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Computational-experimental analysis has allowed determining that the stereochemistry of the Staudinger reaction between ketenes and imines is strongly associated with the nature of the imine, which affects the two steps of the reaction. The first step, namely the nucleophilic attack of the sp2-hybridized nitrogen atom of the imine on the sp-hybridized carbon atom of the ketene, is affected by the energetically accessible in situ isomerization patterns of the imine. The second step consists of a conrotatory electrocyclization of the zwitterionic intermediate formed in the previous step. This latter pericyclic step depends on the inward/outward torquoelectronic effects generated by the substituents of the imine. The impact of these factors on the stereochemistry of this reaction has been analyzed kinetically by numerical methods. The results of these simulations are compatible with the experimental results and support these conclusions.The removal of heavy metals is attracting considerable attention due to their undesirable effects on the environment. In this investigation, a new adsorbent based on silica functionalized with pyridin-2-ylmethanol (SiPy) was successfully synthesized to yield to a hybrid material. FTIR, SEM, TGA, and specific surface area analysis were used to characterize the structure and morphology of the SiPy hybrid material. Various heavy metal ions such as Cu(ii), Zn(ii), Cd(ii), and Pb(ii) were selected to examine the adsorption efficiency of the newly prepared adsorbent, optimized at varying solution pH, contact time, concentration, and temperature. The adsorbent SiPy displayed good adsorption capacity of 90.25, 75.38, 55.23, and 35.12 mg g-1 for Cu(ii), Zn(ii), Cd(ii), and Pb(ii), respectively, at 25 min and pH = 6. The adsorption behaviors of metal ions onto the SiPy adsorbent fitted well with the pseudo-second-order kinetic mode and the isotherm was better described by the Langmuir isotherm. The thermodynamic studies disclose spontaneous and endothermic adsorption process. Furthermore, the SiPy adsorbent retained good selectivity and regeneration properties after five adsorption-desorption cycles of Cu(ii). A computational investigation of the adsorption mechanism indicates that the N-pyridine, O-hydroxyl, and ether O-atoms play a predominant role during the capture of Cu(ii), Zn(ii), Cd(ii), and Pb(ii). This study proposes the SiPy adsorbent as an attractive material for the selective removal of Cu(ii) from real river water and real industrial wastewater.Although there have been many studies addressing the dendrite growth issue of lithium (Li)-metal batteries (LMBs), the Li-metal anode has not yet been implemented in today's rechargeable batteries. There is a need to accelerate the practical use of LMBs by considering their cost-effectiveness, ecofriendliness, and scalability. Herein, a cost-effective and uniform protection layer was developed by simple heat treatment of a Post-it note. The carbonized Post-it protection layer, which consisted of electrochemically active carbon fibers and electrochemically inert CaCO3 particles, significantly contributed to stable plating and stripping behaviors. The resulting protected Li anode exhibited excellent electrochemical performance extremely low polarization during cycling ( less then 40 mV at a current density of 1 mA cm-2) and long lifespan (5000 cycles at 10 mA cm-2) of the symmetric cell, as well as excellent rate performance at 2C (125 mA h g-1) and long cyclability (cycling retention of 62.6% after 200 cycles) of the LiFePO4‖Li full cell. The paper-derived Li protection layer offer a facile and scalable approach to enhance LMB electrochemical performance.In this study, a novel periodic mesoporous organosilica (PMO) containing diamide-diacid bridges was conveniently prepared using ethylenediaminetetraacetic dianhydride to support Cu(ii) species and affording supramolecular Cu@EDTAD-PMO nanoparticles efficiently. Fourier transform infrared (FT-IR) and energy dispersive X-ray (EDX) spectroscopy, thermogravimetric analysis (TGA), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Brunauer-Emmett-Teller (BET) analysis, and high-resolution transmission electron microscopy (HRTEM) results confirmed the successful synthesis of Cu@EDTAD-PMO. The stabilized Cu(ii) nanoparticles inside the mesochannels of the new PMO provided appropriate sites for selective oxidation of different benzyl alcohol derivatives to their corresponding benzaldehydes and subsequent Knoevenagel condensation with malononitrile. Therefore, Cu@EDTAD-PMO can be considered as a multifunctional heterogeneous catalyst, which is prepared easily through a green procedure and demonstrates appropriate stability with almost no leaching of the Cu(ii) nanoparticles into the reaction medium, and easy recovery through simple filtration. The recycled Cu@EDTAD-PMO was reused up to five times without significant loss of its catalytic activity. The stability, recoverability, and reusability of the designed heterogeneous catalyst were also studied under various reaction conditions.In this work, we perform atomic force microscopy (AFM) experiments to evaluate in situ the dependence of the structural morphology of trihexyltetradecylphosphonium bis(2-ethylhexyl) phosphate ([P6,6,6,14][DEHP]) ionic liquid (IL) on applied pressure. The experimental results obtained upon sliding a diamond-like-carbon-coated silicon AFM tip on mechanically polished steel at an applied pressure up to 5.5 ± 0.3 GPa indicate a structural transition of confined [P6,6,6,14][DEHP] molecules. This