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Abstract Cocrystal engineering is an efficient and simple strategy to construct functional materials, especially for the exploitation of novel and multifunctional materials. Herein, we report two kinds of nucleic-acid-base cocrystal systems that imitate the strong hydrogen bond interactions constructed in the form of complementary base pairing. The two cocrystals studied exhibit different colors of phosphorescence from their monomeric counterparts and show the feature of rare high-temperature phosphorescence. Mechanistic studies reveal that the strong hydrogen bond network stabilizes the triplet state and suppresses non-radiative transitions, resulting in phosphorescence even at 425 K. Moreover, the isolation effects of the hydrogen bond network regulate the interactions between the phosphor groups, realizing the manipulation from aggregation to single-molecule phosphorescence. Benefiting from the long-lived triplet state with a high quantum yield, the generation of reactive oxygen species by energy transfer is also available to utilize for some applications such as in photodynamic therapy and broad-spectrum microbicidal effects. In vitro experiments show that the cocrystals efficiently kill bacteria on a tooth surface and significantly help prevent dental caries. This work not only provides deep insight into the relationship of the structure-properties of cocrystal systems, but also facilitates the design of multifunctional cocrystal materials and enriches their potential applications.

Non-specific phospholipase C (NPC) is a plant-specific phospholipid-hydrolyzing enzyme. Here, the authors define the molecular basis of how Arabidopsis NPC works, and provide new mechanistic insights into the members of phospholipase family.

The transcription factor Zeb1 is known to promote tumorigenesis and stemness in breast cancer. Here the authors show that tumor endothelial Jagged1 induces activation of Notch1 signaling and increases Zeb1 expression in neighboring breast cancer stem cells, promoting tumor aggressiveness.

The VASH2/SVBP heterodimer catalyzes the detyrosination of the α-tubulin C-terminus. Here the authors provide insights into the tubulin detyrosination mechanism by determining the crystal structures of VASH2/SVBP and VASH2/SVBP in complex with a tubulin tail peptide.

Sparse immune-binding data for emerging pathogens limits the ability of existing in silico antigenicity prediction methods to aid vaccine design. Here, the authors introduce a computational method that estimates antigenic pathogen similarity based on epitope structure.

The transcriptional program activated by Smad2/Smad3 is critical for the induction and function of regulatory T cells. Here the authors show that the expression of Smad3 is modulated by the complementary functions of a methyltransferase Ash1l and an lncRNA lnc-Smad3 on the promoter accessibility of the mouseSmad3locus.