DFT Predirected Molecular Engineering Design of Donor-Acceptor Structured g-C3 N4 for Efficient Photocatalytic Tetracycline Abatement.

The photocatalytic environmental decontamination ability of carbon nitride (g-C3 N4 , CN) typically suffers from their inherent structural defects, causing rapid recombination of photogenerated carriers. Conjugating CN with tailored donor-acceptor (D-A) units to counteract this problem through electronic restructuring becomes a feasible strategy, where confirmation by density functional theory (DFT) calculations becomes indispensable. Herein, DFT is employed to predirect the copolymerization modification of CN by benzene derivatives, screening benzaldehyde as the optimal electron-donating candidate for the construction of reoriented intramolecular charge transfer path. Experimental characterization and testing corroborate the formation of a narrowed bandgap as well as high photoinduced carrier separation. Consequently, the optimal BzCN-2 exhibited superior photocatalytic capacity in application for tetracycline hydrochloride degradation, with 3.73 times higher than that of CN. Besides, the BzCN-2-based photocatalytic system is determined to have a toxicity-mitigating effect on TC removal via T.E.S.T and prefers the removal of dissociable TC2- species under partial alkalinity. This work provides insight into DFT guidance for the design of D-A conjugated polymer and its application scenarios in photocatalytic decontamination.

The application of transition metal-modified biochar in sulfate radical based advanced oxidation processes.

Sulfate radical (SO4•-) based advanced oxidation processes (SR-AOPs) is a very important chemical oxidation technology for the degradation of recalcitrant organic pollutants in water and has been well developed. Recently, transition metals or their oxides-modified biochar has been widely used as the catalyst to catalyze peroxymonosulfate (PMS) and peroxydisulfate (PS) in SR-AOPs due to their outstanding properties (e.g., large surface area, high stability, abound catalytic sites, and diversity of material design, etc.). These composite materials not only combine the respective beneficial characteristics of biochar and transition metals (or their oxides) but also often present synergistic effects between the components. In this review, we present the synthesis of different types of transition metal (or metal oxides)/biochar-based catalysts and their application in SR-AOPs. The catalytic mechanism, including the generation process of free radicals and other reaction pathways on the surface of the catalyst were also carefully discussed. Particular attention has been paid to the synergistic effects between the components that result in enhanced catalytic performance. At the end of this review, the future development prospects of this technology are proposed.

The succession of gut microbiota in the concave-eared torrent frog (Odorrana tormota) throughout developmental history.

The gut microbiota of amphibians plays a crucial role in maintaining health and adapting to various developmental stages. The composition of gut microbial community is influenced by the phylogeny, habitat, diet, and developmental stage of the host. The present study analyzed the microbiota in the intestine of O. tormota at 11 developmental stages (from the tadpole at Gosner stage 24 to the 3-year-old adult) using high-throughput 16S rRNA sequencing. Alpha diversity index analysis of the microbiota revealed that the index decreased from tadpole at Gosner stage 24 to adult frog stage, remained stable during the adult frog stages, but increased significantly at the early metamorphosis and hibernation preparation stages. The gut microbiota structure is similar in adult frogs but differs significantly in other developmental stages. Furthermore, the dominant phyla of gut microbiota in tadpoles were Proteobacteria, Firmicutes, Actinobacteria, and Bacteroidetes, whereas those in adult frogs were Proteobacteria, Firmicutes, Bacteroidetes, and Verrucomicrobia. Host and environmental factors jointly affected the gut microbial diversity and community composition of O. tormota, but developmental stage, feeding habit, and habitat type had a more significant influence. The microbial community in the gut varies with the developmental stage of the host and constantly adapts to the survival requirements of the host. These findings advance our understanding of the evolutionary mechanism of amphibian gut microbiota in maintaining health homeostasis and adaptation.