Biochemical characterization of metastatic lymph nodes of breast cancer patients by in vitro 1H magnetic resonance spectroscopy: a pilot study

Using one-dimensional (1D) and two-dimensional (2D) proton nuclear magnetic resonance (NMR) methods, the perchloric acid extract of involved (n = 11) and noninvolved (n = 12) axillary lymph nodes (ALN) of breast cancer patients was investigated. Resonances from 40 metabolites such as lactate (Lac), glucose, several amino acids (alanine, lysine, glutamic acid, glutamine, etc.), nucleotides (adenosine triphosphate, guanosine triphosphate, uridine triphosphate, uridine monophosphate, etc.), membrane metabolites [glycerophosphocholine (GPC), phosphocoline (PC), phosphoethanolamine (PE), choline] were unambiguously assigned in both the involved and noninvolved ALN. The concentration of PC/GPC (p = 0.002) was significantly higher in the involved compared to noninvolved nodes. In addition, the concentration of glycolytic product Lac (p = 0.0001) was also found to be significantly higher in involved nodes. Increased concentration of membrane metabolites PC/GPC may be attributed to increased membrane synthesis in malignant cells and, therefore, suggests the presence of metastatic cells in lymph nodes. The higher concentration of Lac is indicative of the presence of malignant cells that derive energy via anaerobic glycolytic pathway. Present results demonstrate the potentials of in vitro proton NMR in detecting malignant cells in ALN and such studies may have an important bearing in determining the prognosis of breast cancer patients.     

Electronic properties and Compton profiles of molybdenum dichalcogenides

We present the first ever experimental Compton profiles of molybdenum dichalcogenides (MoX₂; X=S and Te) using 20 Ci ¹³⁷Cs Compton spectrometer. To interpret our experimental data, we have computed the theoretical profiles, energy bands and density of states using linear combination of atomic orbitals method in the framework of density functional theory and its hybridisation with Hartree Fock. The energy bands and density of states using full potential linearised augmented plane wave method have also been computed. Both theories show the existence of the indirect band gap. In addition, the relative nature of bonding is explained in terms of equal-valence-electron-density profiles and valence band charge densities.     

Electronic properties and compton profiles of silver iodide

We have carried out an extensive study of electronic properties of silver iodide in β- and γ-phases. The theoretical Compton profiles, energy bands, density of states and anisotropies in momentum densities are computed using density functional theories. We have also employed full-potential linearized augmented plane-wave method to derive the energy bands and the density of states. To compare our theoretical data, isotropic Compton profile measurement on γ-AgI using ¹³⁷Cs Compton spectrometer at an intermediate resolution of 0.38 a.u. has been undertaken. The theoretical anisotropies are also interpreted on the basis of energy bands.     

One-pot synthesis of α-aminophosphonates catalyzed by antimony trichloride adsorbed on alumina

SbCl₃ adsorbed on Al₂O₃ is found to be an efficient and recyclable catalyst in promoting three-component coupling reactions of aldehydes (aromatic and aliphatic), amines (aryl amines, aliphatic amines and esters of S-α-amino acids) and dialkylphosphites to afford the corresponding α-aminophosphonates in high yields. The ethyl ester of S-phenylalanine was observed to yield the corresponding α-aminophosphonate with S,S-diastereoisomer formed in dominance over the S,R-diastereoisomer.     

Diferric oxo-bridged complexes of a polydentate aminopyridyl ligand: synthesis,structure and catalytic reactivity

The catalytic reactivity of a group of diferric oxo-bridged complexes (1–3) of a tetradentate ligand (bpmen = N,N′-dimethyl-N,N′-bis(2-pyridylmethyl)-1,2-diaminoethane) toward alkane hydroxylation has been evaluated. Among the three complexes, the µ-oxo diiron(III) complex [Fe(bpmen)(µ-O)FeCl₃] (1) has been synthesized for the first time. The complex 1 has been characterized by spectroscopic analysis and X-ray crystallography. At room temperature, the µ-oxo diiron(III) complexes 1–3 have been found to be useful catalysts in hydroxylation of alkanes with m-chloroperbenzoic acid as oxidant. [Fe(bpmen)(µ-O)FeCl₃] (1) has been found to be the most active catalyst. Moreover, the catalytic ability of the complexes in the oxidation of alcohols to ketones with hydrogen peroxide at room temperature has also been investigated.