Correspondence between spin-dynamic phases and pulse program phases of NMR spectrometers

Spin state selective experiments have become very useful tools in solution NMR spectroscopy, particularly in the context of TROSY line narrowing. However, the practical implementation of such pulse sequences is frequently complicated by unexpected instrument behavior. Furthermore, a literal theoretical analysis of sequences published with specific phase settings can fail to rationalize such experiments and can seemingly contradict experimental findings. In this communication, we develop a practical approach to this ostensible paradox. Spin-dynamic design, rationalization, and simulation of NMR pulse sequences, as well as their confident and reliable implementation across current spectrometer hardware platforms, require precise understanding of the underlying nutation axis conventions. While currently often approached empirically, we demonstrate with a simple but general pulse program how to uncover these correspondences a priori in the general case. From this, we deduce a correspondence table between the spin-dynamic phases used in NMR theory and simulation on the one hand and pulse program phases of current commercial spectrometers on the other. As a practical application of these results, we analyze implementations of the original (1)H-(15)N TROSY experiment and illustrate how steady-state magnetization can be predictably, rather than empirically, added to a desired component. We show why and under which circumstances a literal adoption of phases from published sequences can lead to incorrect results. We suggest that pulse sequences should be consistently given with spin-dynamically correct (physical) phases, rather than in spectrometer-specific (software) syntax.     

The effect of hydrogen addition on flammability limit and NOx emission in ultra-lean counterflow CH4/air premixed flames

The effect of hydrogen addition to ultra lean counterflow CH₄/air premixed flames on the extinction limits and the characteristics of NO_x emission was investigated by numerical simulation. Detailed chemistry and complex thermal and transport properties were employed. The results show that the addition of hydrogen can significantly enlarge the flammable region and extend the flammability limit to lower equivalence ratios. If the equivalence ratio is kept constant, the addition of hydrogen increases the emission of NO in a flame due to the enhancement in the rate of the NNH or N₂O intermediate NO formation routes. The addition of hydrogen causes a monotonic decrease in the formation of NO₂ and N₂O, except flames near the extinction limits, where the emission of NO₂ and N₂O first increases, and then decreases with the increase in the fraction of hydrogen. Overall, hydrogen enrichment technology allows stable combustion under ultra lean conditions, resulting in significant CO₂ and NO emission reduction.     

Genetics of Vocal Quality Characteristics in Monozygotic Twins: A Multiparameter Approach

The main purpose of this study was to determine the vocal quality characteristics among the 45 monozygotic cotwins (MT). As the performance of the voice is related to several genetically determined anatomical and physiological factors, the authors hypothesized that the vocal characteristics and the overall vocal quality by means of the Dysphonia Severity Index (DSI) will be identical in MT. An additional objective of this study was to determine whether sex and age influence vocal similarities in MT and to compare the voice characteristics of MT with the normative data of unrelated peers. As more environmental factors influence the aging of the voice, age-related differences were expected. No sex-related differences were expected. Subjective and objective assessment techniques determined the vocal quality. No significant differences were obtained, and most comparisons resulted in significant correlation coefficients. For the acoustic parameters jitter and shimmer only, no significant correlation coefficients could be obtained. It is clear that the perceptual voice characteristics, the laryngeal aerodynamic measurements of maximum phonation time (MPT), the vocal performances, and the overall vocal quality by means of the DSI are similar in MT. These vocal characteristics are not influenced either by the subjects' age or sex and are situated within the normative range of unrelated peers. To what extent other aspects (environment, anxiety, tension, etc) might play a role in the acoustical dimensions regarding frequency and amplitude perturbation, which were in the normal range, is a subject of further research.     

Ultracompact high-efficiency polarizing beam splitter with a hybrid photonic crystal and conventional waveguide structure

We propose an ultracompact high-efficiency polarizing beam splitter that operates over a wide wavelength range and is based on a hybrid photonic crystal and a conventional waveguide structure. Within a small area (15 microm x 10 microm), this polarizing beam splitter separates TM- and TE-polarized modes into orthogonal output waveguides. Results of simulations with the two-dimensional finite-difference time-domain method show that 99.3% of TM-polarized light is deflected by the photonic crystal structure (with a 28.0-dB extinction ratio), whereas 99.0% of TE-polarized light propagates through the structure (with a 32.2-dB extinction ratio). Wave vector diagrams are employed to explain the operation of a polarizing beam splitter. Tolerance analysis reveals a large tolerance to fabrication errors.     

