In micro-electromechanical systems, flexible pumps are critical for their integrability and compliance across diverse fields such as microfluidics and soft robotics. While most designs rely on periodic deformation of soft membranes, their performance is often limited by unpredictable displacement. This study introduced a novel full structural flexible pumping concept based on a reciprocating liquid metal piston (LMP), which was driven by a pressure difference generated through phase-change of a low-boiling-point fluid. The LMP eliminated the traditional rigid crank connecting rod mechanism and enabled compact, silent, and fully flexible operation. We conducted a series of tests on its kinematic performance, temperature response, and cycling repeatability in air and underwater environments. As a functional demonstration, the LMP was integrated into a robotic fish for active buoyancy regulation, successfully realizing reversible ascent and descent under low-voltage actuation. It is expected that this work could provide a new pathway toward precise and reliable micro-flow control in next-generation flexible machinery.

BACKGROUND:With increasing resistance to traditional fungicides and growing environmental concerns, it is crucial to develop novel succinate dehydrogenase inhibitors to enhance disease management and support sustainable agriculture. RESULTS:This study systematically designed and synthesized a series of nicotinohydrazides bearing a biphenyl fragment, evaluating their antifungal activity against six plant pathogenic fungi. The results demonstrated that their fungicidal spectrum significantly surpasses boscalid and carbendazim. Utilizing a palladium-catalyzed cross-coupling strategy, combined with diazotization-reduction and dehydration condensation reactions, we successfully synthesized 35 target compounds (F1-F18, G1-G17). Antifungal assays revealed that most compounds exhibited more than 80% inhibition against the tested fungi at a concentration of 20 mg/L, particularly compound F17, which showed a half-maximal effective concentrations value ranging from 0.33 to 2.77 mg/L and achieved an efficacy of 89.94% against Sclerotinia sclerotiorum on canola leaves at a concentration of 200 mg/L. Mechanistic investigations indicated that F17 exerts its antifungal effects through multiple mechanisms, including the inhibition of succinate dehydrogenase, disruption of cell membranes and induction of oxidative damage. Toxicity predictions and cytotoxicity assays assessed the safety of this series of compounds. Density functional theory and molecular electrostatic potential analyses elucidated the reasons for the high activity of F17. CONCLUSION:Nicotinohydrazide derivatives exhibit a broader spectrum of antifungal activity than traditional inhibitors, and their multiple mechanisms of action provide a theoretical basis for further structural optimization and the design of novel agrochemicals. © 2026 Society of Chemical Industry.

This study aimed to develop novel and highly effective antifungal agents to control key plant diseases. Based on the 2-chloronicotinohydrazide core structure, 22 new nicotinohydrazide derivatives were designed and synthesized by optimizing phenoxy substitution sites. Antifungal evaluation revealed that this series of compounds possess highly effective broad-spectrum fungicidal activity. Among them, compound J15 exhibited particularly outstanding inhibitory activity against Rhizoctonia solani (EC50 = 0.13 μg/mL), and its control efficacy in both detached leaf assays and rice pot tests was superior to that of boscalid. Molecular docking revealed that J15 enhances its binding affinity to succinate dehydrogenase (SDH) through a hydrophobic interaction network formed by key amino acid residues (ILE40C, ARG43C). This result aligns with J15's IC50 value being 1.8-fold lower than that of boscalid. Mechanistic studies demonstrated that J15 exerts its fungicidal action by inhibiting SDH, thereby inducing reactive oxygen species (ROS) accumulation, and cell membrane damage, as evidenced by mitochondrial membrane potential depolarization and increased PI uptake. Regarding safety, J15 has minimal effects on the viability of human lung cells (BEAS-2B) and human liver cells (THLE-2) within the effective antifungal concentration range (0.28-3.4 μM) and agricultural-related concentrations (<1 μM), with cell viability remaining above 98 %. These findings position J15 as a promising lead for next-generation, dual-mechanism SDHIs with improved resistance profiles and safety.

Seven novel 4-(tert-butyl)-5-(1,2,4-triazole-1-yl)thiazole derivatives containing benzoxazinone (B1-B7) were obtained by cyclization of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-benzyl)thiazol-2-amine. The chemical structures of the target compounds were confirmed by 1H NMR and 13C NMR. The single crystal X-ray diffraction revealed that B1 crystallizes in a triclinic system with the space group P1¯. Hirshfeld surfaces and two dimensional (2D) fingerprint plots were employed to quantitatively characterize the influence of intermolecular interactions within the crystal lattice of B1. And the molecular electrostatic potential (MEP) surface was calculated employing Becke-3-Lee Yang Parr (B3LYP)/6-311++G (d,p) theoretical approach. Meanwhile, the Frontier-molecular orbitals of B1 and B2 were calculated using density functional theory (DFT) B3LYP technique with the def2-SVP basis set in the ground state. Preliminary biological tests revealed that the title compounds had certain antitumor activities against three cell lines MCF-7, Hela and A549, and compound B2 presented the most potent antitumor efficacy against A549.

