Decay of Solutions to a 2D Schroedinger Equation

Let u ∈ C（1R, H1） be the solution to the initial value problem for a 2D semilinear Schr6dinger equation with exponential type nonlinearity, given in [1]. We prove that the Lr norms of u decay as t→±∞, provided that r〉2.     

Dynamics of H and D abstraction in the reaction of Cl atom with butane-1,1,1,4,4,4-d6

We report the primary (D-atom) and secondary (H-atom) abstraction dynamics of chlorine atom reaction with butane-1,1,1,4,4,4-d(6). The H- and D-atom abstraction channels were studied over a range of collision energies: 10.4 kcal mol(-1) and 12.9 kcal mol(-1); 5.2 kcal mol(-1) to 12.8 kcal mol(-1), respectively, using crossed molecular beam dc slice ion imaging techniques. Single photon ionization at 157 nm was used to probe the butyl radical products resulting from the H- and D-atom abstraction reactions. These two channels manifest distinct dynamics principally in the translational energy distributions, while the angular distributions are remarkably similar. The reduced translational energy distribution for the primary abstraction showed marked variation with collision energy in the backward direction, while the secondary abstraction showed this variation in the forward direction.     

Synthesis of Potential Antiviral Agents for SARS-CoV-2 Using Molecular Hybridization Approach

We synthesized a set of small molecules using a molecular hybridization approach with good yields. The antiviral properties of the synthesized conjugates against the SAR-CoV-2 virus were investigated and their cytotoxicity was also determined. Among all the synthesized conjugates, compound 9f showed potential against SARS-CoV-2 and low cytotoxicity. The conjugates’ selectivity indexes (SIs) were determined to correlate the antiviral properties and cytotoxicity. The observed biological data were further validated using computational studies.     

Kinetic resolution of alpha-acetoxy N-acyl oxazolidinethiones by a chiral O-nucleophilic acyl transfer catalyst

The kinetic resolution of alpha-acetoxy N-acyl oxazolidinethiones using the chiral, nonracemic O-nucleophilic acyl transfer catalyst 8 is described. The reaction proceeds on a variety of substrates in excellent yields, with s-factors ranging from 17 to 31.     

Poly(vinyl alcohol)-Graft-Poly(ethylene glycol)-Supported Hydroxyproline Catalysis of Stereoselective Aldol Reactions

Summary: The good swelling and high loading of poly(vinyl alcohol)-graft-poly(ethylene glycol) (PVA-g-PEG) resins proved to be effective for performing supported proline-catalyzed aldol reactions stereoselectively in a wide range of polar non-protic, protic and non-polar solvents as well as in neat substrate. The catalysts could be recovered by filtration and recycled, without significant loss of activity. The use of poly(vinyl alcohol)-graft-poly(ethylene glycol) matrix improved the solubility of the proline-derived catalysts and expanded the scope of permissible solvents for performing selective aldol chemistry.     

Existence of nonnegative solutions for parabolic problem on Dirichlet forms

In this work, we investigate perturbed parabolic problem on measure spaces. For strongly local Dirichlet form, we obtain some results on existence and uniqueness of nonnegative solution. We also presented some examples as an applications.     

Synthesis of Some New Thiazolo[3,2‐a]pyrimidine Derivatives and Their Applications as Disperse Dyes

A series of novel thiazolo[3,2‐a]pyrimidine derivatives were synthesized by using β‐ketoanilides 1a–c as starting materials and as key intermediates for preparation of new pyrimidinecompounds 3a–e and fused heterocyclic pyrimidine derivatives 5a–c . The new compounds were transformed to disperse dyes 6a,b and 7 . The chemical structures were elucidated by spectroscopic and elemental analyses and found to be in good agreement with the proposed structures. The versatility of compounds 6a,b and 7 for textile dyeing as disperse dyes was reported. The synthesized dyes were applied to polyester fabrics by using high temperature dyeing method at 120°C. The dye uptake expressed as color strength (k/s) of the dyed samples has been measured. Moreover, the color strength was examined in detail. In addition, the position of color in CIELAB coordinates (L*, a*, b*, h, and C*) was assessed. The color fastness of the dyed samples gave excellent results for washing and rubbing; however, the light fastness was moderate. Raman spectra of dyed samples unequivocally excluded ring dyeing and found to match with the proposed structures.     

Synthesis of nano-sized zeolite-Y functionalized with 5-amino-3-thiomethyl 1H-pyrazole-4-carbonitrile for effective Fe(III)-chelating strategy

Zeolite crystals having faujasite-type (FAU) topology in the nanometer range were first synthesized from amorphous rice husk ash at a low temperature of 363 K under autogenous pressure. Following this, surface functionalization of the produced zeolite with 5-amino-3-thiomethyl 1H-pyrazole-4-carbonitrile (pyrazole; Py) was carried out by two different methods, namely liquefied-period adsorption of Py (Py/Y_im) and a flexible ligand method (Py/Y_ss). The latter provides a larger amount of Py formed into as-made zeolite-Y. The sorption of Fe(III) onto Py/NaY afforded large meso–macroporosity introduced by the aggregation–assembly between Fe(III)Py complexes and NaY zeolite, which was typically evidenced for Fe(III)Py/Y_ss. The materials were characterized by XRD, FT-IR spectroscopy, thermal analysis (TGA) and porous structure by N₂ adsorption–desorption at 77 K. The XRD evaluation showed that the zeolite structure was managed right after adding Fe(III) to Py/Y, although a change in intensity of the zeolite reflections on complex formation was noticed. The FT-IR spectrum of Fe(III)Py/Y_ss exhibited two bands at 3594 and 3542 cm^?1 assigned to bridging hydroxyl groups associated with a Brönsted site, which did not exist in the spectra of Fe(III)Py/Y_im and Fe(III)-exchanged as-made NaY zeolite. This effect was ascribed to the induced greater electronegativity of the ligand towards Fe(III) species in dissociation of water molecules, producing acidic protons that are potential Brönsted acid sites. It was also evident that the Fe(III) adsorption capacity on Py/Y_ss is greater than on as-made NaY zeolite and Py/Y_im, owing most likely to the increasing concentration of the incorporating Py ligand which leads to an increase in the number of binding sites. The Fe(III) adsorption onto Py/Y_ss was well described by the pseudo-second-order kinetic model. Density functional theory (B3LYP/6-311G*) was performed to understanding the interaction mode of the ligand and complex with zeolite. The QSPR was calculated depending on the optimization geometries, frontier molecular orbitals, thermodynamic parameters, and global chemical reactivates, which were discussed for the studied compounds. The HOMOs, LUMOs and molecular electrostatic potentials were plotted to elucidate the interaction manner of the tested compounds with the zeolite. The nonlinear optical properties were elucidated via 1st and 2nd hyper-polarizabilities. The auto-degradation behavior was predicted for the complex, based on the ionization optional and bond dissociation enthalpy. The interactions between P_y and Fe(III)P_y with the zeolite surface have been described with molecular dynamics using a Monte Carlo simulation.