Homogeneous Oxygenase Catalysis

10.1021/acs.chemrev.7b00193

2018-04-09

Oxygenases-catalyzed reductive activation of molecular oxygen and incorporation of O atoms into an organic molecule is undoubtedly one of the most attractive research areas. Typically, these oxygenation reactions proceed with high selectivity and reactivity, ...

Conducting Polymers in the Fields of Energy, Environmental Remediation, and Chemical–Chiral Sensors

10.1021/acs.chemrev.7b00482

2018-04-09

Conducting polymers (CPs), thanks to their unique properties, structures made on-demand, new composite mixtures, and possibility of deposit on a surface by chemical, physical, or electrochemical methodologies, have shown in the last years a renaissance and ha...

Quantum Interference, Graphs, Walks, and Polynomials

10.1021/acs.chemrev.7b00733

2018-04-09

In this paper, we explore quantum interference (QI) in molecular conductance from the point of view of graph theory and walks on lattices. By virtue of the Cayley–Hamilton theorem for characteristic polynomials and the Coulson–Rushbrooke pairing theorem for a...

Modern Approaches for Asymmetric Construction of Carbon–Fluorine Quaternary Stereogenic Centers: Synthetic Challenges and Pharmaceutical Needs

10.1021/acs.chemrev.7b00778

2018-04-02

New methods for preparation of tailor-made fluorine-containing compounds are in extremely high demand in nearly every sector of chemical industry. The asymmetric construction of quaternary C–F stereogenic centers is the most synthetically challenging and, con...

From “Cellular” RNA to “Smart” RNA: Multiple Roles of RNA in Genome Stability and Beyond

10.1021/acs.chemrev.7b00487

2018-03-30

Coding for proteins has been considered the main function of RNA since the “central dogma” of biology was proposed. The discovery of noncoding transcripts shed light on additional roles of RNA, ranging from the support of polypeptide synthesis, to the assembl...

Electronic Properties of N-Heterocyclic Carbenes and Their Experimental Determination

10.1021/acs.chemrev.8b00067

2018-03-30

N-Heterocyclic carbenes (NHCs) have become without doubt one of the most exciting and popular species in chemical science due to the ease of their preparation and modularity in stereoelectronic properties. Numerous types of NHCs have been prepared, and variou...

Substrate Directed Asymmetric Reactions

10.1021/acs.chemrev.7b00514

2018-03-23

Historically, reagent controlled reactions (mechanism controlled reactions) have played a significant role in the asymmetric synthesis of complex structures. In contrast, today’s asymmetric synthesis is greatly dependent on substrate directed approaches. In t...

Design and Mechanism of GABA Aminotransferase Inactivators. Treatments for Epilepsies and Addictions

10.1021/acs.chemrev.8b00009

2018-03-23

When the brain concentration of the inhibitory neurotransmitter γ-aminobutyric acid (GABA) diminishes below a threshold level, the excess neuronal excitation can lead to convulsions. This imbalance in neurotransmission can be corrected by inhibition of the en...

Flavin-Based Electron Bifurcation, A New Mechanism of Biological Energy Coupling

10.1021/acs.chemrev.7b00707

2018-03-21

There are two types of electron bifurcation (EB), either quinone- or flavin-based (QBEB/FBEB), that involve reduction of a quinone or flavin by a two-electron transfer and two reoxidations by a high- and low-potential one-electron acceptor with a reactive sem...

Spectroscopy in Complex Environments from QM–MM Simulations

10.1021/acs.chemrev.8b00026

2018-03-21

The applications of multiscale quantum–classical (QM–MM) approaches have shown an extraordinary expansion and diversification in the last couple of decades. A great proportion of these efforts have been devoted to interpreting and reproducing spectroscopic ex...