Synthesis and fungicidal activity of novel 2-(2-alkylthio-6-phenylpyrimidin-4-yl)-1H-benzimidazoles.

With the aim of exploring new benzimidazole derivative with high fungicidal activity, a series of novel 2-(2-(alkylthio)-6-phenylpyrimidin-4-yl)-1H-benzimidazoles were designed and synthesized, and their in vitro fungicidal activities were evaluated. Compounds 5a, 5f, 5g, 5h, 5i and 5l exhibited excellent fungicidal activities against Botrytis cinerea, and 5c, 5f, 5h, 5i and 5l displayed notable fungicidal activities against Sclerotinia sclerotiorum. Among them, compound 5i (R1 = fluorine, R2 = benzyl) displayed the best activity towards the two tested fungi. Docking study of 5i with ß-tubulin protein revealed that the NH moiety of benzimidazole ring generated a hydrogen bond with Gln-11 residue, and the fluorine atom of benzene ring formed a hydrogen bond with Tyr-208 residue, respectively; the benzene ring of Tyr-222 and the pyrimidine ring of 5i yielded a π-π interaction. The molecular electrostatic potential analysis elucidated the nitrogen atom of benzimidazole ring, fluorine atom of benzene ring and sulfur atom of thioether moiety were located in the negative potential regions, whereas some hydrogen atoms of benzene, benzimidazole and pyrimidine rings were located in the positive potential regions. This analysis demonstrated the reason why 5i can form hydrogen bonds with amino acid residues of target protein.

A Review of Thin-Film Magnetoelastic Materials for Magnetoelectric Applications.

Since the revival of multiferroic laminates with giant magnetoelectric (ME) coefficients, a variety of multifunctional ME devices, such as sensor, inductor, filter, antenna etc. have been developed. Magnetoelastic materials, which couple the magnetization and strain together, have recently attracted ever-increasing attention due to their key roles in ME applications. This review starts with a brief introduction to the early research efforts in the field of multiferroic materials and moves to the recent work on magnetoelectric coupling and their applications based on both bulk and thin-film materials. This is followed by sections summarizing historical works and solving the challenges specific to the fabrication and characterization of magnetoelastic materials with large magnetostriction constants. After presenting the magnetostrictive thin films and their static and dynamic properties, we review micro-electromechanical systems (MEMS) and bulk devices utilizing ME effect. Finally, some open questions and future application directions where the community could head for magnetoelastic materials will be discussed.

Synthesis and fungicidal activity of novel benzimidazole derivatives bearing pyrimidine-thioether moiety against Botrytis cinerea.

BACKGROUND: Botrytis cinerea is a serious plant fungus and strongly affects the yield and quality of crops. The main control strategy is the employment of fungicides. To research for efficient fungicide with novel structure, a series of novel benzimidazole derivatives bearing pyrimidine and thioether moieties were designed and synthesized. RESULTS: Some target compounds such as 4h, 4i, 4k, 4l, 4m, 4s, 4t and 4u exhibited notable fungicidal activities, with half maximal effective concentration (EC50 ) values in the range 0.13-0.24 µg mL-1 , which means that their activities were comparable or higher than that of carbendazim (EC50 = 0.21 µg mL-1 ). Among them, N-(4-fluorophenyl)-2-((4-(1H-benzimidazol-2-yl)-6-(4-methoxyphenyl) pyrimidin-2-yl)thio)acetamide (4m) displayed the best activity (EC50 = 0.13 µg mL-1 ). Molecular electrostatic potential analysis of 4m elucidated that the NH moiety of benzimidazole ring was located in the positive potential region and may generate hydrogen bond with target amino acid residue. Molecular docking analysis revealed that there was one hydrogen bond and one 𝜋-𝜋 interaction between 4m and target protein. CONCLUSIONS: This study demonstrated that the benzimidazole derivatives bearing pyrimidine and thioether moieties can be further optimized as a lead compound for the control of B. cinerea. The combination of molecular electrostatic potential and molecular docking analyses may provide a valuable reference for studying the interaction between the ligand and target protein. © 2021 Society of Chemical Industry.