First-principles study of defect-induced magnetism in carbon

We have studied the role of defects on the magnetic properties of carbon materials using first-principles density functional methods. We show that, while the total magnetization decreases both for diamond and graphite with increase in vacancy density, the magnetization decreases more rapidly for graphitic structures. The presence of nitrogen nearby a vacancy is shown to produce larger macroscopic magnetic signals as compared to a standalone carbon vacancy. The results indicate the possibility of tuning magnetization in carbon by controlled defect generation and doping.     

Simultaneous quantitation of rosuvastatin and gemfibrozil in human plasma by high-performance liquid chromatography and its application to a pharmacokinetic study

A simple, sensitive and specific high-performance liquid chromatography method is described for simultaneous determination of rosuvastatin (RST) and gemfibrozil (GFZ) in human plasma using celecoxib as an internal standard (IS). The assay procedure involved extraction of RST, GFZ and IS from plasma into acetonitrile. Following separation and evaporation of the organic layer the residue was reconstituted in the mobile phase and injected onto an X-Terra C(18) column (4.6 x 150 mm, 5.0 microm). The chromatographic run time was less than 20 min using flow gradient (0.0-1.60 mL/min) with a mobile phase consisting of 0.01 M ammonium acetate:acetonitrile:methanol (50:40:10, v/v/v) and UV detection at 275 nm. Nominal retention times of RST, GFZ and IS were 6.7, 13.9 and 16.4 min, respectively. Absolute recovery of both analytes and IS was greater than 90%. The lower limit of quantification (LLOQ) of RST and GFZ was 0.03 and 0.30 microg/mL, respectively. Linearity was excellent (r(2) = 0.999) in the 0.03-10 microg/mL and 0.3-100 microg/mL ranges for RST and GFZ, respectively. The inter- and intra-day precisions in the measurement of RST quality control (QC) samples 0.03, 0.09, 2.50 and 8.00 microg/mL were in the range 2.37-9.78% relative standard deviation (RSD) and 0.92-10.08% RSD, respectively. Similarly, the inter- and intra-day precisions in the measurement of GFZ quality control (QC) samples 0.30, 0.90, 25.0 and 80.0 microg/mL were in the ranges 2.79-6.27 and 0.96-9.69% RSD, respectively. Accuracies in the measurement of QC samples for RST and GFZ were in the range 85.43-107.23 and 84.98-102.35% respectively, of the nominal values. RST and GFZ were stable in the array of stability studies viz., bench-top, auto-sampler and freeze-thaw cycles. Stability of RST and GFZ was established for 1 month at -80C. The application of the assay in an oral pharmacokinetic study in rats co-administered with RST and GFZ is described.     

Molecular junctions by joining single-walled carbon nanotubes

Crossing single-walled carbon nanotubes can be joined by electron beam welding to form molecular junctions. Stable junctions of various geometries are created in situ in a transmission electron microscope. Electron beam exposure at high temperatures induces structural defects which promote the joining of tubes via cross-linking of dangling bonds. The observations are supported by molecular dynamics simulations which show that the creation of vacancies and interstitials induces the formation of junctions involving seven- or eight-membered carbon rings at the surface between the tubes.     

Functionalization of carbon nanotubes using phenosafranin

Spectroscopic analysis and atomic force microscopy (AFM) phase imaging studies show self-assembly of phenosafranin (PSF) to multiwalled carbon nanotubes (MWNTs). The shift in absorption spectra is associated with charge transfer of valence electrons from PSF to electron accepting sites on the MWNTs. The Raman-active disorder modes are used to fingerprint PSF attachment to MWNTs via defect states. AFM phase imaging was used to obtain a molecular topographic visual confirmation of PSF attached to the MWNT.     

Dynamic behavior of nickel atoms in graphitic networks

The dynamic behavior of nickel atoms in graphitic carbon onions, observed by in situ atomic-resolution electron microscopy, shows the formation of stable new C-Ni phases. Nickel is observed to take substitutional in-plane positions in graphene layers, forming a planar graphitelike C-Ni lattice. Evidence is furthermore seen for the formation of a cubic C-Ni phase, suggesting a possible phase transformation in C-Ni from a graphitelike to a diamondlike structure. The stability of the planar phases is shown by first-principles calculations which also indicate that the C-Ni planes are metallic.     

Mesoporous aluminosilicate nanocage-catalyzed three-component coupling reaction: an expedient synthesis of α-aminophosphonates

Here we demonstrate for the first time the synthesis of α-aminophosphonates through the three-component coupling reaction of aldehydes, amines, and diethyl phosphite by using highly acidic 3D mesoporous aluminosilicate nanocage catalyst, which gave excellent yield with a high selectivity in a short reaction time due to its high acidity, 3D pores, and a huge space in the nanocages.