Spin State Selective Excitation of Single Quantum Transitions Using Multiple Quantum Spectroscopy- an Aid to Analyse Complex Proton NMR spectra of Oriented Molecules

NMR spectra of molecules oriented in liquid-crystalline matrix provide information on the structure and orientation of the molecules. Thermotropic liquid crystals used as an orienting media result in the spectra of spins that are generally strongly coupled. The number of allowed transitions increases rapidly with the increase in the number of interacting spins. Furthermore, the number of single quantum transitions required for analysis is highly redundant. In the present study, we have demonstrated that it is possible to separate the subspectra of a homonuclear dipolar coupled spin system on the basis of the spin states of the coupled heteronuclei by multiple quantum (MQ)−single quantum (SQ) correlation experiments. This significantly reduces the number of redundant transitions, thereby simplifying the analysis of the complex spectrum. The methodology has been demonstrated on the doubly 13C labeled acetonitrile aligned in the liquid-crystal matrix and has been applied to analyze the complex spectrum of an oriented six spin system.

Direct Infrared Absorption Spectroscopy of Benzene Dimer

The direct infrared (IR) absorption spectrum of benzene dimer formed in a free-jet expansion was recorded in the 3.3 mu m region for the first time. This has led to the observation of the C H stretching fundamental mode nu(13) (B(1u)), which is both IR and Raman forbidden in the monomer. Moreover, the IR forbidden and Raman allowed nu(7) (E(2g)) mode has been observed as well. These two modes were found to be red-shifted along with the IR allowed nu(20) (E(1u)) mode, as previously reported by Erlekam et al. [Erlekam; Frankowski; Meijer; Gert von Helden J. Chem. Phys. 2006, 124, 171101], using ion-dip spectroscopy, contrary to the blue-shift predicted earlier by theoretical studies. The observation of the nu(13) band indicates that the symmetry is reduced in the dimer, confirming the T-shaped structure observed by Erlekam et al. Our experimental results have not provided any direct evidence for the presence of the parallel displaced geometry, the main objective of the present work, as predicted by theoretical calculations.

Phase Characterization and Study of Molecular Order of a Three-Ring Mesogen by (13)C NMR in Smectic C and Nematic Phases

Molecules exhibiting a thermotropic liquid-crystalline property have acquired significant importance due to their sensitivity to external stimuli such as temperature, mechanical forces, and electric and magnetic fields. As a result, several novel mesogens have been synthesized by the introduction of various functional groups in the vicinity of the aromatic core as well as in the side chains and their properties have been studied. In the present study, we report three-ring mesogens with hydroxyl groups at one terminal. These mesogens were synthesized by a multistep route, and structural characterization was accomplished by spectral techniques. The mesophase properties were studied by hot-stage optical polarizing microscopy, differential scanning calorimetry, and small-angle X-ray scattering. An enantiotropic nematic phase was noticed for lower homologues, while an additional smectic C phase was found for higher homologues. Solid-state high-resolution natural abundance (13)C NMR studies of a typical mesogen in the solid phase and in the mesophases have been carried out. The (13)C NMR spectrum of the mesogen in the smectic C and nematic phases indicated spontaneous alignment of the molecule in the magnetic field. By utilizing the two-dimensional separated local field (SLF) NMR experiment known as SAMPI4, (13)C-(1)H dipolar couplings have been obtained, which were utilized to determine the orientational order parameters of the mesogen.

Assessing Degree of Novelty of Products to Ascertain Innovative Products

Substantial increase in competition compels design firms to develop new products at an increasingly rapid pace. This situation pressurizes engineering teams to develop better products and at the same time develop products faster [1]. Continuous innovation is a key factor to enable a company to generate profit on a continued basis, through the introduction of new products in the market – a prime intention for Product Lifecycle Management. Creativity, affecting a wide spectrum of business portfolios, is regarded as the crucial factor for designing products. A central goal of product development is to create products that are sufficiently novel and useful. This research focuses on the determination of novelty of engineering products. Determination of novelty is important for ascertaining the newness of a product, to decide on the patentability of the design, to compare designers' capability of solving problems and to ascertain the potential market of a product. Few attempts at measuring novelty is available in literature [2, 3, 4], but more in-depth research is required for assessing degree of novelty of products. This research aims to determine the novelty of a product by enabling a person to determine the degree of novelty in a product. A measure of novelty has been developed by which the degree of ''novelty'' of products can be ascertained. An empirical study has been conducted to determine the validity of this method for determining the 'novelty' of the products.

EPR, thermo and photoluminescence properties of ZnO nanopowders

Nanocrystalline ZnO powders have been synthesized by a low temperature solution combustion method. The photoluminescence (PL) spectrum of as-formed and heat treated ZnO shows strong violet (402, 421, 437, 485 nm) and weak green (520 nm) emission peaks respectively. The PL intensities of defect related emission bands decrease with calcinations temperature indicating the decrease of Zn(i) and V(o)(+) caused by the chemisorptions of oxygen. The results are correlated with the electron paramagnetic resonance (EPR) studies. Thermoluminescence (TL) glow curves of gamma irradiated ZnO nanoparticles exhibit a single broad glow peak at similar to 343 degrees C. This can be attributed to the recombination of charge carriers released from the surface states associated with oxygen defects, mainly interstitial oxygen ion centers. The trapping parameters of ZnO irradiated with various gamma-doses are calculated using peak shape method. It is observed that the glow peak intensity increases with increase of gamma dose without changing glow curve shape. These two characteristic properties such as TL intensity increases with gamma dose and simple glow curve structure is an indication that the synthesized ZnO nanoparticles might be used as good TL dosimeter for high temperature application. (C) 2011 Elsevier B.V. All rights reserved.

Detection and determination of manganese concentration in water using a fiber Bragg grating coupled with nanotechnology

Through this paper we experimentally demonstrate the fabrication of a fiber Bragg grating (FBG) chemical sensor to detect and determine the manganese concentration in water and compare our results with sophisticated spectroscopic methods, such as atomic absorption spectrometry and the inductively coupled plasma method. Here we propose a simple method to develop a thin layer of gold nanoparticles above the etched grating region to enhance the sensitivity of the reflected spectrum of the FBG. By doing so, we achieve a sensitivity of 1.26 nm/parts per million in determining the trace level of Mn in water. Proper reagents are used to detect manganese in water. (C) 2011 Optical Society of America

Constant weight codes based on ideals of commutative rings

We present a construction of constant weight codes based on the prime ideals of a Noetherian commutative ring. The coding scheme is based on the uniqueness of the primary decomposition of ideals in Noetherian rings. The source alphabet consists of a set of radical ideals constructed from a chosen subset of the prime spectrum of the ring. The distance function between two radical ideals is taken to be the Hamming metric based on the symmetric distance between sets. As an application we construct codes for random networks employing SAF routing.