One-Pot Sequential Approach for the Construction of Highly Functionalized Triazolo[4,3-c]pyrimidine Library

Novel [1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamides were synthesized via oxidative cyclization of hydrazono-1,6-dihydropyrimidine-5-carboxamide intermediates by the application of iodobenzenediacetate as a sole cyclizing agent. Here, we report a one-pot sequential strategy to generate the corresponding triazolopyrimidines by condensation of preprepared α-acylketene dithioacetals and arylamidines. Moreover, this process describes the application of presynthesized arylamidines, which omits the Suzuki–Miyaura cross-coupling reaction and hence provides metal-free organic synthesis in an atom- and step-economical fashion.     

Measuring localization-delocalization phenomena in a quantum corral

The standard deviations and Shannon information entropies of the probability densities for a particle in a quantum corral are compared and contrasted to determine their effectiveness in measuring particle (de)localization. We illustrate how the two measures emphasize different aspects of the underlying distributions which can lead to inconsistent interpretations. Among these, we show that the Shannon entropy is able to distinguish between the presence of an attractive or repulsive effective potential in the radial Schrödinger equation while the standard deviation does not. The analysis of this radial model is then extended to momentum space where the dependence of the measures, entropic sum and uncertainty product on the effective potential, is examined.     

Factors affecting the morphology of benzoyl peroxide microsponges

Benzoyl peroxide (BPO) is primarily used in the treatment of mild to moderate acne. However, its application is associated with skin irritation. It has been shown that encapsulation and controlled release of BPO could reduce the side effect while also reducing percutaneous absorption when administered to the skin. The aim of the present investigation was to design and formulate an appropriate encapsulated form of BPO, using microsponge technology, and explore the parameters affecting the morphology and other characteristics of the resultant products employing scanning electron microscopy (SEM). Benzoyl peroxide particles were prepared using an emulsion solvent diffusion method by adding an organic internal phase containing benzoyl peroxide, ethyl cellulose and dichloromethane into a stirred aqueous phase containing polyvinyl alcohol (PVA). Different concentrations of BPO microsponges were incorporated in lotion formulations and the drug release from these formulations were studied. The SEM micrographs of the BPO microsponges enabled measurement of their size and showed that they were spherical and porous. Results showed that the morphology and particle size of microsponges were affected by drug:polymer ratio, stirring rate and the amount of emulsifier used. The results obtained also showed that an increase in the ratio of drug:polymer resulted in a reduction in the release rate of BPO from the microsponges. The release data showed that the highest and the lowest release rates were obtained from lotions containing plain BPO particles and BPO microsponges with the drug:polymer ratio of 13:1, respectively. The kinetics of release study showed that the release data followed Peppas model and the main mechanism of drug release from BPO microsponges was diffusion.     

Synthesis and biological evaluation of novel 4-(6-substituted quinolin-4-yl)-N-aryl thiazol-2-amine derivatives as potential antimicrobial agents

Cyclocondensation reaction of 4-(2-bromoacetyl)quinolin-1-ium bromide ( 4a–d ) with substituted arylthiourea, ( 5a–g ) afforded 4-(6-substituted quinolin-4-yl)-N-aryl/pyridyl thiazol-2-amine ( 6a-ab ). These newly synthesized derivatives were evaluated for in vitro antibacterial activity against Escherichia coli (NCIM 2574), Proteus mirabilis (NCIM 2388) (Gram-negative strains), Bacillus subtilis (NCIM 2063), Staphylococcus albus (NCIM 2178) (Gram-positive strains) and in vitro antifungal activity against Aspergillus niger (ATCC 504) and Candida albicans (NCIM 3100). Compounds 6a , 6b , 6d , 6f , 6k , and 6l showed moderate to good antibacterial activity against S. albus. Ten derivatives 6c , 6q , 6r , 6s , 6t , 6v , 6w , 6x , 6y , and 6aa , showed moderate to good activity against A. niger. N-[4-(Quinolin-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine presented comparable activity against A. niger with respect to standard drug Rouconazole.     

Operational risk: Emerging markets,sectors and measurement

The role of decision support systems in mitigating operational risks in firms is well established. However, there is a lack of investment in decision support systems in emerging markets, even though inadequate operational risk management is a key cause of discouraging external investment. This has also been exacerbated by insufficient understanding of operational risk in emerging markets, which can be attributed to past operational risk measurement techniques, limited studies on emerging markets and inadequate data.     