BACKGROUND:Succinate dehydrogenase (SDH) represents a critical target in the development of novel fungicides. To address the growing issue of resistance and safeguard the economic viability of agricultural production, the pursuit of new succinate dehydrogenase inhibitors (SDHIs) has emerged as a significant focus of contemporary research. RESULTS:In this project, 32 arylhydrazine derivatives containing diphenyl ether structural units were synthesized and evaluated for their fungicidal activities against Rhizoctonia solani, Sclerotinia sclerotiorum, Alternaria alternata, Gibberella zeae, Alternaria solani and Colletotrichum gloeosporioides. In an in vitro fungicidal activity assay, compound D6 showed significant inhibitory activity against R. solani with a half-maximum effective concentration (EC50) of 0.09 mg L-1. The in vivo fungicidal activity demonstrated that compound D6 inhibited R. solani by 95.39% in rice leaves, which was significantly better than that of boscalid (85.76%). The results of SDH enzyme assay, molecular docking simulation, mitochondrial membrane potential assay, cytoplasmic release studies and morphological observations demonstrated that the target compound D6 not only had significant SDH inhibitory activity, but also affected the membrane integrity of mycelium. CONCLUSION:Bioactivity screening and validation of the mechanism of action indicated that compound D6 was a potentially unique SDHI, acting on SDH while also affecting cell membrane permeability, which deserved further study. © 2024 Society of Chemical Industry.

Seven novel 4-(tert-butyl)-5-(1H-1,2,4-triazole-1-yl)thiazole derivatives containing benzoxazinone (B1-B7) were obtained by cyclization of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-benzyl)thiazol-2-amine. The chemical structures of the target compounds were confirmed by 1H NMR and 13C NMR. The single crystal X-ray diffraction revealed that B1 crystallizes in a triclinic system with the space group P1. Hirshfeld surfaces and two dimensional (2D) fingerprint plots were employed to quantitatively characterize the influence of intermolecular interactions within the crystal lattice of B1. And the molecular electrostatic potential (MEP) surface was calculated employing Becke-3-Lee Yang Parr (B3LYP)/6-311++G (d,p) theoretical approach. Meanwhile, the Frontier-molecular orbitals of B1 and B2 were calculated using density functional theory (DFT) B3LYP technique with the def2-SVP basis set in the ground state. Preliminary biological tests revealed that the title compounds had certain antitumor activities against three cell lines MCF-7, Hela and A549, and compound B2 presented the most potent antitumor efficacy against A549.

A series of 4-methyl-5-(3-phenylacryloyl)thiazoles based on chalcones were designed, synthesized and evaluated for their influenza neuraminidase (NA) inhibitory activity in vitro. A preliminary structure–activity relationship (SAR) analysis showed that thiazoles bearing amide had greater potency. It also showed that mono-hydroxyl group at 4-position on phenyl ring was more effective than other electron-releasing groups or electron-withdraw groups. Compounds A2 and A26 were more potent against NA with IC50 values of 8.2 ± 0.5 μg/mL and 6.2 ± 1.4 μg/mL, respectively. Molecular docking study demonstrated that thiazoles skeleton was benefit for the NA inhibitory activity.

Iodized salts are widely used as mediators to promote C-H functionalization. Solvents and additives have been described as significant roles in these reactions. However, the further electrochemical investigations have rarely been reported. Herein, a KI mediated electrochemical annulation between acetophenones and 2-amniopyridines was developed. We revealed the effect of acids and solvents by cyclic voltammetry(CV), differential pulse voltammetry(DPV), and square wave voltammetry(SWV). The oxidation of 2-aminopyridine is inhibited at the potential window with the addition of strong acids, and the lowest oxidation potential difference of KI was obtained by utilizing EtOH as solvent. The experimental studies also show that the mixture solvent of EtOH/DMSO(9/1, volume ratio) facilitates the electrochemical cyclization due to the solubility improvement of KI. CF3SO3H has been screened as the optimal acid. A range of Imidazo[1,2-a]-pyridines have been synthesized in yields of 42% to 96%. Electrochemical investigations present that the KI mediated electrochemical reaction is probably solvent-dependence.

