Classical‐Reaction‐Driven Stereo‐ and Regioselective C(sp3)–H Functionalization of Aliphatic Amines

A large variety of synthetic methods have been developed for the synthesis of functionalized aliphatic amines because of their broad spectrum of application. Metallic reagents/catalysts and/or toxic oxidants are involved in most of the cases. Direct C? H functionalization of aliphatic amines via their classical condensation reactions with suitable carbonyl compounds is advantageous because this method avoids hazardous metallic reagents, toxic oxidants and pre‐activation/pre‐functionalization step(s). In this account, the concept of direct C? H functionalization of aliphatic amines based on the classical condensation–isomerization–addition (CIA) strategy followed by recent contributions from our ongoing research in the field along with relevant examples from other groups are described. Successes in stereo‐ and regioselective C? C and C? O bond formation via direct α‐ as well as β‐C(sp³)–H functionalization are discussed.

     

Synthesis,characterization and antimicrobial activities of triorganotin(IV) complexes with azo-azomethine carboxylate ligands: crystal structure of a tributyltin(IV) and a trimethyltin(IV) complex

Triorganotin(IV) complexes with polyaromatic azo-azomethine carboxylate ligands viz. 2-{4-hydroxy-3-[(2/4-hydroxyphenylimino)methyl]phenylazo}benzoic acids [H₃L¹/H₃L²] were synthesized by reacting the ligands with either bis-tri-n-butyltin(IV) oxide (for 1 and 4) or trimethyltin(IV) chloride in presence of triethylamine (for 2 and 5) or triphenyltin(IV) hydroxide (for 3 and 6). The complexes were characterized by elemental analysis, UV, IR, NMR, and mass spectrometry. NMR spectroscopic studies of the compounds suggested that the complexes adopt four-coordinate tetrahedral geometry around tin in solution. Molecular structures of 1 and 2 were determined by single-crystal X-ray diffraction. Both complexes have distorted trigonal bipyramidal geometry around tin in the solid state. Compound 1 is a one-dimensional (1-D) double chain coordination polymer which can be described as two different 24- and 30-membered non-porous macrocyclic rings constructed from two tributyltin units and two ligand moieties. The structure of 2 comprises a discrete cyclic centrosymmetric dimer with two lattice water molecules per formula unit. In the dimer, two trimethyltin entities are bridged by two ligand moieties. The dimers are further interconnected with lattice water molecules by multiple O–H?O hydrogen bonds to form a 1-D H-bonded network. The complexes were also screened for their antimicrobial activities.     

Multichromophoric Organic Molecules Encapsulated in Polymer Nanoparticles for Artificial Light Harvesting

We designed a self‐assembled multichromophoric organic molecular arrangement inside polymer nanoparticles for light‐harvesting antenna materials. The self‐assembled molecular arrangement of quaterthiophene molecules was found to be an efficient light‐absorbing antenna material, followed by energy transfer to Nile red (NR) dye molecules, which was confined in polymer nanoparticles. The efficiency of the antenna effect was found to be 3.2 and the effective molar extinction coefficient of acceptor dye molecules was found to be enhanced, which indicates an efficient light‐harvesting system. Based on this energy‐transfer process, tunable photo emission and white light emission has been generated with 14 % quantum yield. Such self‐assembled oligothiophene–NR systems encapsulated in polymer nanoparticles may open up new possibilities for fabrication of artificial light harvesting system.     

A new iodine catalyzed regioselective synthesis of xanthene synthons

This Letter describes the iodine catalyzed one-pot regioselective synthesis of p-condensed xanthenes as our key point of transformation, which provides an efficient access to five skeletally diverse scaffolds in excellent yields.     

Simultaneous pseudo-time stepping for aerodynamic shape optimization

In this paper we discuss about numerical methods for aerodynamic shape optimization problems. These problems require efficient CFD techniques to solve the state (as well as costate) equations and fast algorithms for solving the optimization problems. Both of these are independent active areas of research since long time. Wide range of applications in science and engineering involve solution of optimization problems where the governing PDEs appear as constraints. Therefore, merging the two for the purpose of practical applicability is relatively new. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

MHD flow and heat transfer from continuous surface in uniform free stream of non-Newtonian fluid

An analysis is carried out to study the steady flow and heat transfer charac- teristics from a continuous flat surface moving in a parallel free stream of an electrically conducting non-Newtonian viscoelastic fluid.The flow is subjected to a transverse uni- form magnetic field.The constitutive equation of the fluid is modeled by that for a second grade fluid.Numerical results are obtained for the distribution of velocity and temperature profiles.The effects of various physical parameters like viscoelastic param- eter,magnetic parameter and Prandtl number on various momentum and heat transfer characteristics are discussed in detail and shown graphically.     

One-shot multigrid method for aerodynamic shape optimization

This paper presents a numerical method for aerodynamic shape optimization problems. It is based on simultaneous pseudotime-stepping in which the optimality is reached simultaneously with the state and costate feasibility. An optimization-based multigrid strategy results in efficient convergence of the method. The total effort of optimization is less than two forward simulation runs. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Nuclear structure calculations using momentum-dependent delta interactions (MDD)

The ground-state properties of a nucleus have been investigated using momentum- and density-dependent δ-interactions. Unlike the Skyrme type of interaction, the two-body interaction used has terms dependent on the fourth power of the relative momenta. The role of these new terms has been investigated by using the density-matrix expansion technique of Negele and Vautherin. The interaction has been used to calculate, amongst other phenomena, the ion-ion interaction potential and the nucleon-nucleus optical potential. The improvements obtained using such an interaction over the Skyrme II type of interactions (which have small odd state components) are discussed in detail. It is shown that the effective mass, $\text{m}{}^1$, is larger in magnitude than obtained by using the Skyrme II type of interaction. It has been suggested that such interactions could be more appropriate than the Skyrme type of interactions in physical situations where large momentum transfers are involved.