Structural Studies of Analgesics and Their Interactions. V.* The Crystal and Molecular Structure of Metamizol Monohydrate

Metamizol, Na[Ct3H16N3045], C13H16N304S-Na +, a sulphonyl derivative of amidopyrine, is perhaps the most widely used non-narcotic analgetic and antiinflammatory pyrazolone derivative. The monohydrate of the compound crystallizes in the monoclinic space group P2Jc with eight molecules in a unit cell of dimensions a = 9.143 (3), b = 49.50 (2), c = 7.314 (2)/k and fl = 90.9 (1) °. The structure was solved by direct methods and refined to an R value of 0.080 for 4466 observed reflections. The two crystallographically independent molecules in the structure have similar dimensions. The elongated molecules are hydrophobic at one end and hydrophilic at the other with the middle portion partly hydrophobic and partly hydrophilic. The pyrazolone group in the structure has dimensions similar to those found in uncomplexed antipyrine and amidopyrine. The crystal structure can be described as consisting of double layers of metamizol molecules stacked perpendicular to the b axis. The adjacent double layers are separated by a layer of Naions and water molecules.

QCD with dynamical Wilson fermions. II

We present results for the QCD spectrum and the matrix elements of scalar and axial-vector densities at β=6/g2=5.4, 5.5, 5.6. The lattice update was done using the hybrid Monte Carlo algorithm to include two flavors of dynamical Wilson fermions. We have explored quark masses in the range ms≤mq≤3ms. The results for the spectrum are similar to quenched simulations and mass ratios are consistent with phenomenological heavy-quark models. The results for matrix elements of the scalar density show that the contribution of sea quarks is comparable to that of the valence quarks. This has important implications for the pion-nucleon σ term.

Conformational studies of the triphenylphosphazenyl side chain in cyclophosphazenes. I. Crystal and molecular structure of N3P3C15(NPPh3)

The title compound, C t8H~sC15NaP4, crystallizes in the monoclinic space group P2~/n with a = 20.14 (2), b = 8.69 (1), c = 14.92 (2) A, fl = 98.8 (3) ° , Z = 4. The structure was determined from visual data and refined to R = 0-069 for 1450 reflections. The cyclophosphazene ring is non-planar. The exocyclic NPPh 3 group exhibits type I conformation [R. A. Shaw (1975). Pure Appl. Chem. 44, 317-341] in which the N-P bond is perpendicular to the adjacent P-CI bond.

X-ray studies on crystalline complexes involving amino acids and peptides. XXI. Structure of a (1:1) complex between L-phenylalanine and D-valine

CsHllNO2.C9HilNO2, Mr = 282.3, P1, a = 5.245 (1), b = 5.424 (1), c = 14.414 (2) A, a = 97.86 (1), fl = 93-69 (2), y = 70-48 (2) °, V= 356 A 3, Z = 1, O m = 1-32 (2), Dx = 1.32 g cm-3, h(Mo Ka) = 0-7107 A, g = 5-9 cm-1, F(000) = 158, T= 298 K, R=0.035 for 1518 observed reflections with I>2tr(I). The molecules aggregate in double layers, one ayer made up of L-phenylalanine molecules and the other of D-valine molecules. Each double layer is stabilized by interactions involving main-chain atoms of both types of molecules. The interactions include hydrogen bonds which give rise to two head-to-tail sequences. The arrangement of molecules in the complex is almost the same as that in the structure of DL-valine (and DL-leucine and DL-isoleucine) except for the change in the side chain of L molecules. The molecules in crystals containing an equal number of L and O hydrophobic amino-acid molecules thus appear to aggregate in a similar fashion, irrespective of the precise details of the side chain.

Kaon B parameter with Wilson fermions

We calculate the kaon B parameter in quenched lattice QCD at beta=6.0 using Wilson fermions at kappa=0.154 and 0.155. We use two kinds of nonlocal (''smeared'') sources for quark propagators to calculate the matrix elements between states of definite momentum. The use of smeared sources yields results with much smaller errors than obtained in previous calculations with Wilson fermions. By combining results for p=(0,0,0) and p=(0,0,1), we show that one can carry out the noperturbative subtraction necessary to remove the dominant lattice artifacts induced by the chiral-symmetry-breaking term in the Wilson action. Our final results are in good agreement with those obtained using staggered fermions. We also present results for B parameters of the DELTAI = 3/2 part of the electromagnetic penguin operators, and preliminary results for B(K) in the presence of two flavors of dynamical quarks.

