Vacuum ultraviolet circular dichroism spectrum of β-turn in solution

The vacuum ultraviolet circular dichroism spectrum of an isolated 4 → 1 hydrogen bonded β-turn is reported. The observed spectrum of N-acetyl-Pro-Gly-Leu-OH at − 40°C in trifluoroethanol is in good agreement with the theoretically calculated CD spectrum of the β-turn conformation. This spectrum, particularly the presence of a strong negative band around 180 nm and a large ratio [θ]201/[θ]225, can be taken as a characteristic feature of the isolated β-turn conformation. These CD spectral features can thus be used to distinguish the β-turn conformation from the β-structure in solution.

Generation of spectrum compatible accelerograms

In this paper a new method is presented for generating earthquake accelerograms which have pre-established response spectra. The non-stationary random nature and other salient features of the accelerograms can be taken care of by the procedure developed. The method leads to a sample spectrum which lies above the given spectrum. The generation of records to suit several spectra simultaneously can also be handled by this approach. The method is detailed first. This is followed by several numerical examples.

Analysis of the Ce 3d-4d4d Auger spectrum with the use of synchrotron radiation

We report 3d-4d4d Auger spectra of Ce metal with the use of synchrotron radiation to excite the initial core hole. By sweeping the excitation energy through the 3d-->4f threshold, it has been possible to excite different initial states selectively, enabling us to analyze the complex spectrum in terms of different contributions arising from various deca channels.

Analysis of the Gd 4d-XY Auger spectrum using synchrotron radiation

We report the 4d-XY (X, Y = 5p, 4f, and the conduction band) Auger spectra of clean Gd using a monochromatic photon source with energies above and below the 3d threshold. The spectra with higher hv show the existence of intense spectator-hole Auger transitions. Comparison of these spectra with those obtained with a primary electron source allows detailed interpretation of the various features and explains the unusual spin polarization of the electron-induced spectrum reported earlier.

Application of a modified z-cosy experiment for the analysis of spectra of oriented molecules - the spectrum of cis,cis-mucanonitrile

NMR spectra of cis,cis-mucanonitrile oriented in a liquid crystal have been analysed using the connectivity information obtained from a modified Z-COSY experiment which provided crucial clues for the starting parameters for the iterative analysis. The proton spectra with and without C-13 satellites and the C-13 spectra have thus been interpreted. The indirect spin-spin couplings required for the analyses have been obtained from the corresponding isotropic spectra. The H-1-H-1 and C-13-H-1 dipolar couplings so obtained have been utilized to determine the relative internuclear distances. The results indicate that the molecule is planar. (C) 1994 Academic Press, Inc.

A structural study of Li2S---B2S3 glasses by neutron diffraction

The radial distribution functions (RDFs) of five xLi2S.(1 - x)B2S3 glasses (x = 0.55, 0.60, 0.67, 0.71 and 0.75) have been determined from neutron diffraction experiments performed at the Institut Laue-Langevin, Grenoble. These glasses are prepared by casting a molten mixture of boron, sulphur and Li2S inside a controlled atmosphere glovebox. Addition of the Li2S Modifier is found gradually to suppress all peaks corresponding to interatomic distances > 3.5 angstrom, which implies that the structural entities present in these glasses become segmented, and therefore more ionic, as x increases. The assumption of the existence of four main structural entities based on four- and three-coordinated borons (the latter carrying bridging and/or non-bridging sulphurs) accounts for all the peaks present in the RDFs as a function of composition. Furthermore, in the most modified glass (x = 0.75), that which contains only 'isolated' BS33- triangles, there seems to be evidence for either octahedral or tetrahedral coordination of Li+ by S- ions

Cooperative Spectrum Sensing Algorithms For OFDM Systems with Frequency Selective Channels

This paper considers the problem of spectrum sensing in cognitive radio networks when the primary user employs Orthogonal Frequency Division Multiplexing (OFDM). We specifically consider the scenario when the channel between the primary and a secondary user is frequency selective. We develop cooperative sequential detection algorithms based on energy detectors. We modify the detectors to mitigate the effects of some common model uncertainties such as timing and frequency offset, IQ-imbalance and uncertainty in noise and transmit power. The performance of the proposed algorithms are studied via simulations. We show that the performance of the energy detector is not affected by the frequency selective channel. We also provide a theoretical analysis for some of our algorithms.

Bayesian Decentralized Spectrum Sensing in Cognitive Radio Networks

This paper considers the problem of spectrum sensing, i.e., the detection of whether or not a primary user is transmitting data by a cognitive radio. The Bayesian framework is adopted, with the performance measure being the probability of detection error. A decentralized setup, where N sensors use M observations each to arrive at individual decisions that are combined at a fusion center to form the overall decision is considered. The unknown fading channel between the primary sensor and the cognitive radios makes the individual decision rule computationally complex, hence, a generalized likelihood ratio test (GLRT)-based approach is adopted. Analysis of the probabilities of false alarm and miss detection of the proposed method reveals that the error exponent with respect to M is zero. Also, the fusion of N individual decisions offers a diversity advantage, similar to diversity reception in communication systems, and a tight bound on the error exponent is presented. Through an analysis in the low power regime, the number of observations needed as a function of received power, to achieve a given probability of error is determined. Monte-Carlo simulations confirm the accuracy of the analysis.

