Advances in Light-Emitting Doped Semiconductor Nanocrystals

Insertion of just a few impurity atoms in a host semiconductor nanocrystal can drastically alter its phase, shape, and physical properties. Such doped nanomaterials now constitute an important class of optical materials that can provide efficient, stable, and tunable dopant emission in visible and NIR spectral windows. Selecting proper dopants and inserting them in appropriate hosts can generate many new series of such doped nanocrystals with several unique and attractive properties in order to meet current challenges in the versatile field of luminescent materials. However, the synthesis of such doped nanomaterials with a specific dopant in a predetermined host at a desired site leading to targeted optical properties requires fundamental understanding of both the doping process as well as the resulting photophysical properties. Summarizing up to date literature reports, in this Perspective we discuss important advances in synthesis methods and in-depth understanding of the optical properties, with an emphasis on the most widely investigated Mn-doped semiconductor nanocrystals.

NMR methods for fast data acquisition

NMR spectroscopy has witnessed tremendous advancements in recent years with the development of new methodologies for structure determination and availability of high-field strength spectrometers equipped with cryogenic probes. Supported by these advancements, a new dimension in NMR research has emerged which aims to increase the speed with data is collected and analyzed. Several novel methodologies have been proposed in this direction. This review focuses on the principles on which these different approaches are based with an emphasis on G-matrix Fourier transform NMR spectroscopy.

Colloidal calcium nanoparticles: digestive ripening in the presence of a capping agent and coalescence of particles under an electron beam

The nanochemistry of calcium remains unexplored, which is largely due to the inaccessibility of calcium nanoparticles in an easy to handle form by conventional methods of synthesis as well as its highly reactive and pyrophoric nature. The synthesis of colloidal Ca nanoparticles by the solvated metal atom dispersion (SMAD) method is described. The as-prepared Ca-THF nanoparticles, which are polydisperse, undergo digestive ripening in the presence of a capping agent, hexadecyl amine (HDA) to afford highly monodisperse colloids consisting of 2-3 nm sized Ca-HDA nanoparticles. These are quite stable towards precipitation for long periods of time, thereby providing access to the study of the nanochemistry of Ca. Particles synthesized in this manner were characterized by UV-visible spectroscopy, high resolution electron microscopy, and powder X-ray diffraction methods. Under an electron beam, two adjacent Ca nanoparticles undergo coalescence to form a larger particle.

CNT loading into cationic cholesterol suspensions show improved DNA binding and serum stability and ability to internalize into cancer cells

Methods which disperse single-walled carbon nanotubes (SWNTs) in water as `debundled', while maintaining their unique physical properties are highly useful. We present here a family of cationic cholesterol compounds (Chol(+)) {Cholest-5en-3 beta-oxyethyl pyridinium bromide (Chol-PB+), Cholest-5en-3 beta-oxyethyl N-methyl pyrrolidinium bromide (Chol-MPB+), Cholest-5en-3 beta-oxyethyl N-methyl morpholinium bromide (Chol-MMB+) and Cholest-5en-3 beta-oxyethyl diazabicyclo octanium bromide (Chol-DOB+)}. Each of these could be easily dispersed in water. The resulting cationic cholesterol (Chol(+)) suspensions solubilized single-walled carbon nanotubes (SWCNTs) by the non-specific physical adsorption of Chol(+) to form stable, transparent, dark aqueous suspensions at room temperature. Electron microscopy reveals the existence of highly segregated CNTs in these samples. Zeta potential measurements showed an increase in potential of cationic cholesterol aggregates on addition of CNTs. The CNT-Chol(+) suspensions were capable of forming stable complexes with genes (DNA) efficiently. The release of double-helical DNA from such CNT-Chol(+) complexes could be induced upon the addition of anionic micellar solution of SDS. Furthermore, the CNT-based DNA complexes containing cationic cholesterol aggregates showed higher stability in fetal bovine serum media at physiological conditions. Confocal studies confirm that CNT-Chol(+) formulations adhere to HeLa cell surfaces and get internalized more efficiently than the cationic cholesterol suspensions alone (devoid of any CNTs). These cationic cholesterol-CNT suspensions therefore appear to be a promising system for further use in biological applications.

Prototype learning methods for online handwriting recognition

In this paper, we study different methods for prototype selection for recognizing handwritten characters of Tamil script. In the first method, cumulative pairwise- distances of the training samples of a given class are used to select prototypes. In the second method, cumulative distance to allographs of different orientation is used as a criterion to decide if the sample is representative of the group. The latter method is presumed to offset the possible orientation effect. This method still uses fixed number of prototypes for each of the classes. Finally, a prototype set growing algorithm is proposed, with a view to better model the differences in complexity of different character classes. The proposed algorithms are tested and compared for both writer independent and writer adaptation scenarios.