Two sets of strobilurin derivatives containing oxime ether phenyl ring or dihydrobenzofuran moiety were designed, synthesized and evaluated for their fungicidal and insecticidal activities. The structures of the target compounds were determined by 1H NMR, 13C NMR and elemental analysis, and the crystal structure of compound 3a was further determined by X-ray diffraction analysis. Some of the title compounds exhibited certain degree of fungicidal and insecticidal activities at the concentration of 500 mg/L. The control effects of compounds 1, 4a and 8 against Erysipe graminis and 1, 3a, 4a and 8 against Puccinia sorghi were all above 90%, which were close to the level of trifloxystrobin. The lethal rates of compounds 5a and 6a against Mythimna separata reached 100%, similar to that of positive control chlorantraniliprole, and the lethal rates of compounds 1, 2 and 8 against Aphis fabae were 100%, 100% and 98.6%, respectively, numerical equivalent to that of imidacloprid. Furthermore, molecular docking showed the potential mechanism for fungicidal activities of these compounds, and DFT calculation indicated that the frontier molecular orbitals and van der Waals surface electrostatic potentials could be related to insecticidal activity.

Two pathways for N-hydroxyphthalimide (NHPI)-mediated electrocatalytic oxidation using phenylacetate derivatives as template substrates were first reported for benzylic CH oxidation to oxygenated and non-oxygenated products. DFT calculation indicates that the hydrogen-atom transfer (HAT) process between phthalimido-N-oxyl (PINO) and substrate is a rate-determined step. Aromatic α-keto esters and 2-((1,3-dioxoisoindolin-2-yl)oxy)-2-aryl acetate obtained by cross-coupling between benzylic radical and PINO can be selectively synthesized through controlling the concentration of PINO radical. This method provides a deep understanding for selective weak CH oxidation using NHPI as redox mediator.

A convenient and efficient method for the generation of the iminoxy radical through anodic oxidation was developed for the synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from N-benzyl amidoximes. The transformation proceeds through 1.5-Hydrogen Atom Transfer (1,5-HAT) and intramolecular cyclization. The process features simple operation, mild conditions, broad substrate scope and high functional group compatibility, and provides a facile and practical way for the preparation of 1,2,4-oxadiazoles.

A series of 4-thiazolinone derivatives (D1-D58) were designed and synthesized. All of the derivatives were evaluated in vitro for neuraminidase (NA) inhibitory activities against influenza virus A (H1N1), and the inhibitory activities of the five most potent compounds were further evaluated on NA from two different influenza viral subtypes (H3N2 and B), and then their in vitro anti-viral activities were evaluated using the cytopathic effect (CPE) reduction assay. The results showed that the majority of the target compounds exhibited moderate to good NA inhibitory activity. Compound D18 presented the most potent inhibitory activity with IC50 values of 13.06 mu M against influenza H1N1 subtype. Among the selected compounds, D18 and D41 turned out to be the most potent inhibitors against influenza virus H3N2 subtype (IC50 = 15.00 mu M and IC50 = 14.97 mu M, respectively). D25 was the most potent compound against influenza B subtype (IC50 = 16.09 mu M). In addition, D41 showed low toxicity and greater potency than reference compounds Oseltamivir and Amantadine against N1-H275Y variant in cellular assays. The structure-activity relationship (SAR) analysis showed that introducing 4-CO2H, 4-OH, 3-OCH3-4-OH substituted benzyl methylene can greatly improve the activity of 4-thiazolinones. Further SAR analysis indicated that 4-thiazolinone and ferulic acid fragments are necessary fragments of target compounds for inhibiting NA. Molecular docking was performed to study the interaction between compound D41 and the active site of NA. This study may providing important information for new drug development for anti-influenza virus including mutant influenza virus. (C) 2021 Elsevier Masson SAS. All rights reserved.

Four novel 2-methoxyimino phenylacetate derivatives containing 1,3,4-oxadiazole ring were designed and synthesized from the key intermediate of Trifloxystrobin or Azoxystrobin via intermediate derivatization and active structure splicing. The chemical structures of the target compounds were confirmed by H-1 NMR, C-13 NMR and elemental analysis. The crystal structure of methyl (E)-2-(methoxyimino)-2-(2-(((54(4-methoxyphenoxy)methyl)1,3,4-oxadiazol-2-yl)thio)methypphenyl)acetate (A1) was determined by single-crystal X-ray diffraction. Compound A1 belongs to triclinic system, space group P-1(-) with two molecules in each unit cell. The benzene ring plane C(2)-C(3)-C(4)-C(5)-C(6)-C(7) and oxazole ring plane are nearly parallel with the dihedral angle of 6.4 degrees. The benzene ring plane C(12)-C(13)-C(14)-C(15)-C(16)-C(17) and oxazole ring plane are not perpendicular with the dihedral angle of 49.4 degrees. The crystal of compound A1 is stabilized by pi-pi stacking interactions. The fungicidal activities of the target compounds against four plant pathogenic fungi in vitro were tested, and some of them had good activities. The DFT calculation was carried out to study the structure-activity relationship of the title derivatives using Gasian 09 and Multiwfn 3.6.

