Novel and efficient catalysts for the one-pot synthesis of 3,4-dihydropyrano[c]chromene derivatives in aqueous media

Diammonium hydrogen phosphate, (NH₄)₂HPO₄(DAHP), efficiently catalyzes the one-pot, three-component reaction of an aromatic aldehyde, malononitrile and 4-hydroxycoumarin in aqueous media under mild conditions at room temperature, to afford the corresponding dihydropyrano[c]chromenes in high yields. (S)-Proline has also been used as another neutral catalyst for this reaction at reflux.     

Dynamic conditional value-at-risk model for routing and scheduling of hazardous material transportation networks

This paper illustrates a dynamic model of conditional value-at-risk (CVaR) measure for risk assessment and mitigation of hazardous material transportation in supply chain networks. The well-established market risk measure, CVaR, which is commonly used by financial institutions for portfolio optimizations, is investigated. In contrast to previous works, we consider CVaR as the main objective in the optimization of hazardous material (hazmat) transportation network. In addition to CVaR minimization and route planning of a supply chain network, the time scheduling of hazmat shipments is imposed and considered in the present study. Pertaining to the general dynamic risk model, we analyzed several scenarios involving a variety of hazmats and time schedules with respect to optimal route selection and CVaR minimization. A solution algorithm is then proposed for solving the model, with verifications made using numerical examples and sensitivity analysis.     

Dynamics of a close-loop controlled MEMS resonator

The dynamics of a close-loop electrostatic MEMS resonator, proposed as a platform for ultra sensitive mass sensors, is investigated. The parameter space of the resonator actuation voltage is investigated to determine the optimal operating regions. Bifurcation diagrams of the resonator response are obtained at five different actuation voltage levels. The resonator exhibits bi-stability with two coexisting stable equilibrium points located inside a lower and an upper potential wells. Steady-state chaotic attractors develop inside each of the potential wells and around both wells. The optimal region in the parameter space for mass sensing purposes is determined. In that region, steady-state chaotic attractors develop and spend most of the time in the safe lower well while occasionally visiting the upper well. The robustness of the chaotic attractors in that region is demonstrated by studying their basins of attraction. Further, regions of large dynamic amplification are also identified in the parameter space. In these regions, the resonator can be used as an efficient long-stroke actuator.     

Employing of Fe3O4/CuO/ZnO@MWCNT MNCs in the solvent-free synthesis of new cyanopyrroloazepine derivatives and investigation of biological activity

Molecular Diversity - In this research, we synthesized the Fe3O4/CuO/ZnO@MWCNT magnetic nanocomposites using water extract of Petasites hybridus rhizome, and the high performance of synthesized...     

Synthesis of 2,3-diaryl-5H-imidazo[2,1-a]isoindol-5-ones via the one-pot reaction of 1,2-diketones, 2-formylbenzoic acids, and ammonium acetate

We describe a new one-pot synthesis of 2,3-diaryl-5H-imidazo[2,1-a]isoindol-5-ones via the reaction of 1,2-diketones, 2-formylbenzoic acids, and ammonium acetate in acetic acid under reflux conditions and in the absence of a catalyst.     

Preparation,Antibacterial Activity,and Catalytic Application of Magnetic Graphene Oxide-Fucoidan in the Synthesis of 1,4-Dihydropyridines and Polyhydroquinolines

Polymer-coated magnetic nanoparticles are emerging as a useful tool for a variety of applications, including catalysis. In the present study, fucoidan-coated magnetic graphene oxide was synthesized using a natural sulfated polysaccharide. The prepared BaFe₁₂O₁₉@GO@Fu (Fu=fucoidan, GO=graphene oxide) was characterized using Fourier-transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray (EDX) analysis, vibrating sample magnetometry (VSM), thermogravimetric analysis (TGA), Raman spectroscopy, and X-ray diffraction (XRD). The catalytic proficiency of BaFe₁₂O₁₉@GO@Fu was investigated in the synthesis of 1,4-dihydropyridine and polyhydroquinoline derivatives. Excellent turnover numbers (TON) and turnover frequencies (TOF) (6330 and 25320 h⁻¹) testify to the high efficiency of the catalyst. Moreover, the antimicrobial activity of BaFe₁₂O₁₉@GO@Fu was evaluated against Escherichia coli (E. coli), and Staphylococcus aureus (S. aureus) through the Agar well diffusion method, indicating that BaFe₁₂O₁₉@GO@Fu has antibacterial activity against S. aureus.     

Fe3O4 MNPs as a green catalyst for syntheses of functionalized [1,3]-oxazole and 1H-pyrrolo-[1,3]-oxazole derivatives and evaluation of their antioxidant activity

Molecular Diversity - In the present study, iron oxide magnetic nanoparticles (Fe3O4 MNPs) were synthesized in a green biosynthetic manner using aqueous extract of clover leaves. Fe3O4 MNPs were...     

An ab initio study of the proton affinities of some heteroatomic rings: Imidazole,oxazole, and thiazole

The proton affinities of imidazole, oxazole, and thiazole rings, relevant to the binding of lexitropsins that contain these rings to the minor groove of DNA, are calculated using ab initio (Hartree–Fock) calculations. It is found that the proton affinities decrease in the order imidazole, oxazole, thiazole and that a methyl group substituent increases the proton affinity of imidazole, while a peptidic group decreases it.