New chalcones containing carbazole and 3,4-ethylenedioxythiophene fragments

Russian Journal of Organic Chemistry - Acylation of 9-(2-ethylhexyl)carbazole with acetyl bromide in the presence of tin(IV) chloride gave 3-acetyl- and 3,6-diacetyl-9-(2-ethylhexyl)carbazoles...     

Halocyclization of 2-allyl(propargyl)sulfanyl-6-aminopyrimidin-4(3H)-ones

Russian Journal of Organic Chemistry - The alkylation of 6-amino-2-thiouracil with allyl, methallyl, and propargyl halides in the presence of bases gave 2-[allyl(methallyl,...     

Dynamic structure of organic compounds in solution according to NMR data and quantum chemical calculations: II. Styrene

The dynamic structure of styrene has been studied with the goal of obtaining detailed information on the internal rotation parameters. A potential energy surface has been constructed for the rotation of the vinyl group about the single bond in terms of the second-order Møller–Plesset perturbation theory with aug-cc-pvtz basis functions, and conformational dependences of ⁿ J _HH have been calculated at the FPT DFT (B3LYP) level of theory with basis functions of the same type. The vibration-averaged coupling constants have been compared with the experimental values reliably determined in this work. A high efficiency of the proposed dynamic model for structural studies of organic molecules with ultrafast internal rotation dynamics has been demonstrated.     

New eco-friendly low-cost binders for Li-ion anodes

In the production of commercial Li-ion batteries, the active materials slurries are generally prepared using polyvinylidene fluoride (PVdF) as binder because of its good adhesion properties and electrochemical stability. Unfortunately, there are some disadvantages related to the use of PVdF: the most important is the use of toxic and environmentally unfriendly solvents, such as N-methyl-pyrrolidone (NMP), and the second is the high costs. In the light of these considerations, it seemed straightforward to investigate the suitability of some water-soluble, inexpensive, and eco-friendly materials to test as alternative binders (sodium alginate, chitosan tragacanth gum, gelatin). The rheological properties of these materials have been investigated in addition to the electrochemical characterization. Furthermore, graphite electrodes with PVdF, carboxymethyl cellulose (CMC), and styrene-butadiene rubber (SBR) binders have been considered for sake of comparison. We found that some of these water-soluble binders, besides good electrochemical performances, showed a high adhesion to the current collector and a good electrochemical stability under the experimental conditions employed, which makes them interesting for the next generation of Li-ion batteries.     

α-Fe<Subscript>2</Subscript>O<Subscript>3</Subscript> thin films by liquid phase deposition: low-cost option for supercapacitor

In the present study, iron oxide (α-Fe₂O₃) thin films with good adhesion on stainless steel substrates are deposited by liquid phase deposition (LPD) technique, which is additive and binder-free. Iron oxyhydroxide (FeOOH) thin films are formed by means of a ligand-exchange equilibrium reaction of metal-fluoro complex ions and an F^?ions consuming reaction by using boric acid (H₃BO₃) as a scavenging agent. These films are annealed at 500 °C to get α-Fe₂O₃ thin films. The transformation from hydrophobic to hydrophilic nature of the films is observed due to annealing. The films are characterized by different techniques. The α-Fe₂O₃ film is checked for electrochemical supercapacitive performance in Na₂SO₃ solutions of various concentrations. Specific capacitance is calculated from cyclic voltammetry at numerous scan rates (5–200) mV s^?1. The highest obtained value of specific capacitance is 582 F g^?1 at 5 mV s^?1 for 0.5 M Na₂SO₃ electrolyte. The maximum values of specific power and specific energy are 6.9 and 53.4 Wh kg^?1 from the charge-discharge curve at the current density 2 mA cm^?2 in 0.5 M Na₂SO₃ electrolyte.     

Evaluation of the biosafety of cyanoacrylate adhesive in vitro

This paper considers the evaluation of the biosafety of cyanoacrylate adhesive in vitro on human multipotent mesenchymal stem cells. This adhesive is intended for medical use, in particular, for X-ray and endovascular interventions. A toxicity study was carried out in a culture of multipotent mesenchymal stem cells isolated from human subcutaneous fat. As a result of the work, the concentration of cyanoacrylate adhesive in lipiodol was chosen, which has the lowest toxicity.     

A strengthening of a theorem of Bourgain and Kontorovich. V

It is proved that the denominators of finite continued fractions all of whose partial quotients belong to an arbitrary finite alphabet A with parameter δ > 0.7807... (i.e., such that the set of infinite continued fractions with partial quotients from this alphabet is of Hausdorff dimension δ with δ > 0.7807... ) contain a positive proportion of positive integers. Earlier, a similar theorem has been obtained only for alphabets with somewhat greater values of δ. Namely, the first result of this kind for an arbitrary finite alphabet with δ > 0.9839... is due to Bourgain and Kontorovich (2011). Then, in 2013, D.A. Frolenkov and the present author proved such a theorem for an arbitrary finite alphabet with δ > 0.8333.... The preceding result of 2015 of the present author concerned an arbitrary finite alphabet with δ > 0.7862....     

Estimates of Wiman–Valiron type for evolution equations

We establish estimates of Wiman–Valiron type for solutions of evolution equations with a pseudodifferential operator of the Hörmander class in a Hilbert space. Estimates of this type characterize the behavior of the solution of the problem as t→∞ or t → 0 depending on the decay or growth rate of the Fourier coefficients of the initial data.     

Non-accretive Schrödinger operators and exponential decay of their eigenfunctions

We consider non-self-adjoint electromagnetic Schrödinger operators on arbitrary open sets with complex scalar potentials whose real part is not necessarily bounded from below. Under a suitable sufficient condition on the electromagnetic potential, we introduce a Dirichlet realisation as a closed densely defined operator with non-empty resolvent set and show that the eigenfunctions corresponding to discrete eigenvalues satisfy an Agmon-type exponential decay.     

Generalized Kondo lattice model and its spin-polaron realization by the projection method for cuprates

The spin–fermion model, which is an effective low-energy realization of the three-band Emery model after passing to the Wannier representation for the p_x and p_y orbitals of the subsystem of oxygen ions, reduces to the generalized Kondo lattice model. A specific feature of this model is the existence of spin-correlated hoppings of the current carriers between distant cells. Numerical calculations of the spectrum of spin-electron excitations highlight the important role of the long-range spin-correlated hoppings.