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Effecient green tools of β-(3,4-dichlorophenyl-acrylic acid, thioglycolic acid and β-(2-oxopyrrolidin-1-yl) ethanol under ultrasonic and microwave-assisted irradiation (MW-US) as found to be a simple approach for preparing interesting Spiro derivatives. A novel class Spiro-pyrrolidine-2,3'-thieno[2,3-d]pyridazine derivatives (2–6) were efficiently synthesized via one-pot multicomponent reactions. Ethoxy acetyl Spiro pyrrolidine-2,3'-thieno[2,3-d]pyridazin-hydrazide (5) assessed as ecofriendly microbicidal and insecticidal activities to establish a structure-activity relationship. Elemental analysis and spectroscopic data were used to describe the structures of all synthesized products. The Spiro-heterocyclic compounds are exclusive non-planar structures and branded for binding to biomolecules. The microbicidal and insecticidal activities of the compounds were investigated on ATCC coded test microorganisms upon the applied dose and time was studied through two kinetic study. The interaction with these antibacterial and insect's third instar larvae was medicinal and economically valuable. The preliminary testing demonstrated flourishing microbicidal capability to prevent the growth of threatening pathogenic bacteria as well as blossoming insecticidal efficacy. Moreover, Molecular docking and density functional theory simulations can be used to validate the experimental results. Also, we utilized the docking approach with secondary bacterial infection indicated that Ethoxy acetyl Spiro hydrazide (5) and Spiro arylidene hybrid (6) have exerted the strongest docking binding value against the active sites of 6LU7. [ABSTRACT FROM AUTHOR]

The present work described a novel synthesis of spiro[indoline-3,3′-pyrazol]-2-one derivatives 2, 4, 5, and 7 via a one-pot reaction of chalcones or β-aroyl acrylic acid 1a–c, isatin, and hydrazine derivatives e.g. hydrazine hydrate, methyl hydrazine, phenylhydrazine or acetohydrazide in sonicated reaction condition. The unexpected product 1,3-oxazino[3,2-a]indol-10-yl-ethanone derivative 6 can be generated instead of N-acetyl spiro[indoline-3,3′-pyrazol]-2-one as desired. Also, the Spiropyrazole-fused furanone and pyridazinone ring can be made. Owing to their unique 3-dimensional structures, spirooxindoles have been found as lucky chemotypes for antiviral drug enhancement in an attempt to achieve these spiropyrazole derivatives 2–10 with hydrophobic groups. Furthermore, the density functional theory (DFT) was used to elucidate the electronic and structural features of spiropyrazole derivatives and their reactive species, which supports the proposed mechanism of antibacterial and antiviral capabilities. [ABSTRACT FROM AUTHOR]

Synthesis of ethyl acetate (EA) using lipase as a catalyst, as an environmentally-friendly process, has attracted considerable attention. However, the slow rate of enzymatic reaction and higher cost limit its applications. Ultrasound irradiation (UI) is known as an effective tool for accelerating the rate of enzymatic reaction under mild conditions. To attain maximum yield, it is crucial to understand the effect of UI on EA synthesis and the underlying mechanism. Therefore, the present study investigated the effect of UI on lipase-catalyzed ethyl acetate synthesis. The results clearly demonstrated that UI could remarkably accelerate the process of lipase-catalyzed synthesis of ethyl acetate compared with mechanical shaking. The optimal conditions of ultrasound-assisted reaction by using Novozyme 435® were 6% enzyme loading, 4:1 molar ratio of ethanol to acetic acid, 150 W & 28 kHz ultrasonic power and frequency, respectively. Bi-bi ping-pong model was employed to give a deep insight into the underlying mechanism of the beneficial effect of UI. It was found that Vmax under UI was elevated by 143% compared with that under mechanical shaking. Application of UI could decrease Kacetic acid and Ki ethanol while increase Kethanol and Ki acetic acid. In conclusion, the present study addresses that UI could remarkably accelerate the process of lipase-catalyzed synthesis of EA compared with mechanical shaking, and kinetic model results explained why ultrasound can significantly speed up lipase catalyzed synthesis of ethyl acetate, which may help to improve the industrial application potential of ethyl acetate biosynthesis. [ABSTRACT FROM AUTHOR]