ Meyer - Chemical Reviews, 2007 - ACS Publications
At the core of many important energy conversion processes in chemistry and biology are
oxidation-reduction reactions in which both electrons and protons are transferred. An …

Nitrate and periplasmic nitrate reductases

C Sparacino-Watkins, JF Stolz, P Basu - Chemical Society Reviews, 2014 - pubs.rsc.org
The nitrate anion is a simple, abundant and relatively stable species, yet plays a significant
role in global cycling of nitrogen, global climate change, and human health. Although it has …

Enzyme mimetic active intermediates for nitrate reduction in neutral aqueous media

Y Li, YK Go, H Ooka, D He, F Jin… - Angewandte Chemie …, 2020 - Wiley Online Library
Nitrate is a pervasive aquatic contaminant of global environmental concern. In nature, the
most effective nitrate reduction reaction (NRR) is catalyzed by nitrate reductase enzymes at …

Molybdenum-containing hydroxylases

R Hille - Archives of biochemistry and biophysics, 2005 - Elsevier
Unlike monooxygenases, molybdenum-containing hydroxylases catalyze the hydroxylation
of carbon centers using oxygen derived ultimately from water, rather than O2, as the source …

Cu-ZSM-5: A biomimetic inorganic model for methane oxidation

P Vanelderen, RG Hadt, PJ Smeets, EI Solomon… - Journal of catalysis, 2011 - Elsevier
The present work highlights recent advances in elucidating the methane oxidation
mechanism of the inorganic Cu-ZSM-5 biomimic and in identifying the reactive intermediates …

Mononuclear organomolybdenum (VI) dioxo complexes: synthesis, reactivity, and catalytic applications

FE Kuehn, AM Santos, M Abrantes - Chemical reviews, 2006 - ACS Publications
Metal oxides are important in numerous catalytic industrial processes. The desire for models
of the metal oxide catalytic activity has contributed to the development of the research …

Molybdenum and tungsten-containing formate dehydrogenases: Aiming to inspire a catalyst for carbon dioxide utilization

LB Maia, I Moura, JJG Moura - Inorganica Chimica Acta, 2017 - Elsevier
The global energy demand and the present high dependence on fossil fuels have caused
an unprecedented increase in the Earth's atmosphere carbon dioxide concentration. Its …

Massive volume fly-ash concrete: A more sustainable material with fly ash replacing cement and aggregates

F Rivera, P Martínez, J Castro, M López - Cement and Concrete …, 2015 - Elsevier
Fly ash (FA) has been widely used to improve concrete sustainability for many years;
however, the amount of FA has been limited by the relatively low cement contents in …