Nonlinear phase adjustment of selective excitation pulses

A continuous transformation of an RF waveform with a modified Korteweg-de Vries equation or generalization can be used to adjust the phase behavior of a selective excitation pulse while preserving the magnitude behavior of the spin response. This transformation has applications in removing or adding to the nonlinear phase properties of a selected region.     

In phase selective excitation of overlapping multiplets by gradient-enhanced chemical shift selective filters

We have developed gradient-enhanced chemical shift selective filters (ge-CSSF) for inphase excitation of overlapping multiplets 1H. This method relies on the constructive addition of on resonance signal while off resonance magnetization is eliminated by destructive interference due to variable chemical shift evolution. This is achieved by co-addition of several FIDs acquired with a gradually incremented chemical shift evolution period. Two variable-time and one constant-time ge-CSSFs are proposed that can be combined with TOCSY, NOESY, and ROESY mixing schemes yielding highly selective 1D experiments. Analytical and numerical expressions are derived to calculate the excitation profiles of the ge-CSSFs and to examine the effects of spin-spin relaxation, the length of the CSSF increment, and selective inversion pulses. We demonstrate, both theoretically and experimentally, that CSSFs yield fast signal separation for compounds with a range of spin-spin relaxation times and chemical shift differences as small as 1-2 Hz. The use of pulsed field gradients ensures that very clean spectra are obtained. The main application of these techniques lies in analysis of mixtures where severe spectral overlap prevents the use of simple 1D selective methods.     

双激励纵弯耦合宽带复合棒水声换能器

为研究进一步拓宽双激励复合棒水声换能器的工作带宽方法。利用等效电路法和有限元方法研究了双激励换能器的振动模态,分析了中间质量块的材料、长度对换能器发射电压响应的影响,提出结合较低工作频段的纵向振动和较高工作频段的纵向振动与径向振动耦合引起的弯曲振动进一步展宽带工作频带的方法。根据优化参数后的仿真模型制作的样品工作频带为14 kHz～47 kHz。采用这种纵弯振动模态耦合的方法可以有效拓宽双激励宽复合棒换能器的工作带宽。     

Extending the excitation sculpting concept for selective excitation

Nowadays, excitation sculpting is probably the most efficient way to achieve selectivity in an NMR experiment, since it associates very clean frequency selection with "user-friendliness." In the present report, it is shown that the excitation sculpting concept, originally based on a double pulse field gradient echo acting on a selected transverse magnetization, can be extended through new experiments designed to act on longitudinal magnetization. This leads to outstanding performances, especially when the transverse relaxation rate is a limiting factor as, for example, in the case of biological macromolecules. Several new sequences are proposed, aiming at the selection of magnetization aligned either/both on a transverse axis or/and on the z-axis. Their potentialities are illustrated in light of different applications including multiplet-selective excitation, band-selective excitation, and water suppression.     

Instabilities of uniform filtration flows with phase transition

New mechanisms of instability are described for vertical flows with phase transition through horizontally extended two-dimensional regions of a porous medium. A plane surface of phase transition becomes unstable at an infinitely large wavenumber and at zero wavenumber. In the latter case, the unstable flow undergoes reversible subcritical bifurcations leading to the development of secondary flows (which may not be horizontally uniform). The evolution of subcritical modes near the instability threshold is governed by the Kolmogorov-Petrovskii-Piskunov equation. Two examples of flow through a porous medium are considered. One is the unstable flow across a water-bearing layer above a layer that carries a vapor-air mixture under isothermal conditions in the presence of capillary forces at the phase transition interface. The other is the vertical flow with phase transition in a high-temperature geothermal reservoir consisting of two high-permeability regions separated by a low-permeability stratum.     

Exploring the limits of broadband excitation and inversion pulses

The design of broadband excitation and inversion pulses with compensation of B(1)-field inhomogeneity is a long standing goal in high resolution NMR spectroscopy. Most optimization procedures used so far have been restricted to particular pulse families to keep the scale of the problem within manageable limits. This restriction is unnecessary using efficient numerical algorithms based on optimal control theory. A systematic study of rf-limited broadband excitation by optimized pulses and broadband inversion by optimized pulses with respect to bandwidth and B(1)-field is presented. Upper limits on minimum pulse lengths are set for different degrees of pulse performance.     

In-phase selective excitation of overlapping multiplets

An editing experiment is presented that selects for a peak on the basis of its chemical shift and that of one of its scalar coupling partners. The selected multiplet is pure in-phase. The editing procedure can be used in conjunction with 1D TOCSY/HOHAHA and NOE measurements. The pulse sequence described is particularly suitable for small molecules; data is presented for Gramicidin S and dehydrotestosterone.     