Novel signal demodulation technique to estimate the amount of chirp in fiber Bragg gratings

A novel detection technique to estimate the amount of chirp in fiber Bragg gratings (FBGs) is proposed. This method is based on the fact that reflectivity at central wavelength of FBG reflection changes with strain/temperature gradient (linear chirp) applied to the same. Transfer matrix approach was used to vary different grating parameters (length, strength and apodization) to optimize variation of reflectivity with linear chirp. Analysis is done for different sets of `FBG length-refractive index strength' combinations for which reflectivity vary linearly with linear chirp over a decent measurement range. This article acts as a guideline to choose appropriate grating parameters in designing sensing apparatus based on change in reflectivity at central wavelength of FBG reflection.

High sensitive Static fiber Bragg grating strain sensing using lasers locked to relative frequency reference

A novel high sensitive fiber Bragg grating (FBG) strain sensing technique using lasers locked to relative frequency reference is proposed and analyzed theoretically. Static strain on FBG independent of temperature can be measured by locking frequency of diode laser to the mid reflection frequency of matched reference FBG, which responds to temperature similar to that of the sensor FBG, but is immune to strain applied to the same. Difference between light intensities reflected from the sensor and reference FBGs (proportional to the difference between respective pass band gains at the diode laser frequency) is not only proportional to the relative strain between the sensor and reference FBGs but also independent of servo residual frequency errors. Usage of relative frequency reference avoids all complexities involved in the usage of absolute frequency reference, hence, making the system simple and economical. Theoretical limit for dynamic and static strain sensitivities considering all major noise contributions are of the order of 25 (p epsilon) / root Hz and 1.2 n epsilon / root Hz respectively.

Dye sensitized visible light degradation of phenolic compounds

The present research work reports the eosin Y (EY) and fluorescein (FL) sensitized visible light degradation of phenol, 4-chlorophenol (CP), 2,4-dichlorophenol (DCP) and 2,4,6-trichlorophenol (TCP) using combustion synthesized nano-TiO2 (CS TiO2). The rate of degradation of the phenolic compounds was higher in the presence of EY/CS TiO2 compared to FL/CS TiO2 system. A detailed mechanism of sensitized degradation was proposed and a mechanistic model for the rate of degradation of the phenolic compound was derived using the pyramidal network reduction technique. It was found that at low initial dye concentrations, the rate of degradation of the phenolic compound is first order in the concentration of the dye, while at high initial dye concentrations, the rate is first order in the concentration of the phenolic compound. The order of degradation of the different phenolic compounds follows: CP > TCP > DCP > phenol. The different phenolic and dye intermediates that were formed during the degradation were identified by liquid chromatography-mass spectrometry (LC-MS) and the most probable pathway of degradation is proposed. (C) 2010 Elsevier B.V. All rights reserved.

Connectionist approach for global optimization

A connectionist approach for global optimization is proposed. The standard function set is tested. Results obtained, in the case of large scale problems, indicate excellent scalability of the proposed approach

Layered Tabu Search Algorithm for Large-MIMO Detection and a Lower Bound on ML Performance

In this paper, we are concerned with low-complexity detection in large multiple-input multiple-output (MIMO) systems with tens of transmit/receive antennas. Our new contributions in this paper are two-fold. First, we propose a low-complexity algorithm for large-MIMO detection based on a layered low-complexity local neighborhood search. Second, we obtain a lower bound on the maximum-likelihood (ML) bit error performance using the local neighborhood search. The advantages of the proposed ML lower bound are i) it is easily obtained for MIMO systems with large number of antennas because of the inherent low complexity of the search algorithm, ii) it is tight at moderate-to-high SNRs, and iii) it can be tightened at low SNRs by increasing the number of symbols in the neighborhood definition. Interestingly, the proposed detection algorithm based on the layered local search achieves bit error performances which are quite close to this lower bound for large number of antennas and higher-order QAM. For e. g., in a 32 x 32 V-BLAST MIMO system, the proposed detection algorithm performs close to within 1.7 dB of the proposed ML lower bound at 10(-3) BER for 16-QAM (128 bps/Hz), and close to within 4.5 dB of the bound for 64-QAM (192 bps/Hz).

