Heteropolyacid@creatin-halloysite clay: an environmentally friendly,reusable and heterogeneous catalyst for the synthesis of benzopyranopyrimidines

Research on Chemical Intermediates - A novel hybrid catalyst has been designed and synthesized based on the incorporation of heteropolyacid into creatin-functionalized halloysite clay. The catalyst...     

Cyclodextrin nanosponges: a potential catalyst and catalyst support for synthesis of xanthenes

The nanoporous framework of a cyclodextrin nanosponge was used as catalyst for accelerating the one-pot, three-component reaction of dimedone, aldehyde, and phenols for synthesis of xanthene derivatives. Moreover, the nanocavities of cyclodextrin nanosponges were exploited for immobilization of heteropolyacids through the wet impregnation method. This catalyst exhibited superior catalytic performance compared to the bare cyclodextrin nanosponge. Despite the good catalytic activity, the leaching of the catalytic species did not allow efficient recovery and reusability. To circumvent this problem, the cyclodextrin nanosponge was amine-functionalized prior to heteropolyacid immobilization. The results proved that the amine functionalities had an effective role in preserving the catalytic species and improving the reusability through decreasing the leaching time. This catalyst was used for synthesis of a variety of xanthenes in aqueous media. The catalytic amount of catalyst afforded the desired product in excellent yields and with a relatively short reaction time. The results suggested cyclodextrin nanosponge-based catalysts as potential candidates for promoting chemical reactions.     

Rapid and efficient synthesis of 4(3H)-quinazolinones under ultra sonic irradiation using silica-supported Preyssler nano particles

A new synthesis of 4(3H)-quinazolinone from the reaction of 2-amino-benzamide, and acylchlorides in the presence of catalytic amounts of silica-supported Preyssler nano particles as green, reusable and efficient catalyst under ultra sonic irradiation is reported.     

Parameterized post-Newtonian approximation in a teleparallel model of dark energy with a boundary term

We study the parameterized post-Newtonian approximation in teleparallel model of gravity with a scalar field. The scalar field is non-minimally coupled to the scalar torsion as well as to the boundary term introduced in Bahamonde and Wright (Phys Rev D 92:084034 arXiv:1508.06580v4 [gr-qc], 2015). We show that, in contrast to the case where the scalar field is only coupled to the scalar torsion, the presence of the new coupling affects the parameterized post-Newtonian parameters. These parameters for different situations are obtained and discussed.     

New and General Nitrogen Heterocycle Synthesis: Use of Heteropoly Acids as a Heterogeneous Recyclable Catalyst

An efficient synthetic method of six- and five-member nitrogen heterocyclic compounds was developed. Nitrogen heterocyclic compounds were prepared by condensation of the β-dicarbonyl compounds with the corresponding β- or γ-amino alcohols, subsequent cyclization, and spontaneous aromatization in the presence of a catalytic amount of Keggin-type heteropoly acids under very mild conditions.     

One-Pot,Three-Component Synthesis of 4H-Pyrans Using Cu(II) Oxymetasilicate

4H-Pyrans are synthesized through one-pot, three-component reaction of benzaldehyde, malononitrile, and ethyl acetoacetate using Cu(II) oxymetasilicate as an efficient, reusable catalyst. The procedure offers advantages in terms of better yields, short reaction times, mild reaction conditions, and reusability of the catalyst.     

ZnO Nanoparticles: A Mild and Efficient Reusable Catalyst for the One-Pot Synthesis of 4-Amino-5-pyrimidinecarbonitriles Under Aqueous Conditions

An efficient method for the synthesis of 4-amino-5-pyrimidinecarbonitriles by three-component reaction of malononitrile, aldehydes, and N-unsubstituted amidines, under aqueous conditions, using ZnO nanoparticles as catalyst is reported. The catalyst exhibited remarkable activity and is recyclable.     

Computational Investigation of Solvent Effect on Stability,Electronic and Thermochemical Properties of Iron-Substituted Borirene and Boryl Isomers

This study investigates solvent effect on several electronic structure features, i.e. structural stability, orbital energies, HOMO-LUMO gaps and hardness of an iron aminoborirene complex [(η⁵-C₅H₅)(OC)₂Fe{μ- BN(SiH₃)₂C=C}Ph] (closed-isomer) and its isomer the boryl complex [(η⁵-C₅H₅)(OC)₂FeBN(SiH₃)₂C≡CPh] (open-isomer) through polarizable continuum model. Results revealed that the closed isomer is less stable than the open isomer, in solvent. Further, influence of the solvent on the frontier orbitals energies, HOMOLUMO gap, electrophilicity and chemical potential energies of the isomers was studied. Thermochemical analysis was conducted to study closed-open equilibrium and thermochemical parameters (ΔG and ΔH) were computed.     

Passive three-dimensional imaging using polarimetric diversity

The results of experiments in developing a method for extracting three-dimensional information from a scene by means of a polarimetric passive imaging sensor are summarized. This sensor provides a full Stokes vector at each sensor pixel location from which degree and angle of linear polarization are computed. The angle of linear polarization provides the azimuth angle of the surface normal vector. The depression angle of this surface normal vector is obtained in terms of the emitting object's index of refraction from the solution of an equation derived from Fresnel equations, Snell's law, and percent of linear polarization. Results of the application of this approach to simulated infrared polarimetric data are provided.     

Metal‐stabilized rare tautomers: N4 metalated cytosine (M = Li+, Na+, K+, Rb+ and Cs+), theoretical views

Ab initio calculations indicate that metalation of the exocyclic amino group of cytosine by the elements of Group IA (Li, Na, K, Rb and Cs) induces protonation of a nucleobase ring nitrogen atom, and hence causes a proton shift from an exocyclic to an endocyclic nitrogen atom. Thus, this metal‐assisted process leads to the generation of rare nucleobase tautomers. The calculations suggest that this kind of metalation increases the protonation energies of the aromatic ring of the nucleobase. The present study reports the quantum chemistry analysis of the metal‐assisted tautomerization. The calculations clearly demonstrate that metalation of the exocyclic amino group of the nucleobase significantly increases the protonation energy of the aromatic rings of the nucleobase. Also, absolute anisotropy shift, molecular orbital and natural bond orbital calculations are compatible with these results. Copyright © 2003 John Wiley & Sons, Ltd.