Pure-phase selective excitation in fast-relaxing systems

Selective pulses have been used frequently for small molecules. However, their application to proteins and other macromolecules has been limited. The long duration of shaped-selective pulses and the short T(2) relaxation times in proteins often prohibited the use of highly selective pulses especially on larger biomolecules. A very selective excitation can be obtained within a short time by using the selective excitation sequence presented in this paper. Instead of using a shaped low-intensity radiofrequency pulse, a cluster of hard 90 degrees pulses, delays of free precession, and pulsed field gradients can be used to selectively excite a narrow chemical shift range within a relatively short time. Thereby, off-resonance magnetization, which is allowed to evolve freely during the free precession intervals, is destroyed by the gradient pulses. Off-resonance excitation artifacts can be removed by random variation of the interpulse delays. This leads to an excitation profile with selectivity as well as phase and relaxation behavior superior to that of commonly used shaped-selective pulses. Since the evolution of scalar coupling is inherently suppressed during the double-selective excitation of two different scalar-coupled nuclei, the presented pulse cluster is especially suited for simultaneous highly selective excitation of N-H and C-H fragments. Experimental examples are demonstrated on hen egg white lysozyme (14 kD) and the bacterial antidote ParD (19 kD).     

含螺旋单元频率选择表面的宽频带强吸收复合吸波体

设计和制备了含螺旋单元频率选择表面吸波片的三层复合吸波体,上层和下层均为磁性吸波片,中间层为带缺口的螺旋单元频率选择表面.复合吸波体在总厚度分别为1.4,1.7和2.0 mm时,其反射率在-10d B以下的频带宽度分别达到了9.29,6.69和7.11 GHz,与不含有频率选择表面的吸波体相比较(其他参数相同),-10d B以下反射率带宽分别提高了159.5%,69.3%和129.4%,复合吸波体在总厚度低于吸波体时,也取得了更好的反射效果.带缺口圆螺旋单元的频率选择表面嵌入吸波体中,引入了额外的吸收频带,拓宽了吸波体的反射率频带宽度.仿真分析表明嵌入频率选择表面能够改善吸波体的阻抗匹配性,进而影响其反射率.     

Reducing the duration of broadband excitation pulses using optimal control with limited RF amplitude

Combining optimal control theory with a new RF limiting step produces pulses with significantly reduced duration and improved performance for a given maximum RF amplitude compared to previous broadband excitation by optimized pulses (BEBOP). The resulting pulses tolerate variations in RF homogeneity relevant for standard high-resolution NMR probes. Design criteria were transformation of Iz-->Ix over resonance offsets of +/-20kHz and RF variability of +/-5%, with a pulse length of 500 micros and peak RF amplitude equal to 17.5 kHz. Simulations transform Iz to greater than 0.995 Ix, with phase deviations of the final magnetization less than 2 degrees, over ranges of resonance offset and RF variability that exceed the design targets. Experimental performance of the pulse is in excellent agreement with the simulations. Performance tradeoffs for yet shorter pulses or pulses with decreased digitization are also investigated.     

High-order mode of polymeric waveguide selective excitation

Conditions for the selective excitation of multimode waveguide high-order modes by power trans-formation of fundamental modes of a tunnel connected waveguide are calculated. It is shown that the power conversion factor can reach 100% under phase-matching conditions, which can be satisfied by the selection of a second waveguide refractive index.     

Photoluminescence of Si nanocrystals under selective excitation

Photoluminescence of Si nanocrystals passivated by different alkanes (hexane, octane, and tridecane) was studied at room temperature. It is shown that the emission band shape is not affected by the length of the carbon chain in the alkanes used for passivation. A pronounced fine structure of the photoluminescence band consisting of peaks separated by 150-160 meV was observed under resonant excitation. The structure is interpreted by predominant contribution from Si nanocrystal groups with particular stable size/shape existing in addition to the previously reported nanocrystals with “magic” numbers of Si atoms. The contribution of these stable nanocrystals is revealed using selective resonant photoexcitation to the higher energy states in the discrete energy spectrum of such nanocrystals.     

Tailoring the optimal control cost function to a desired output: application to minimizing phase errors in short broadband excitation pulses

The de facto standard cost function has been used heretofore to characterize the performance of pulses designed using optimal control theory. The freedom to choose new, creative quality factors designed for specific purposes is demonstrated. While the methodology has more general applicability, its utility is illustrated by comparison to a consistently chosen example--broadband excitation. The resulting pulses are limited to the same maximum RF amplitude used previously and tolerate the same variation in RF homogeneity deemed relevant for standard high-resolution NMR probes. Design criteria are unchanged: transformation of I(z)--> I(x) over resonance offsets of +/-20 kHz and RF variability of +/-5%, with a peak RF amplitude equal to 17.5 kHz. However, the new cost effectively trades a small increase in residual z magnetization for improved phase in the transverse plane. Compared to previous broadband excitation by optimized pulses (BEBOP), significantly shorter pulses are achievable, with only marginally reduced performance. Simulations transform I(z) to greater than 0.98 I(x), with phase deviations of the final magnetization less than 2 degrees, over the targeted ranges of resonance offset and RF variability. Experimental performance is in excellent agreement with the simulations.     

Fiber interferometer for simultaneous multiwavelength phase measurement with a broadband femtosecond laser

We present a fiber interferometer for the simultaneous measurement of phase at multiple wavelengths from a single broadband femtosecond laser. Narrow-bandwidth fiber Bragg gratings isolate a particular frequency from the broad-bandwidth laser pulse produced. The multiwavelength phase data permit the unambiguous measurement range to be significantly increased compared with the wavelengths used in the interferometer. Preliminary experimental results are presented for a two-frequency sensor with an absolute range of 0.13 mm and associated dynamic range of 43,000:1.