Beat frequency oscillations in the output voltage of high voltage DC power supplies under pulsed loading

High voltage power supplies for radar applications are investigated, which are subjected to pulsed load (125 kHz and 10% duty cycle) with stringent specifications (<0.01% regulation, efficiency>85%, droop<0.5 V/micro-sec.). As good regulation and stable operation requires the converter to be switched at much higher frequency than the pulse load frequency, transformer poses serious problems of insulation failure and higher losses. Few converter topologies are proposed to tackle these problems. A study is made regarding the beat frequency oscillations that may exist with pulsed loading. It is illustrated with respect to the proposed converter topologies. Methods are proposed to eliminate or minimize these oscillations.

Study on the structure and vibrational spectra of efavirenz conformers using DFT: Comparison to experimental data

Efavirenz, (S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3 ,1-benzoxazin-2-one, is an anti HIV agent belonging to the class of the non-nucleoside inhibitors of the HIV-1 virus reverse transcriptase. A systematic quantum chemical study of the possible conformations, their relative stabilities and vibrational spectra of efavirenz has been reported. Structural and spectral characteristics of efavirenz have been studied by vibrational spectroscopy and quantum chemical methods. Density functional theory (DFT) calculations for potential energy curve, optimized geometries and vibrational spectra have been carried out using 6-311++G(d,p) basis sets and B3LYP functionals. Based on these results, we have discussed the correlation between the vibrational modes and the crystalline structure of the most stable form of efavirenz. A complete analysis of the experimental infrared and Raman spectra has been reported on the basis of wavenumber of the vibrational bands and potential energy distribution. The infrared and the Raman spectra of the molecule based on OFT calculations show reasonable agreement with the experimental results. The calculated HOMO and LUMO energies shows that charge transfer occur within the molecule. (C) 2011 Elsevier B.V. All rights reserved.

Unzipping and binding of small interfering RNA with single walled carbon nanotube: A platform for small interfering RNA delivery

In an effort to design efficient platform for siRNA delivery, we combine all atom classical and quantum simulations to study the binding of small interfering RNA (siRNA) by pristine single wall carbon nanotube (SWCNT). Our results show that siRNA strongly binds to SWCNT surface via unzipping its base-pairs and the propensity of unzipping increases with the increase in the diameter of the SWCNTs. The unzipping and subsequent wrapping events are initiated and driven by van der Waals interactions between the aromatic rings of siRNA nucleobases and the SWCNT surface. However, molecular dynamics (MD) simulations of double strand DNA (dsDNA) of the same sequence show that the dsDNA undergoes much less unzipping and wrapping on the SWCNT in the simulation time scale of 70 ns. This interesting difference is due to smaller interaction energy of thymidine of dsDNA with the SWCNT compared to that of uridine of siRNA, as calculated by dispersion corrected density functional theory (DFT) methods. After the optimal binding of siRNA to SWCNT, the complex is very stable which serves as one of the major mechanisms of siRNA delivery for biomedical applications. Since siRNA has to undergo unwinding process with the effect of RNA-induced silencing complex, our proposed delivery mechanism by SWCNT possesses potential advantages in achieving RNA interference. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3682780]

Optimal static voltage stability improvement using a numerically stable SLP algorithm, for real time applications

A numerically stable sequential Primal–Dual LP algorithm for the reactive power optimisation (RPO) is presented in this article. The algorithm minimises the voltage stability index C 2 [1] of all the load buses to improve the system static voltage stability. Real time requirements such as numerical stability, identification of the most effective subset of controllers for curtailing the number of controllers and their movement can be handled effectively by the proposed algorithm. The algorithm has a natural characteristic of selecting the most effective subset of controllers (and hence curtailing insignificant controllers) for improving the objective. Comparison with transmission loss minimisation objective indicates that the most effective subset of controllers and their solution identified by the static voltage stability improvement objective is not the same as that of the transmission loss minimisation objective. The proposed algorithm is suitable for real time application for the improvement of the system static voltage stability.

Comparison of the degree of creativity in the design outcomes using different design methods

This work analyses the influence of several design methods on the degree of creativity of the design outcome. A design experiment has been carried out in which the participants were divided into four teams of three members, and each team was asked to work applying different design methods. The selected methods were Brainstorming, Functional Analysis, and SCAMPER method. The `degree of creativity' of each design outcome is assessed by means of a questionnaire offered to a number of experts and by means of three different metrics: the metric of Moss, the metric of Sarkar and Chakrabarti, and the evaluation of innovative potential. The three metrics share the property of measuring the creativity as a combination of the degree of novelty and the degree of usefulness. The results show that Brainstorming provides more creative outcomes than when no method is applied, while this is not proved for SCAMPER and Functional Analysis.