Synthesis,characterisation and photocatalytic activity of Ag<Superscript>+</Superscript>- and Sn<Superscript>2+</Superscript>-substituted KSbTeO<Subscript>6</Subscript>

Ag⁺- and Sn²⁺-substituted KSbTeO₆ were prepared by a facile ion-exchange method at ambient temperature. All the samples were characterised by scanning electron microscopy, energy-dispersive spectra, thermogravimetric analysis, powder X-ray diffraction, Raman spectra and UV-VIS diffuse reflectance spectra. Both Sn²⁺- and Ag⁺-substituted KSbTeO₆ were crystallised in a cubic lattice with the \(Fd\bar 3m\) space group. The band-gap energy of all the samples was deduced from their UV-VIS diffuse reflectance spectral profiles. The visible light-induced photocatalytic oxidation of the methylene blue (MB) dye was examined in the presence of all the as-prepared materials. The Ag⁺- and Sn²⁺-substituted KSbTeO₆ exhibited a higher photocatalytic activity than the parent KSbTeO₆ in degradation of the MB dye under visible light irradiation.     

Erdélyi-type integrals for generalized hypergeometric functions with integral parameter differences

In this paper, we extend one of Erdélyi's classical integrals for the Gauss hypergeometric functions to a special class of generalized hypergeometric functions in which certain pairs of numerator and denomiator parameters differ by positive integers. Our main results are achieved by applying the fractional integration by parts and series manipulation technique. Some special cases are also pointed out which includes a new extension of a Thomae-type transformation.     

N-heterocyclic carbene-catalyzed 1,3-dipolar cycloaddition reactions: a facile synthesis of 3,5-di- and 3,4,5-trisubstituted isoxazoles

A first example of organo-N-heterocyclic carbene (NHC) catalyzed click-type fast 1,3-dipolar cycloaddition of nitrile oxides with alkynes was developed for the regioselective synthesis of 3,5-di- and 3,4,5-trisubstituted isoxazoles. Triethylamine (Et(3)N) was employed as an effective base to generate both nitrile oxide and the organo-NHC catalyst in situ. This catalytic approach was used to attach a variety of substituents, including other biologically active fragments, onto the isoxazole ring to selectively design multinucleus structures. Further, we have also optimized the conditions for Cu(I)-free Sonogashira cross-coupling to obtain internal alkynes in high yields, which were subsequently used in cycloaddition. A catalytic cycle is proposed and the remarkable regiocontrol in the formation of isoxazoles was ascribed to a beneficial zwitterion intermediate developed by the interaction of the strongly nucleophilic organo-NHC catalyst with alkyne followed by nitrile oxide.     

Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and Born-Oppenheimer molecular dynamics simulation

The density functional theory (DFT)-based Becke's three parameter hybrid exchange functional and Lee-Yang-Parr correlation functional (B3LYP) calculations and Born-Oppenheimer molecular dynamics (BOMD) simulations have been performed to understand the stability of different anions inside fullerenes of various sizes. As expected, the stability of anion inside the fullerene depends on its size as well as on the size of the fullerene. Results show that the encapsulation of anions in larger fullerenes (smaller fullerene) is energetically favorable (not favorable). The minimum size of the fullerene required to encapsulate F(-) is equal to C(32). It is found from the results that C(60) can accommodate F(-), Cl(-), Br(-), OH(-), and CN(-). The electron density topology analysis using atoms in molecule (AIM) approach vividly delineates the interaction between fullerene and anion. Although F(-)@C(30) is energetically not favorable, the BOMD results reveal that the anion fluctuates around the center of the cage. The anion does not exhibit any tendency to escape from the cage.     

Bismuth triflate catalyzed conjugate addition of indoles to α,β-enones

Reaction of indoles with electron deficient olefins under the influence of bismuth triflate has been studied at ambient temperature and affords the corresponding 3-alkylated indoles in excellent yields.     

Facile One‐Pot Multicomponent Synthesis of β‐Acetamido Ketones with Amberlyst‐15 as Heterogeneous Catalyst

The one‐pot multicomponent coupling of an aromatic aldehyde, an enolizable ketone or keto ester, acetonitrile, and acetyl chloride at room temperature in the presence of Amberlyst‐15 as catalyst affords β‐acetamido ketones in high yields. The inexpensive catalyst works under heterogeneous conditions and can be readily reused.     

New quinoxaline-piperazine-oxazole conjugates: Synthesis,in vitro anticancer,in silico ADMET,and molecular docking studies

In this paper, we describe the synthesis of some new quinoxaline-piperazine-oxazole amide conjugates 6a-n from 3-chloroquinoxaline-2-carbonitrile using well-known reaction sequences. The synthesized compounds were characterized by ¹H NMR,¹³C NMR, and mass spectral analysis. The compounds were tested for their in vitro antiproliferative activity toward four different cancer cell lines such as PC-3, MCF-7, DU-145, and A-549 by MTT method. The compounds, 6c, 6h, 6i , and 6n were found to be more potent than the standard Erlotinib. In vitro tyrosine kinase EGFR inhibition studies using four potent compounds revealed that 6n has double inhibiting tendency with value IC₅₀ of 0.22 μM and 6h with value of IC₅₀ 0.27 μM compared to reference compound. Molecular docking studies of active compounds, 6c , 6h , 6i , and 6n on EGFR receptor suggested that all the compounds have more binding energies than that of Erlotinib. Furthermore, the in silico pharmacokinetic profile was accomplished for the active compounds, 6c , 6h , 6i , and 6n using SWISS/ADME and pk CSM, whereas compounds, 6h , 6i , and 6c followed Lipinski rule, Veber rule, Egan rule and Muegge rule. The remaining compound 6n did not follow Lipinski rule, Ghose rule because one common violation, that is, because of high molecular weight (MW > 350).     

Infinite Dimensional Bicomplex Spectral Decomposition Theorem

This paper presents a bicomplex version of the Spectral Decomposition Theorem on infinite dimensional bicomplex Hilbert spaces. In the process, the ideas of bounded linear operators, orthogonal complements and compact operators on bicomplex Hilbert spaces are introduced and treated in relation with the classical Hilbert space M′ imbedded in any bicomplex Hilbert space M.     

An efficient chemo‐ and stereoselective synthesis of enaminones and enaminoesters using (bromodimethyl)sulfonium bromide under solvent‐free conditions

(Bromodimethyl)sulfonium bromide has efficiently been employed for chemo‐ and stereoselective conversions of β‐dicarbonyl compounds into β‐enaminones and β‐enaminoesters by a treatment with amines at room temperature under solvent‐free conditions. © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:630–633, 2008; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20477     

Exergy and exergo-environmental analysis of a 660 MW supercritical coal-fired power plant

Journal of Thermal Analysis and Calorimetry - This paper presents the exergy and exergo-environmental analysis of the 660&nbsp;MW supercritical coal-fired unit situated in western India. The...