The enhancement of nonlinear optical properties of azulene-based nanographene by N atoms: a finishing touch.

Nonlinear optical (NLO) materials play an increasingly important role in optoelectronic devices, biomedicine, micro-nano processing, and other fields. The development of organic materials with strong second or (and) third NLO properties and a high stability is still challenging due to the unknown strategies for obtaining enhanced high order NLO properties. In the present work, π-conjugated systems are constructed by doping boron or (and) nitrogen atoms in the azulene moiety of azulene-based nanographenes (formed with an azulene chain with two bridging HCCHs at the two sides of the connecting CC bonds between azulenes, A1A2A3), and the NLO properties are predicted with time-dependent density functional theory based methods and a sum-over-states model. The doping of heteroatoms induces charge redistribution, tunes the frontier molecular orbital energy gap, changes the composition of some frontier molecular orbitals, and affects the NLO properties of those nanographenes. Among the designed nanographenes, the azulene-based nanographene with two nitrogen atoms at the two ends has the largest static first hyperpolarizability (91.30 × 10-30 esu per heavy atom), and the further introduction of two N atoms at the two ends of the central azulene moiety of this nanographene results in a large static second hyperpolarizability while keeping the large static first hyperpolarizability.

[Effects of Activated Carbon on the Fate of Antibiotic Resistance Genes During Anaerobic Digestion of the Organic Fraction of Municipal Solid Waste].

The organic fraction of municipal solid waste (OFMSW) has become one of the sources and reservoirs of antibiotic resistance genes (ARGs). It is essential to explore the fate of ARGs during biological treatment of OFMSW. Therefore, the changes in several types of ARGs and integron genes during anaerobic digestion of the OFMSW were analyzed by quantitative PCR. Furthermore, the effects of different particle sizes of activated carbon on the behaviors of the target genes and the potential microbial mechanisms of ARGs dynamics were investigated. The results showed that the total ARGs in the initial system were reduced after anaerobic digestion with or without the presence of activated carbon. The removal rate of the absolute abundance of total ARGs was 29.95%-63.40%. In the final system of anaerobic digestion of the OFMSW, the abundance of total ARGs in powdered activated carbon (PAC) groups was significantly higher than that in the control group (P<0.05). The supplementation of PAC inhibited the reduction of ARGs, and the supplementation of granular activated carbon had no significant effect on the change in ARGs. The potential host bacteria of ARGs were mainly Clostridia, Bacteroidia, and Synergistia during anaerobic digestion. The enrichment of host bacteria caused by PAC addition was the main reason for the increase in the target genes. Moreover, Clostridia might have been the main driving factor for the growth and decline of ARGs. These results will help us to understand the dissemination of ARGs and the impacts of activated carbon addition on ARGs during anaerobic digestion of the OFMSW.

The isomeric effect of mercaptobenzoic acids on the preparation and fluorescence properties of copper nanoclusters.

A one-pot approach has been developed to synthesize copper nanocluster (Cu NC) aggregates from copper nitrate and mercaptobenzoic acid (MBA). Cu NCs prepared separately in the three isomers of MBA exhibit different physical and optical properties.

Detection of hydrogen sulfide through photoluminescence quenching of penicillamine-copper nanocluster aggregates.

We have developed a one-pot, inexpensive, simple and rapid method to synthesize photoluminescent copper nanocluster (Cu NC) aggregates from Cu(2+) ions in 65% (v v(-1)) dimethylformamide aqueous solution containing penicillamine (PA) as a capping and reducing agent. As-prepared PA-Cu NC aggregates emit at 580 nm when excited at 326 nm, with a quantum yield of 2.0%. The photoluminescence of PA-Cu NC aggregates originate from ligand-to-metal charge transfer, which is supported by a long lifetime (126.5 ns) and a large Stokes shift (254 nm). As-prepared PA-Cu NC aggregates have different emission wavelengths with the same excitation wavelength in various organic-aqueous solutions. The PA-Cu NC aggregates are highly selective and sensitive to the detection of hydrogen sulfide (H2S), based on analyte-induced photoluminescence quenching through the formation of CuS nanoparticles. The probe allows the detection of H2S, with a linear range of 1-100 µM and a limit of detection (signal-to-noise ratio = 3) of 500 nM. The practicality of this probe has been validated through the analysis of hot spring water samples.

Photoluminescent AuCu bimetallic nanoclusters as pH sensors and catalysts.

A facile and one-pot approach to the preparation of gold (Au) and copper (Cu) bimetallic nanoclusters (NCs) is unveiled. AuCu NCs reveal features of orange photoluminescence (PL), reversible pH-dependent PL properties, and efficient catalytic activity for degradation of methylene blue (MB).