pressure-induced morphological change of [P6,6,6,14][DEHP] IL leads to the generation of a lubricious, solid-like interfacial layer, whose growth rate increases with applied pressure and temperature. The structural variation of [P6,6,6,14][DEHP] IL is proposed to derive from the well-ordered layering of the polar groups of ions separated by the apolar tails. These results not only shed new light on the structural organization of phosphonium-based ILs under elevated pressure, but also provide novel insights into the normal pressure-dependent lubrication mechanisms of ILs in general.Oxygen and nitrogen enriched micro-meso porous carbon powders have been prepared from pectin and melamine as oxygen and nitrogen containing organic precursors, respectively. The synthesis process has been performed following a solvothermal approach in an alkaline solution during which Pluronic F127 was added to the solution as the soft template. Following the solvothermal treatment, the carbonization process has been performed at 700, 850 and 950 °C. The synthesized porous carbons have been characterized by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), nitrogen adsorption-desorption isotherms and Fourier transform infrared spectroscopy (FTIR). The surface area of 499.5 m2 g-1, total pore volume of 0.35 cm3 g-1, and a high nitrogen and oxygen content of 9.3 and 29.1 wt% are displayed for the fine sample. The optimal porous carbon had CO2 adsorption of up to 3.1 mmol g-1 at 273 K at 1 bar owing to abundant basic nitrogen-containing functionalities and the valuable micro-meso porous structure. Despite the absence of any reagent and also having a relatively moderate specific surface area, compared to similar materials, a very high ratio of adsorption capacity to specific surface area (6.2 μmol m-2) was observed. The Elovich kinetic model was found to be the best and the physisorption process was reported.Resveratrol/tannic acid-poly(vinyl alcohol) (RETA-PVA) blends have been prepared by compression molding using poly(vinyl alcohol), tannic acid and resveratrol as raw materials. The effects of different resveratrol/tannic acid ratios on the flammability of RETA-PVA blends have been studied. The flammability of the RETA-PVA blends was assessed using cone calorimetry, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Results indicate that RETA-PVA molecules occur through hydrogen bonding and RETA-PVA blends are amorphous. The glass transition temperature for RETA-PVA-2 is the highest among all blends and the peak of heat release rate and smoke production rate for RETA-PVA is 38.4% and 43.9% lower than that for PVA, respectively. With the addition of resveratrol, the residual amount of RETA-PVA after complete combustion is greatly increased, to 30 times that for PVA, indicating that RETA-PVA blends display excellent flame retardant properties.Strand displacement technology and ribozyme digestion technology have enriched the intelligent toolbox of molecular computing and provided more methods for the construction of DNA logic circuits. In recent years, DNA logic circuits have developed rapidly, and their scalability and accuracy in molecular computing and information processing have been fully demonstrated. However, existing DNA logic circuits still have some problems such as high complexity of DNA strands (number of DNA strands) hindering the expansion of practical computing tasks. In view of the above problems, we presented a toehold preemption mechanism and applied it to construct DNA logic circuits using E6-type DNAzymes, such as half adder circuit, half subtractor circuit, and 4-bit square root logic circuit. Different from the dual-track logic expressions, all the signals in the circuits of this study were monorail which substantially reduced the number of DNA strands in the DNA logic circuits. The presented preemption mechanism provides a way to simplify the implementation of large and complex DNA integrated circuits.Since 1994, YC-1 (Lificiguat, 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole) has been synthesized, and many targets for special bioactivities have been explored, such as stimulation of platelet-soluble guanylate cyclase, indirect elevation of platelet cGMP levels, and inhibition of hypoxia-inducible factor-1 (HIF-1) and NF-κB. selleck inhibitor Recently, Riociguat®, the first soluble guanylate cyclase (sGC) stimulator drug used to treat pulmonary hypertension and pulmonary arterial hypertension, was derived from the YC-1 structure. In this review, we aim to highlight the synthesis and structure-activity relationships in the development of YC-1 analogs and their possible indications.Hydrogen-type mordenite (HMOR) modified with pyrazole hydrochloride (Pya·HCl) was prepared by the ion exchange method. The results showed that Pya·HCl introduction significantly improved the activity and stability of HMOR in the carbonylation reaction of dimethyl ether (DME) to methyl acetate (MA). Small pyrazole ions (HPya+) entered into the twelve-membered ring (12-MR) pores of HMOR and selectively replaced part of the Brønsted acid (BAS), thus suppressing the formation of carbon deposits. The modified HMOR presented a larger specific surface area and pore volume, which provided larger channels for molecular diffusion. Additionally, non-framework aluminum was removed by the acidic Pya·HCl solution, resulting in the formation of mesopores, which facilitated the migration of carbon-deposited species from the inside of the zeolite to the outside.
Here's my website: https://www.selleckchem.com/products/azd0364.html
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