Dynamic structure factors of a dense mixture

We compute the dynamic structure factors of a dense binary liquid mixture. These describe dynamics on molecular length scales, where structural relaxation is important. We find that the presence of a few large particles in a dense fluid of small particles slows down the dynamics considerably. We also observe a deep narrowing of the spectrum for a disordered mixture composed of a nearly equal packing of the two species. In contrast, a few small particles diffuse easily in the background of a dense fluid of large particles. We expect our results to describe neutron scattering from a dense mixture.

Cu 2p core-level photoemission spectrum of Sr2CuO3

We measure the Cu 2p X-ray photoemission spectrum (XPS) of Sr2CuO3 and analyze it by means of exact diagonalization calculations for (CunO3n)(4n-) clusters. In Sr2CuO3, the intensity ratio of the 3d(y) satellite to the 3d(10)(L) under bar main line is 0.35-0.4, which is evidently smaller than that in the other high-T-c related cuprates. We ascribe it as the smaller charge-transfer energy between the Cu 3d and O 2p. The origin of the broad main-line of Sr2CuO3 is also discussed.

Neutron diffraction study of the coupling between spin, lattice, and structural degrees of freedom in 0.8BiFeO(3)-0.2PbTiO(3)

A powder neutron diffraction study was carried out on 0.8BiFeO(3)-0.2PbTiO(3) in the temperature range 27-1000 degrees C. The system exhibits magnetic transition at similar to 300 degrees C and a rhombohedral (R3c)-cubic (Pm3m) ferroelectric phase transition at similar to 650 degrees C. Anomalous variation in the lattice parameters and the octahedral tilt angle is observed across the magnetic transition temperature. In the magnetic phase, the c parameter is contracted and the octahedral tilt angle is slightly increased. The results suggest coupling between the spin, lattice and structural degrees of freedom. (C) 2011 American Institute of Physics. doi:10.1063/1.3555093]

Role of spacer chain length in dimeric micellar organization. Small angle neutron scattering and fluorescence studies

Micelles of different dimeric amphiphiles Br-, n-C(16)H(33)NMe(2)(+) -(CH)(m)-N(+)Me(2)-n-C16H33, Br- (where m = 3, 4, 5, 6, 8, 10, and 12) adapt different morphologies and internal packing arrangements in aqueous media depending on their spacer chain length (m). Detailed measurements of small angle neutron scattering (SANS) cross sections from different bis-cationic, dimeric surfactant micelles in aqueous media (D2O) are reported. The data have been analyzed using the Hayter and Penfold model for macro ion solution to compute the interparticle structure factor S(Q) taking into account the screened Coulomb interactions between the dimeric micelles. The SANS analysis clearly indicated that the extent of aggregate growth and the variations of shapes of the dimeric micelles depend primarily on the spacer chain length. With spacer chain length, m less than or equal to 4, the propensity of micellar growth was particularly pronounced. The effects of the variation of the concentration of dimeric surfactants with m = 5 and 10 on the SANS spectra and the effects of the temperature variation for the micellar system with m = 10 were also examined. The critical micelle concentrations (cmc) and their microenvironmental feature, namely, the microviscosities that the dimeric micellar aggregates offer to a solubilized, extrinsic fluorescence probe, 1,6-diphenyl-1,3,5-hexatriene, were also determined. The changes of cmcs and microviscosities as a function of spacer chain length have been explained in terms of conformational variations and progressive looping of the spacer in micellar core upon increasing m values.

Fatigue crack growth under an eqivalent falstaff spectrum

Optical fractography was used to estimate growth of small cracks at notches under programmed FALSTAFF loading in an Al-Cu alloy. Crack sizes as low as 25 microns and growth rates over two orders of magnitude could be resolved using this technique. Randomized MiniFALSTAFF load sequence was modified into a programmed load equivalent with major loads either preceding or following marker loads. Crack growth rate under programmed FALSTAFF spectrum as estimated by optical fractography conformed to compliance based estimates on a SE(T) specimen. Long crack growth rates under programmed and randomized MiniFALSTAFF spectrum were essentially similar. Spectrum load fatigue crack growth was studied in central hole coupons under notch inelastic conditions. Scatter in growth rates for small notch cracks was found to be of the same magnitude as that of long cracks. Multiple fatigue cracks are observed at the notch root, and they appear to influence each other.

Perturbation of the infrared spectrum of lanthanum cobaltate induced by vibronic coupling

Anomalous changes in the infrared intensity of the cobalt-oxygen stretching modes in the infrared spectrum of lanthanum cobaltate (LaCoO3) suggest vibronic coupling. This phenomenon has been studied by infrared vibrational spectroscopy both by temperature-induced changes of spin-state occupation and pressure-induced changes of the crystal field splitting 10Dq.