Atomically Engineered Chlorine Coordination of Iron in Active Centers for Selectively Catalytic HO Decomposition Toward Efficient Antitumor-Specific Therapy.

The intervention of endogenous HO via nanozymes provides a potential antitumor-specific therapy; however, the role of the nanozyme structure in relation to the selective decomposition of HO to hydroxyl radicals (•OH) is yet to be fully understood, which limits the development of this therapeutic approaches. Herein, an iron single-atom nanozyme (Fe─NCl─C SAzyme) is reported, which is prepared through precise Fe─Cl coordination based on the construction of a characteristic Fe-containing molecule. Fe─NCl─C exhibits efficient catalytic HO decomposition (2.

Mechanistic Insight into the Chemiluminescent Decomposition of Dioxetanone and the Chemiluminescent, Fluorescent Properties of the Light Emitter of Bioluminescence.

bioluminescence has been increasingly used in bioimaging, bioanalysis, and biomedicine, due to high quantum yield and high signal-to-noise ratio. However, there is still no consensus regarding different aspects of the chemiluminescent mechanism of this system, which impairs the development of new applications. Herein, we have used a theoretical DFT and TD-DFT approach to (i) determine the identity of the dioxetanone species responsible for efficient chemiexcitation and (ii) identify the bioluminescent emitter and determine if light-emission occurs from the fluorescent or chemiluminescent state.

Controllable Synthesis and Characterization of AuPd Nanowire Networks with High Electrocatalytic Performance.

A simple and efficient method is proposed for the synthesis of bimetallic AuPd nanowire networks (NWs) with tunable compositions by using KBr as a structure-directing agent and NaBH₄ as a reducing agent. TEM, XRD and XPS results show that the AuPd NWs have a unique one-dimensional network structure. Electrochemical tests indicate that the AuPd NWs catalysts have excellent electrocatalytic activity and durability for methanol oxidation due to the special one-dimensional nanostructure and many structural defects at the junction.

Bottom-Up Construction of Active Sites in a Cu-N-C Catalyst for Highly Efficient Oxygen Reduction Reaction.

Bottom-up construction of efficient active sites in transition metal-nitrogen-carbon (M-N-C) catalysts for oxygen reduction reaction (ORR) from single molecular building blocks remains one of the most difficult challenges. Herein, we report a bottom-up approach to produce a highly active Cu-N-C catalyst with well-defined Cu-N coordination sites derived from a small molecular copper complex containing Cu-N moieties. The Cu-N moieties were found to be covalently integrated into graphene sheets to create the Cu-N active sites for ORR.

Pd@C core-shell nanoparticles on carbon nanotubes as highly stable and selective catalysts for hydrogenation of acetylene to ethylene.

Developing highly selective and stable catalysts for acetylene hydrogenation is an imperative task in the chemical industry. Herein, core-shell Pd@carbon nanoparticles supported on carbon nanotubes (Pd@C/CNTs) were synthesized. During the hydrogenation of acetylene, the selectivity of Pd@C/CNTs to ethylene was distinctly improved.

A Computational Investigation of the Equilibrium Constants for the Fluorescent and Chemiluminescent States of Coelenteramide.

In spite of recent advances in understanding the mechanism of coelenterate bioluminescence, there is no consensus about which coelenteramide specie and/or state are the light emitter. In this study, a systematic investigation of the geometries and spectra of all possible light emitters has been performed at the TD ωB97XD/6-31+G(d) level of theory, including various fluorescent and chemiluminescent states in vacuum, in a hydrophobic environment and in aqueous solution. To deduce the most probable form of the fluorescent and chemiluminescent coelenteramide emitter, the equilibrium constants for the fluorescent and chemiluminescent states connecting the various species have been calculated.

Catechol degradation on hematite/silica-gas interface as affected by gas composition and the formation of environmentally persistent free radicals.

Environmentally persistent free radicals (EPFRs) formed on a solid particle surface have received increasing attention because of their toxic effects. However, organic chemical fate regulated by EPFRs has rarely been investigated, and this information may provide the missing link in understanding their environmental behavior. Previous studies have suggested that the reduction of transition metals is involved in EPFRs formation.

Diaqua-bis-(4,4'-bipyridine-κN)bis-(2,4,5-trifluoro-3-hy-droxy-benzoato-κO)manganese(II).

In the title compound, [Mn(C(7)H(2)F(3)O(3))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)], the Mn(II) ion, situated on a centre of inversion, has a distorted octa-hedral coordination geometry and is coordinated by two N atoms from two 4,4'-bipyridine ligands, two O atoms from two 2,4,5-trifluoro-3-hy-droxy-benzoate ligands and two water mol-ecules. Inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into a chain along the a axis. Inter-actions between neighboring chains occur through O-H⋯O hydrogen bonds, which link the chains into a two-dimensional supra-molecular network parallel to the ac plane.