Spencerreyes6141

A novel formal [3+2] and [4+2] annulation of ketoxime acetates and ynals for the synthesis of pyrroles and isoquinolines has been developed. By simply switching the catalyst and solvent, the reaction proceeds via two pathways. The reactions are achieved under mild conditions with broad substrate scope and excellent regioselectivity.Zinc(II) complexes of tetraphenylazadipyrromethenes are potential non-planar n-type conjugated materials. To tune the properties, we installed 5-quinolylethynyl groups at the pyrrolic positions. Compared to the complex with 1-napthylethynyl, we found evidence for stronger intermolecular interactions in the new complex, including much higher overlap integrals in crystals. X-ray analysis revealed unconventional C-H···N hydrogen bonding between two quinolyls of neighboring molecules, pointing to a new strategy for the development of non-planar molecular semiconductors with stronger intermolecular interactions.Supramolecular systems (macromolecules), such as calix[n]arenes (SCn), cyclodextrins (CDs), and cucurbiturils (CBs), are promising vehicles for anticancer drugs. In this work, guest-host complexes of carboplatin, a second-generation platinum-based anticancer drug, and p-4-sulfocalix[n]arenes (n = 4 and 6; PS4 and PS6, respectively) were prepared and studied using 1H NMR, UV, Job's plot analysis, HPLC, and density-functional theory calculations. The experimental and the computational studies suggest the formation of 11 complexes between carboplatin and each of PS4 and PS6. The stability constants of the formed complexes were estimated to be 5.3 × 104 M-1 and 9.8 × 104 M-1, which correspond to free energy of complexation of -6.40 and -6.81 kcal mol-1, in the case of PS4 and PS6, respectively. The interaction free energy depends on the different inclusion modes of carboplatin in the host cavities. UV-vis findings and atoms in molecules analysis showed that hydrogen bond interactions stabilize the host-guest complexes without the full inclusion in the host cavity. The in vitro anticancer study revealed that both complexes exhibited stronger anticancer activities against breast adenocarcinoma cells (MCF-7) and lung cancer cells (A-549) compared to free carboplatin, preluding to their potential use in cancer therapy.In this study, an in-house constructed paper-based spectrophotometer is presented and demonstrated for detecting three organic dyes, namely, methylene blue, malachite green, and rhodamine B, and monitoring the efficiency of their removal from a wastewater sample with Sistan sand as a costless adsorbent. The compact design and light weight of this simple spectrophotometer delivered portability, with materials costing less than a dollar. Spectral analysis of the captured images was performed using free downloadable software from the Google Play store. The main experimental parameters affecting the efficiency of dye adsorption including pH, sorbent dosage, initial dye concentration, and contact time were investigated and optimized using the Taguchi design experimental method. Validation experiments were performed using a standard commercial bench-top spectrophotometer, and results were compared in terms of analytical performance, speed, and cost of analysis. The smartphone-based spectrometer was able to measure accurately, as confirmed using the commercial spectrometer, with enhanced sensitivity for methylene blue and rhodamine B. The combination of the high spectral accuracy of the paper-based spectrophotometer, together with sand as a readily accessible sorbent, enabled us to develop a powerful yet simple approach and tool for the removal and monitoring of dyes within wastewater samples, which is potentially available to everybody who owns a smartphone.The [6π + 2π] cycloaddition of 2-tropylcyclohexanone to allenes and alkynes was accomplished for the first time using the three-component catalytic system Co(acac)2(dppe)/Zn/ZnI2, thus giving previously unknown functionally substituted bicyclo[4.2.1]nona-2,4-dienes and bicyclo[4.2.1]nona-2,4,7-trienes in high yields (70-89%). The structures of the synthesized carbocycles were reliably proved using modern spectral methods and X-ray diffraction. selleck chemicals llc The in vitro cytotoxic activity of the obtained bicyclo[4.2.1]nona-2,4-dienes and bicyclo[4.2.1]nona-2,4,7-trienes against the Jurkat, K562, and U937 tumor cell lines has been studied.The sulfur(VI) fluoride exchange (SuFEx) reaction is an emerging scheme for connecting molecular building blocks. Due to its broad functional group tolerance and rather stable resulting linkage, it is seeing rapid adoption in various fields of chemistry. Still, to date the reaction mechanism is poorly understood, which hampers further development. Here, we show that the mechanism of the SuFEx reaction for the prototypical example of methanesulfonyl fluoride reacting with methylamine can be understood as an SN2-type reaction. By analyzing the reaction path with the help of density functional theory in vacuo and under consideration of solvent and co-reactant influence, we identify the often used complementary base as a crucial ingredient to lower the reaction barrier significantly by increasing the nucleophilicity of the primary amine. With the help of energy decomposition analysis at the transition state structures, we quantify the underlying stereoelectronic effects and propose new avenues for experimental exploration of the potential of SuFEx chemistry.A series of Ni2P/Al2O3 catalysts with different Ni2P loadings were synthesized via thermal decomposition of hypophosphite and employed for naphthalene hydrogenation saturation. Results showed that Ni2P loading greatly affected Ni2P particle size and the number of active sites of the as-synthesized catalysts, which was derived from the variable interaction between POx and Al2O3. When the hydrogenation saturation reaction was performed at 300 °C, 4 MPa, a H2/oil volume ratio of 600, and a liquid hourly space velocity (LHSV) of 3 h-1, 98% naphthalene conversion and 98% selectivity to decalin were achieved over Ni2P/Al2O3 catalysts with 10 wt % Ni2P. The superior naphthalene hydrogenation saturation performance was ascribed to the large specific surface area (169 m2·g-1), small Ni2P particle size (3.8 nm), and the high number of exposed active sites (CO sorption 30 μmol·g-1), which were beneficial to the adsorption and diffusion of the reactant molecules on the catalyst.