Performance Analysis of User Selected Subband Channel Quality Indicator Feedback Scheme of LTE

Frequency-domain scheduling and rate adaptation have helped next generation orthogonal frequency division multiple access (OFDMA) based wireless cellular systems such as Long Term Evolution (LTE) achieve significantly higher spectral efficiencies. To overcome the severe uplink feedback bandwidth constraints, LTE uses several techniques to reduce the feedback required by a frequency-domain scheduler about the channel state information of all subcarriers of all users. In this paper, we analyze the throughput achieved by the User Selected Subband feedback scheme of LTE. In it, a user feeds back only the indices of the best M subbands and a single 4-bit estimate of the average rate achievable over all selected M subbands. In addition, we compare the performance with the subband-level feedback scheme of LTE, and highlight the role of the scheduler by comparing the performances of the unfair greedy scheduler and the proportional fair (PF) scheduler. Our analysis sheds several insights into the working of the feedback reduction techniques used in LTE.

Bayesian Learning for Joint Sparse OFDM Channel Estimation and Data Detection

The impulse response of a typical wireless multipath channel can be modeled as a tapped delay line filter whose non-zero components are sparse relative to the channel delay spread. In this paper, a novel method of estimating such sparse multipath fading channels for OFDM systems is explored. In particular, Sparse Bayesian Learning (SBL) techniques are applied to jointly estimate the sparse channel and its second order statistics, and a new Bayesian Cramer-Rao bound is derived for the SBL algorithm. Further, in the context of OFDM channel estimation, an enhancement to the SBL algorithm is proposed, which uses an Expectation Maximization (EM) framework to jointly estimate the sparse channel, unknown data symbols and the second order statistics of the channel. The EM-SBL algorithm is able to recover the support as well as the channel taps more efficiently, and/or using fewer pilot symbols, than the SBL algorithm. To further improve the performance of the EM-SBL, a threshold-based pruning of the estimated second order statistics that are input to the algorithm is proposed, and its mean square error and symbol error rate performance is illustrated through Monte-Carlo simulations. Thus, the algorithms proposed in this paper are capable of obtaining efficient sparse channel estimates even in the presence of a small number of pilots.

Perturbative corrections for staggered four-fermion operators

We present results for one-loop matching coefficients between continuum four-fermion operators, defined in the Naive Dimensional Regularization scheme, and staggered fermion operators of various types. We calculate diagrams involving gluon exchange between quark fines, and ''penguin'' diagrams containing quark loops. For the former we use Landau-gauge operators, with and without O(a) improvement, and including the tadpole improvement suggested by Lepage and Mackenzie. For the latter we use gauge-invariant operators. Combined with existing results for two-loop anomalous dimension matrices and one-loop matching coefficients, our results allow a lattice calculation of the amplitudes for KKBAR mixing and K --> pipi decays with all corrections of O(g2) included. We also discuss the mixing of DELTAS = 1 operators with lower dimension operators, and show that, with staggered fermions, only a single lower dimension operator need be removed by non-perturbative subtraction.

Coalition Formation With Communication Ranges and Moving Targets

A team of unmanned aerial vehicles (UAVs) with limited communication ranges and limited resources are deployed in a region to search and destroy stationary and moving targets. When a UAV detects a target, depending on the target resource requirement, it is tasked to form a coalition over the dynamic network formed by the UAVs. In this paper, we develop a mechanism to find potential coalition members over the network using principles from internet protocol and introduce an algorithm using Particle Swarm Optimization to generate a coalition that destroys the target is minimum time. Monte-Carlo simulations are carried out to study how coalition are formed and the effects of coalition process delays.

Synergistic interaction between particular X-chromosome deletions andSex-lethal causes female lethality inDrosophila melanogaster

We studied the effect on female viability of trans-heterozygous combinations of X-chromosome deficiencies and Sxt-(fl), a null allele of Sex-lethal. Twentyfive deficiencies, which together covered 80% of the X chromosome, were tested. Seven of these trans-heterozygous combinations caused significant levels of female lethality. Two of the seven interacting deficiencies include the previously known sex determination genes sans fille and sisterless-a. Four of the remaining uncover X-chromosomal regions that were not hitherto known to contain sex determination genes. These newly identified regions are defined by deficiencies Df(1)RA2 (7D10; 8A4-5), Df(1)KA14 (7F1-2; 8C6), Df(1)C52 (8E; 9C-D) and Df(1)N19 (17A1; 18A2). These four deficiencies were characterized further to determine whether it was the maternal or zygotic dosage that was primarily responsible for the observed lethality of female embryos, daughterless and extra macrochaetae, two known regulators of Sxl, influence the interaction of these deficiencies with Sxl.