Dynamic range and mass accuracy of wide-scan direct infusion nanoelectrospray fourier transform ion cyclotron resonance mass spectrometry-based metabolomics increased by the spectral stitching method

Direct infusion nanoelectrospray Fourier transform ion cyclotron resonance mass spectrometry (DI nESI FT-ICR MS)offers high mass accuracy and resolution for analyzing complex metabolite mixtures. High dynamic range across a wide mass range, however, can only be achieved at the expense of mass accuracy, since the large numbers of ions entering the ICR detector induce adverse spacecharge effects. Here we report an optimized strategy for wide-scan DI nESI FT-ICR MS that increases dynamic range but maintains high mass accuracy. It comprises the collection if multiple adjacent selected ion monitoring (SIM) windows that are stitched together using novel algorithms. The final SIM-stitching method, derived from several optimization experiments, comprises 21 adjoining SIM windows each of width m/z 30 (from m/z 70 to 500; adjacent windows overlap by m/z 10) with an automated gain control (AGC) target of 1 105 charges. SIMstitching and wide-scan range (WSR; Thermo Electron)were compared using a defined standard to assess mass accuracy and a liver extract to assess peak count and dynamic range. SIM-stitching decreased the maximum mass error by 1.3- and 4.3-fold, and increased the peak count by 5.3- and 1.8-fold, versus WSR (AGC targets of 1 x 105 and 5 x 105, respectively). SIM-stitching achieved an rms mass error of 0.18 ppm and detected over 3000 peaks in liver extract. This novel approach increases metabolome coverage, has very high mass accuracy, and at 5.5 min/sample is conducive for high- throughput metabolomics

Perfectly Matched Layer in Numerical Wave Propagation: Factors that Affect its Performance

The perfectly matched layer (PML) boundary condition is generally employed to prevent spurious reflections from numerical boundaries in wave propagation methods. However, PML requires additional computational resources. We have examined the performance of the PML by changing the distribution of sampling points and the PML’s absorption profile with a view to optimizing the PML’s efficiency. We used the collocation method in our study. We found that equally spaced field sampling points give better absorption of beams under both optimal and nonoptimal conditions for low PML widths. At high PML widths, unequally spaced basis points may be equally efficient. The efficiency of various PML absorption profiles, including new ones, has been studied, and we conclude that for better numerical efficiency it is important to choose an appropriate profile

Efficient Fast-Convolution-Based Waveform Processing for 5G Physical Layer

This paper investigates the application of fast-convolution (FC) filtering schemes for flexible and effective waveform generation and processing in the fifth generation (5G) systems. FC-based filtering is presented as a generic multimode waveform processing engine while, following the progress of 5G new radio standardization in the Third-Generation Partnership Project, the main focus is on efficient generation and processing of subband-filtered cyclic prefix orthogonal frequency-division multiplexing (CP-OFDM) signals. First, a matrix model for analyzing FC filter processing responses is presented and used for designing optimized multiplexing of filtered groups of CP-OFDM physical resource blocks (PRBs) in a spectrally well-localized manner, i.e., with narrow guardbands. Subband filtering is able to suppress interference leakage between adjacent subbands, thus supporting independent waveform parametrization and different numerologies for different groups of PRBs, as well as asynchronous multiuser operation in uplink. These are central ingredients in the 5G waveform developments, particularly at sub-6-GHz bands. The FC filter optimization criterion is passband error vector magnitude minimization subject to a given subband band-limitation constraint. Optimized designs with different guardband widths, PRB group sizes, and essential design parameters are compared in terms of interference levels and implementation complexity. Finally, extensive coded 5G radio link simulation results are presented to compare the proposed approach with other subband-filtered CP-OFDM schemes and time-domain windowing methods, considering cases with different numerologies or asynchronous transmissions in adjacent subbands. Also the feasibility of using independent transmitter and receiver processing for CP-OFDM spectrum control is demonstrated

Designing Gabor windows using convex optimization

Redundant Gabor frames admit an infinite number of dual frames, yet only the canonical dual Gabor system, constructed from the minimal l2-norm dual window, is widely used. This window function however, might lack desirable properties, e.g. good time-frequency concentration, small support or smoothness. We employ convex optimization methods to design dual windows satisfying the Wexler-Raz equations and optimizing various constraints. Numerical experiments suggest that alternate dual windows with considerably improved features can be found

Axial Vector JPC=1++J^{PC}=1^{++} Charmonium and Bottomonium Hybrid Mass Predictions with QCD Sum-Rules

Axial vector $(J^{PC}=1^{++})$ charmonium and bottomonium hybrid masses are determined via QCD Laplace sum-rules. Previous sum-rule studies in this channel did not incorporate the dimension-six gluon condensate, which has been shown to be important for $1^{--}$ and $0^{-+}$ heavy quark hybrids. An updated analysis of axial vector charmonium and bottomonium hybrids is presented, including the effects of the dimension-six gluon condensate. The axial vector charmonium and bottomonium hybrid masses are predicted to be 5.13 GeV and 11.32 GeV, respectively. We discuss the implications of this result for the charmonium-like XYZ states and the charmonium hybrid multiplet structure observed in recent lattice calculations.Comment: 10 pages, 7 figures. Updated to match published versio