Studies on morphology of polyaniline films formed at liquid–liquid and solid–liquid interfaces at 25 and 5 °C,respectively, and effect of doping

It is well accepted that the morphology of the nanomaterials has great effect on the properties and hence their applications. Therefore, morphology of materials has become a focus of research in the scientific world. The present study shows that interfacial polymerization and subsequent self-assembly provides a control over the morphology, nanorod/nanosheet, of polyaniline (PANI) films synthesized by liquid–liquid interface reaction technique and solid–liquid interface reaction technique. The synthesized PANI films and its particulate structure are characterized by using various spectroscopic techniques such as UV–visible, ATR-IR, Raman and XPS. The study confirmed the formation, the structure, the size and shape of particles and morphology of PANI by using analytical techniques namely, SAED, SEM and TEM. An important observation is that doping with HCl significantly improves the nanorod formation at the interface. The doped PANI electrode exhibits a higher area with rectangular shape in CV cycle and better cycle stability when compared with the performance of undoped PANI films. We believe that the results of these studies can give valuable leads to manoeuvre formation of PANI films with desired morphology for various applications.

Ultrasonic accelerated efficient synthesis of aminobenzochromenes using Ag2Cr2O7 nanoparticles as a reusable heterogeneous catalyst

Ag₂Cr₂O₇ nanoparticles were found to be an exceedingly effective catalyst for the mild and green synthesis of aminobenzochromenes. The reaction was performed under ultrasonic irradiation as an innocuous tool and in water as a green solvent at room temperature. This method encompasses several sustainable and economic benefits.     

Acetic acid catalysed solvent-free synthesis of spiro-isoxazolo[5,4-b]pyridines/quinolines by mechano-chemical grinding

A simple and efficient three-component procedure has been developed for the synthesis of a series of spiro-isoxazolo[5,4-b]pyridines/quinolines by one-pot condensation of isatins, 3-methylisoxazol-5-amine and enolizable cyclic carbonyl compounds. The protocol has been accomplished under solvent-free conditions by grinding the components at room temperature in presence of catalytic CH₃COOH. The described process offers environmentally benign reaction conditions for the synthesis of pharmacologically important spirooxindole fused heterocycles with the advantages ofoperational simplicity, short reaction time and good to excellent yields of isolated pure product.     

Solid State S-Methylation of Thiols and O-Methylation of Phenols and Naphthols with Dimethyl Sulfate Under Microwave Irradiation

Abstract

Mild and efficient S-methylation of thiols and o-methylation of phenols and naphthols occurs with dimethyl sulfate (DMS) supported on basic alumina under microwave irradiation in solventless system.     

Selenadiazolopyridine: a synthon for supramolecular assembly and complexes with metallophilic interactions

The synthesis and characterization of the complexes of Cu(I), Ag(I), Cu(II), and Co(II) ions with 1,2,5-selenadiazolopyridine (psd) is reported. The following complexes have been prepared: [Cu(2)(psd)(3)(CH(3)CN)(2)](2+)2(PF(6)(-)); [(CuCl)(2)(psd)(3)]; [Cu(2)(psd)(6)](2+)2(ClO(4))(-); [Ag(2)(psd)(2)](2+)2(NO(3))(-); [Ag(2)(psd)(2)](2+)2(CF(3)COO)(-); [Cu(psd)(2)(H(2)O)(3)](2+)2(ClO(4))(-)·(psd)(2); [Cu(psd)(4)(H(2)O)](2+)2(ClO(4))(-)·(CHCl(3)); [Cu(psd)(2)(H(2)O)(3)](2+)2(NO(3))(-)·(H(2)O)·(psd)(2), and [Co(psd)(2)(H(2)O)(4)](2+)2(ClO(4))(-)·(psd)(2). The electronic structure of ligand psd, in particular the bond order of Se-N bonds, has been probed by X-ray diffraction, (77)Se NMR, and computational studies. A detailed analysis of the crystal structures of the ligand and the complexes revealed interesting supramolecular assembly. The assembly was further facilitated by the presence of neutral ligands for some complexes (Cu(II) and Co(II)). The molecular structure of the ligand showed that it was present as a dimer in the solid state where the monomers were linked by strong secondary bonding Se···N interactions. The crystal structures of Cu(I) and Ag(I) complexes revealed the dinuclear nature with characteristic metallophilic interactions [M···M] (M = Cu, Ag), while the Cu(II) and Co(II) complexes were mononuclear. The presence of M···M interactions has been further probed by Atoms in Molecules (AIM) calculations. The paramagnetic Cu(II) and Co(II) complexes have been characterized by UV-vis, ESI spectroscopy, and room temperature magnetic measurements.