Design, Synthesis, and Pesticidal Activities of Pyrimidin-4-amine Derivatives Bearing a 5-(Trifluoromethyl)-1,2,4-oxadiazole Moiety.

It is important to discover new pesticides with new modes of action because of the increasing evolution of pesticide resistance. In this study, a series of novel pyrimidin-4-amine derivatives containing a 5-(trifluoromethyl)-1,2,4-oxadiazole moiety were designed and synthesized. Their structures were confirmed by 1H NMR, 13C NMR, and HRMS. Bioassays indicated that the 29 compounds synthesized possessed excellent insecticidal activity against Mythimna separata, Aphis medicagini, and Tetranychus cinnabarinus and fungicidal activity against Pseudoperonospora cubensis. Among these pyrimidin-4-amine compounds, 5-chloro-N-(2-fluoro-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzyl)-6-(1-fluoroethyl)pyrimidin-4-amine (U7) and 5-bromo-N-(2-fluoro-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzyl)-6-(1-fluoroethyl) pyrimidin-4-amine(U8) had broad-spectrum insecticidal and fungicidal activity. The LC50 values were 3.57 ± 0.42, 4.22 ± 0.47, and 3.14 ± 0.73 mg/L for U7, U8, and flufenerim against M. separata, respectively. The EC50 values were 24.94 ± 2.13, 30.79 ± 2.21, and 3.18 ± 0.21 mg/L for U7, U8, and azoxystrobin against P. cubensis, respectively. The AChE enzymatic activity testing revealed that the enzyme activities of compounds U7, U8, and flufenerim are 0.215, 0.184, and 0.184 U/mg prot, respectively. The molecular docking results of compounds U7, U8, and flufenerim with the AChE model demonstrated the opposite docking mode between compound U7 or U8 and positive control flufenerim in the active site of AChE. The structure-activity relationships are also discussed. This work provided excellent pesticide for further optimization. Density functional theory analysis can potentially be used to design more active compounds.

Suppression of Winfree turbulence under weak spatiotemporal perturbation.

Winfree turbulence is a chaotic wave pattern developing through negative-tension instability of scroll wave filaments in three-dimensional weak excitable media. Here, we investigate the response of Winfree turbulence to a spatiotemporal forcing in the form of a traveling-wave modulation of the medium excitability. It is shown that turbulent waves can be suppressed much more rapidly by this method, in comparison with the space-uniform modulation of the medium excitability. Since the occurrence of Winfree turbulence is currently regarded as one of the possible mechanisms underlying cardiac fibrillation, this method turns out to be suggestive of a possible low-amplitude defibrillation approach.

Suppress Winfree turbulence by local forcing excitable systems.

The occurrence of Winfree turbulence is currently regarded as one of the principal mechanisms underlying cardiac fibrillation. We develop a local stimulation method that suppresses Winfree turbulence in three-dimensional excitable media. We find that Winfree turbulence can be effectively suppressed by locally injecting periodic signals to only a very small subset (around some surface region) of total space sites. Our method for the first time demonstrates the effectiveness of local low-amplitude periodic excitations in suppressing turbulence in 3D excitable media and has fundamental improvements in efficiency, convenience, and turbulence suppression speed compared with previous strategies. Therefore, it has great potential for developing into a practical low-amplitude defibrillation approach.

Drift of rigidly rotating spirals under periodic and noisy illuminations.

Under the weak deformation approximation, the motion of rigidly rotating spirals induced by periodic and noisy illuminations are investigated analytically. We derive an approximate but explicit formula of the spiral drift velocity directly from the original reaction-diffusion equation. With this formula we are able to explain the main features in the periodic and noisy illuminations induced spiral drift problems. Numerical computations of the Oregonator model are carried out as well, and they agree with the main qualitative conclusions of our analytical results.