Multi-dimensional 1H-13C HETCOR and FSLG-HETCOR NMR study of sphingomyelin bilayers containing cholesterol in the gel and liquid crystalline states

(13)C cross polarization magic angle spinning (CP-MAS) and (1)H MAS NMR spectra were collected on egg sphingomyelin (SM) bilayers containing cholesterol above and below the liquid crystalline phase transition temperature (T(m)). Two-dimensional (2D) dipolar heteronuclear correlation (HETCOR) spectra were obtained on SM bilayers in the liquid crystalline (L(alpha)) state for the first time and display improved resolution and chemical shift dispersion compared to the individual (1)H and (13)C spectra and significantly aid in spectral assignment. In the gel (L(beta)) state, the (1)H dimension suffers from line broadening due to the (1)H-(1)H homonuclear dipolar coupling that is not completely averaged by the combination of lipid mobility and MAS. This line broadening is significantly suppressed by implementing frequency switched Lee-Goldburg (FSLG) homonuclear (1)H decoupling during the evolution period. In the liquid crystalline (L(alpha)) phase, no improvement in line width is observed when FSLG is employed. All of the observed resonances are assignable to cholesterol and SM environments. This study demonstrates the ability to obtain 2D heteronuclear correlation experiments in the gel state for biomembranes, expands on previous SM assignments, and presents a comprehensive (1)H/(13)C NMR assignment of SM bilayers containing cholesterol. Comparisons are made to a previous report on cholesterol chemical shifts in dimyristoylphosphatidylcholine (DMPC) bilayers. A number of similarities and some differences are observed and discussed.     

Two-dimensional vectorial photonic crystals formed in azo-dye-doped liquid crystals

A 2D, square lattice, vectorial photonic crystal is formed by vectorial holography using an azo-dye-doped liquid-crystal material. Four coherent beams are interfered to generate a highly stable, switchable polarization holography structure. The formation of the vectorial lattice by the liquid-crystal molecular orientation is confirmed by diffraction pattern and polarization microscopy analysis. Simulations of the alignment and diffraction pattern are in good agreement with the experimental results. Polarization sensitive diffraction behavior is also consistent with the Kakichashvili model.     

Frustrated polyelectrolyte bundles and T= 0 Josephson-junction arrays

We establish a one-to-one mapping between a model for hexagonal polyelectrolyte bundles and a model for two-dimensional, frustrated Josephson-junction arrays. We find that the T = 0 insulator-to-superconductor transition of the quantum system corresponds to a continuous liquid-to-solid transition of the condensed charge in the finite-temperature classical system. We find that the role of the vector potential in the quantum system is played by elastic strain in the classical system. Exploiting this correspondence we show that the transition is accompanied by a spontaneous breaking of a discrete symmetry associated with the chiral patterning of the array and that at the transition the polyelectrolyte bundle adopts a universal response to shear.     

Non-linear response of liquid crystal spatial light modulators

This technical note outlines the results of a series of experiments performed on two spatial light modulators. The two modulators were a Hughes Corporation LCLV and an optically-addressed ferroelectric liquid crystal SLM fabricated by the University of Colorado at Boulder and Displaytech. These experiments were performed to determine the modulated response of the read beam as a function of the write light intensity.     

The Uncertainty of Fluxes

In the ordinary quantum Maxwell theory of a free electromagnetic field, formulated on a curved 3-manifold, we observe that magnetic and electric fluxes cannot be simultaneously measured. This uncertainty principle reflects torsion: fluxes modulo torsion can be simultaneously measured. We also develop the Hamilton theory of self-dual fields, noting that they are quantized by Pontrjagin self-dual cohomology theories and that the quantum Hilbert space is -graded, so typically contains both bosonic and fermionic states. Significantly, these ideas apply to the Ramond-Ramond field in string theory, showing that its K-theory class cannot be measured.     

Diagnosis of suspicious breast lesions using an empirical mathematical model for dynamic contrast-enhanced MRI

The purpose of this study was to test whether an empirical mathematical model (EMM) of dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) can distinguish between benign and malignant breast lesions. A modified clinical protocol was used to improve the sampling of contrast medium uptake and washout. T(1)-weighted DCE magnetic resonance images were acquired at 1.5 T for 22 patients before and after injection of Gd-DTPA. Contrast medium concentration as a function of time was calculated over a small region of interest containing the most rapidly enhancing pixels. Then the curves were fitted with the EMM, which accurately described contrast agent uptake and washout. Results demonstrate that benign lesions had uptake (P<2.0 x 10(-5)) and washout (P<.01) rates of contrast agent significantly slower than those of malignant lesions. In addition, secondary diagnostic parameters, such as time to peak of enhancement, enhancement slope at the peak and curvature at the peak of enhancement, were derived mathematically from the EMM and expressed in terms of primary parameters. These diagnostic parameters also effectively differentiated benign from malignant lesions (P<.03). Conventional analysis of contrast medium dynamics, using a subjective classification of contrast medium kinetics in lesions as "washout," "plateau" or "persistent" (sensitivity=83%, specificity=50% and diagnostic accuracy=72%), was less effective than the EMM (sensitivity=100%, specificity=83% and diagnostic accuracy=94%) for the separation of benign and malignant lesions. In summary, the present research suggests that the EMM is a promising alternative method for evaluating DCE-MRI data with improved diagnostic accuracy.