CoMFA Directed Molecular Design for Significantly Improving Fungicidal Activity of Novel [1,2,4]-Triazolo-[3,4-b][1,3,4]-thiadizoles.

Target based molecular design via the aid of computation is one of the most efficient methods in the discovery of novel pesticides. Here, a combination of the comparative molecular field analysis (CoMFA) and molecular docking was applied for discovery of potent fungicidal [1,2,4]-triazolo-[3,4-b][1,3,4]-thiadiazoles. Bioassay results indicated that the synthesized target compounds 3a, 3b, and 3c exhibited good activity against Alternaria solani, Botrytis cinerea, Cercospora arachidicola, Fusarium graminearum, Physalospora piricola, Rhizoctonia solani, and Sclerotinia sclerotiorum with an EC50 value falling between 0.64 and 16.10 µg/mL. Specially, 3c displayed excellent fungicidal activity against C. arachidicola and R. solani, which was 5 times more potent than the lead YZK-C22. The enzymatic inhibition assay and fluorescence quenching analysis with R. solani pyruvate kinase (RsPK) showed a weaker binding affinity between RsPK and 3a, 3b, or 3c. Transcriptomic analyses showed that 3c exerted its fungicidal activity by disrupting steroid biosynthesis and ribosome biogenesis in eukaryotes. These findings support that 3c is a promising fungicide candidate, and a fine modification from a lead may lead to a totally different mode of action.

Novel Organic-Inorganic Hybrid Polystyrene Nanoparticles with Trichromatic Luminescence for the Detection of Latent Fingerprints.

This article explored the application of novel organic-inorganic hybrid polystyrene nanoparticles (PSNPs) with trichromatic luminescence for the detection of latent fingerprints. The PSNPs were synthesized by encapsulated Eu(DBM)3phen, coumarin 6, and FDBT into the polystyrene nanoparticles through the swelling method and applied them to visualize latent fingerprints. The PSNPs had a spherical morphology with an average diameter of 310.7 nm, and they emitted trichromatic fluorescence (525 nm/570 nm/610 nm) under 365 nm excitation wavelength with green/yellow/red color under filters. They were less likely to aggregate, float or stain the background when treating fingerprints. The developed fingerprints with excellent clarity of ridges and contrast could be viewed, and the digital magnification of fluorescence-developed fingerprints provided more minutiae details about some regional patterns. The colorimetric and fluorescent trichromatic light could provide complementary signals without the background interference from fluorescent substrates and/or complex multicolor surfaces, which improved the applicability of fluorescent nanoparticles for fingerprints development. PSNPs are promising for the detection of latent fingerprints and practical criminal investigations with their ease of operation, eco-friendly properties, and excellent trichromatic optical performance.