A series of 1,2,4-triazole-3-sulfide derivatives were designed and synthesized. Their chemical structures were confirmed by H-1 NMR, C-13 NMR, MS and elemental analysis. The crystal structure of (E)-4-(4-hydroxy-3-methoxyphenylmethyleneamino)-5-ethyl-4H-1,2,4-triazole-3-propylsulfide (1c) was determined by X-ray diffraction analysis. The preliminary assay of neuraminidase (NA, H1N1) inhibitory activity in vitro showed that most of compound 1 has more potent NA inhibitory activity. Among them, compounds (E)-4-(4-hydroxy-3-methoxyphenyl-methyleneamino)-5-ethyl-4H-1,2,4-triazole-3-ethylsulfide (1b) and 1c showed the best inhibitory activity with IC50 values of (6.86 +/- 2.08) and (9.1 +/- 1.56) mu g/mL, respectively.

A series of novel 2-oxoquinoline derivatives containing arylaminothiazole were designed and synthesized as potential antitumor agents. The synthesized compounds were evaluated for their in vitro cytotoxicity activity against HeLa, NCI-H460, T24 and SKOV3 cancer cell lines using MTT assay. Among them, compound A7 exhibited the most potent activity against the test cancer cell lines, with the IC50 values ranged from 4.4 to 8.7 µM. The results of tubulin polymerization assay showed that compound A7 could inhibit tubulin polymerization in vitro. Meanwhile, molecular docking study revealed that A7 can bind to the colchicine site of tubulin and formed hydrogen bonds with key amino acid residues in the active site. Further mechanism study demonstrated that compound A7 blocked cell cycle arrest at G2/M phase, induced cell apoptosis and depolarized mitochondria of HeLa cells. Collectively, our findings suggest that A7 could serve as a promising lead for the development of more efficient microtubule polymerization inhibitors for cancer therapy.

Twenty-three novel 5-pyrazole carboxamides were prepared by condensing two kinds of 5-pyrazolecarboxylic acids with thiazolamides and benzofuranamines. The chemical structures were confirmed by nuclear magnetic resonance ( NMR) and mass spectrometry, etc. Quantum chemical calculations, frontier molecular orbitals and molecular van der Waals surface electrostatic potentials were analyzed for compounds B1 and B3. Biological activity screening test results showed that some compounds had excellent Insecticidal activity against Armyworm and Aphis fabae at 500 mg/L concentration, and the lethal rate of compound A1 and B1 against Armyworm was 100%, while compound B3, B4 and C9 showed excellent inhibitory activity towards Aphis fabae with the inhibition rate of 100%, 100% and 95. 54%, correspondingly. At a concentration of 25 mg/L, the growth inhibition rates of compound A3 against Alternaria ahernata, compound C7 against Gibberella zeae, compounds A1 and A4 against Sclerotonia sclerotiorum were over 50%.

Based on the intermediate derivatization method, the active fragment of oxime ether was introduced into 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one as a basic skeleton, and 32 novel compounds were designed and synthesized with the fragment of 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one. Their chemical structures were confirmed by nuclear magnetic resonance spectroscopy and mass spectrometry. Single crystal X-ray diffraction of compound 2n was carried out. The result showed that compound 2n belonged to the monoclinic system and space group of 2n was P2(1)/ c. The initial screening activity showed that the mortality rate of compound 1i and 1g against aphids and red spiders were 78. 57% and 69. 95% at the concentration of 200 mg/L, respectiviely, while the mortality rate of compound 1i were 100% and 85% against aphids at the concentration of 200 and 12. 5 mg/L, respectiviely. The results showed that compound 1i had the value of further development.

As a known natural product with anti-tumor activity, honokiol has been widely researched and structural modified. Lots of honokiol derivatives have been found to possess good anti-proliferative activity and showed great potential in cancer therapy, but the SAR (structure-activity relationship) was still confused. Here in, the SAR were comprehensively researched by summary of reported derivatives and synthesis of novel derivatives. Amongst novel derivatives, the promising compounds A6 and A10 exhibited potent and selective anti-proliferative activities against K562 cell line with the IC50 values of 5.04 and 7.08 μM respectively. The SAR was discussed around honokiol and 79 derivatives by the means of CoMFA and theoretical calculation, which provided useful suggestion for further structural optimization of honokiol derivatives.