The effect of the chemical composition and the volume of coated carbonate calcium on epoxy paint properties

Russian Journal of Applied Chemistry - Titanium dioxide (TiO2) is widely used in the paint industry as a white pigment. To reduce the high cost of TiO2, mineral fillers such as different calcites...     

Synthesis and In Vitro Cytotoxic Activity of Novel Triazole‐Isoxazole Derivatives

New derivatives of triazole‐isoxazole were synthesized through a four‐step reaction starting from various ethyl 4‐aryl‐2,4‐dioxobutanoate derivatives. Finally, all compounds were examined by MTT assays for cytotoxic activity in two human breast cancer cell lines (MCF‐7 and T‐47D).     

Catalyst-free one-pot synthesis of 1,4,5-trisubstituted pyrazoles in 2,2,2-trifluoroethanol

A simple, efficient and three component one-pot synthesis of 1,4,5-trisubstituted pyrazoles by condensation of β-dicarbonyls, N,N-dimethylformamide dimethyl acetal (DMFDMA) and hydrazine derivatives in 2,2,2-trifluoroethanol without using any catalyst and activation, is described.     

An Evolutionary Approach to Optimizing Teleportation Cost in Distributed Quantum Computation

International Journal of Theoretical Physics - Distributed quantum computing has been well-known for many years as a system composed of a number of small-capacity quantum circuits. Limitations in...     

Liquid chromatographic determination of trace levels of nitrophenols in water samples after dispersive magnetic solid phase extraction

An efficient and fast dispersive magnetic solid phase extraction method was developed using MIL‐101(Cr)/poly (mercaptobenzothiazole)@magnetite nanoparticles for the preconcentration and determination of nitrophenols in river and rain water samples. High‐performance liquid chromatography‐Ultraviolet instrument was applied for the analysis of target nitrophenols. The effect of several variables on the extraction performance was explored via design of experiment approach. Limits of detection and linear dynamic ranges were attained in the range of 0.05–0.10 µg/L and 0.2–250 µg/L, respectively. The enrichment factors were in the range of 317–363. The precision (n = 3) of dispersive magnetic solid phase extraction method was in the range of 5.3–6.8%. Eventually, the method was utilized for the analysis of target nitrophenols in river and rain water samples.     

DFT Study of PH3 Physisorption and Chemisorptions on Boron Nitride Nanotubes

The adsorption of PH₃ molecules on the NiB,N-doped(4,4) and (5,5) BNNT_S surfaces has been investigated using density functional theory (DFT). The adsorption energies, geometric and electronic structures of the adsorbed systems were studied to judge the possible application of NiB,N-doped BNNT_S in PH₃ monitoring systems. Our calculated results showed that NiB,N-doped BNNT_S had much higher adsorption energy and shorter binding distances than pure BNNT_S owning to chemisorptions of the PH₃ molecule. The obtained density of states (DOS) and frontier orbitals demonstrated that the orbital hybridization was obvious between the PH₃ molecule and Ni_B,N-doped BNNT_S. However, due to weak physisorption according to the total electron density maps, there was no evidence for hybridization between PH₃ molecule and pure BNNTS. It was shown that after doping of Ni atom, the primary symmetry of BNNT_S decreased which enhanced the chemical activity of BNNT_S towards PH₃ molecules. According to the obtained results, we highlight the high potential application of Ni_B,N-doped BNNT_S in the design and fabrication of PH₃ sensing devices.

     

Chemically modified multiwalled carbon nanotubes as efficient and selective sorbent for separation and preconcentration of trace amount of Co(II), Cd(II), Pb(II), and Pd(II)

Multi-walled carbon nanotubes (MWCNTs) were chemically functionalized by glutaric dihydrazide (GDH) and characterized with FT-IR technique. This new sorbent was used for enrichment and preconcentration of Co(II), Cd(II), Pb(II), and Pd(II) ions. The adsorption was achieved quantitatively on MWCNTs at pH 4.0, and then the retained metal ions on the adsorbent were eluted with 1.5 mol L^?1 HNO₃. The effects of analytical parameters including pH of the solution, eluent type, sample volume, and matrix ions were investigated for optimization of the presented procedure. The adsorption capacity of the adsorbent at optimum conditions was found to be 33.6, 29.2, 22.1, and 36.0 mg g^?1 for Co(II), Cd(II), Pb(II), and Pd(II), respectively. The LOD values of the method were 0.16, 0.19, 0.17, and 0.12 ng mL^?1 (3Sb, n = 10) for Co(II), Cd(II), Pb(II), and Pd(II), respectively. The RSDs values of the method were 0.75, 0.85, 1.16, and 1.30 ng mL^?1 for Co(II), Cd(II), Pb(II), and Pd(II), respectively. The method was applied for the determination of analytes in soil, well water, and wastewater samples with satisfactory results.     

Immobilized Vanadium Histidine and Tryptophan Schiff Base Complexes on Modified Magnetite Nanoparticles as Epoxidation Catalyst

In this study, magnetically recoverable vanadium complexs designated as VO(Sal-Tryp)/AmpSCMNPs and VO(Sal-His)/AmpSCMNPs were prepared through immobilization of Schiff bases of histidine or tryptophan with salicylaldehyde on the surface of modified silica coated iron oxide magnetite nanoparticles with (3-aminopropyl) trimethoxysilane as aminopropyl (Amp) spacer followed by complexation with VOSO₄. Characterization was carried out by chemical analysis, Fourier transform infrared spectroscopy, XRD, scanning electron microscopy and vibrating sample magnetometry techniques. VO(Sal-Tryp)/AmpSCMNPs and VO(Sal-His)/AmpSCMNP were found to catalyze the epoxidation of allyl alcohols and olefins with tert-butyl hydroperoxide with excellent conversions and selectivities. Investigation of the stability and reusability revealed the heterogeneity character of the catalyst with no desorption during the course of epoxidation reactions. High yields, clean reactions, easily catalyst separation and recyclability of the solid catalyst are some advantages of this method.     

Structural and electronic properties of adsorbed nucleobases on Si-doped hexagonal boron nitride nanoflake: a computational study

Structural Chemistry - Effect of doping on surface reactivity and molecular adsorption mechanism is a key feature for many applications, including molecular sensing, molecular recognition, and...