We report on the results of a simulation based study of the effect of various experimental artifacts for spin I=1 double quantum filtered NMR. The simulation captures the effects of static field inhomogeneity, finite pulse widths, phase errors, transients and radio frequency inhomogeneity. We simulated the spectral distortions introduced under these errors for four, eight and sixteen step phase cycles that are well known in the NMR community. The dominating pulse errors are radio frequency field inhomogeneity and antisymmetric pulse transients. These errors result in the reduction of signal intensity as well as an introduction of distortions in the detected double quantum filtered spectrum. Using the simulation tool we studied the improvement one obtains when implementing a sixteen step phase cycle over a four step phase cycle. The results indicate that implementing a sixteen step phase cycle over an eight or four step phase cycle does not result in a significant reduction in the DQF intensity loss, or reduction in spectral distortions for antisymmetric transients.
We simulate spin relaxation processes, which may be measured by either continuous wave or pulsed magnetic resonance techniques, using trajectory-based simulation methodologies. The spin–lattice relaxation rates are extracted numerically from the relaxation simulations. The rates obtained from the numerical fitting of the relaxation curves are compared to those obtained by direct simulation from the relaxation Bloch–Wangsness–Abragam– Redfield theory (BWART). We have restricted our study to anisotropic rigid-body rotational processes, and to the chemical shift anisotropy (CSA) and a single spin–spin dipolar (END) coupling mechanisms. Examples using electron paramagnetic resonance (EPR) nitroxide and nuclear magnetic resonance (NMR) deuterium quadrupolar systems are provided. The objective is to compare those rates obtained by numerical simulations with the rates obtained by BWART. There is excellent agreement between the simulated and BWART rates for a Hamiltonian describing a single spin (an electron) interacting with the bath through the chemical shift anisotropy (CSA) mechanism undergoing anisotropic rotational diffusion. In contrast, when the Hamiltonian contains both the chemical shift anisotropy (CSA) and the spin–spin dipolar (END) mechanisms, the decay rate of a single exponential fit of the simulated spin–lattice relaxation rate is up to a factor of 0.2 smaller than that predicted by BWART. When the relaxation curves are fit to a double exponential, the slow and fast rates extracted from the decay curves bound the BWART prediction. An extended BWART theory, in the literature, includes the need for multiple relaxation rates and indicates that the multiexponential decay is due to the combined effects of direct and cross-relaxation mechanisms.
Chemically informative J couplings between pairs
of quadrupolar nuclei in dimetallic and dimetalloid coordination motifs
are measured using J-resolved solid-state NMR experiments.
It is shown that the application of a double-quantum filter is necessary
to observe the J splittings and that, under these
conditions, only a simple doublet is expected. Interestingly, the
splitting is amplified if the spins are magnetically equivalent, making
it possible to measure highly precise J couplings
and unambiguously probe the symmetry of the molecule. This is demonstrated
experimentally by chemically breaking the symmetry about a pair of
boron spins by reaction with an N-heterocyclic carbene to form a β-borylation
reagent. The results show that the J coupling is
a sensitive probe of bonding in diboron compounds and that the J values quantify the weakening of the B–B bond which
occurs when forming an sp2–sp3 diboron
compound, which is relevant to their reactivity. Due to the prevalence
of quadrupolar nuclei among transition metals, this work also provides
a new approach to probe metal–metal bonding; results for Mn2(CO)10 are provided as an example.
The origin of spin locking image artifacts in the presence of B0 and B1 magnetic field imperfections is shown theoretically using the Bloch equations and experimentally at low (ω1 ≪ Δω0), intermediate (ω1 ~ Δω0) and high (ω1 ≫ Δω0) spin locking field strengths. At low spin locking fields, the magnetization is shown to oscillate about an effective field in the rotating frame causing signature banding artifacts in the image. At high spin lock fields, the effect of the resonance offset Δω0 is quenched, but imperfections in the flip angle cause oscillations about the ω1 field. A new pulse sequence is presented that consists of an integrated spin echo and spin lock experiment followed by magnetization storage along the -z-axis. It is shown that this sequence almost entirely eliminates banding artifacts from both types of field inhomogeneities at all spin locking field strengths. The sequence was used to obtain artifact free images of agarose in inhomogeneous B0 and B1 fields, off-resonance spins in fat and in vivo human brain images at 3T. The new pulse sequence can be used to probe very low frequency (0–400 Hz) dynamic and static interactions in tissues without contaminating B0 and B1 field artifacts.
spin locking; T1ρ; relaxation; off-resonance T1ρ; inhomogeneous B0 and B1 fields
A simple phase error correction technique used for field map estimation with a generally available dual-echo GRE sequence is presented. Magnetic field inhomogeneity maps estimated using two separate GRE volume acquisitions at different echo times are prone to dynamic motion errors between acquisitions. By using the dual-echo sequence the data are collected during two back-to-back readout gradients in opposite polarity after a single RF pulse, and inter-echo motion artifacts and alignment errors in field map estimation can be factored out. Residual phase error from the asymmetric readout pulses is modeled as an affine term in the readout direction. Results from phantom and human data suggest that the first order phase correction term stays constant over time and, hence, can be applied to different data acquired with the same protocol over time. The zero order phase correction term may change with time and is estimated empirically for different scans.
Field-inhomogeneity; Field map; Dual-echo; Phase correction
The double quantum coherence (DQC) echo signal for two coupled nitroxides separated by distances ≳10 Å, is calculated rigorously for the six-pulse sequence. Successive application of six pulses on the initial density matrix, with appropriate inter-pulse time evolution and coherence pathway selection leaves only the coherent pathways of interest. The amplitude of the echo signal following the last π pulse can be used to obtain a one-dimensional dipolar spectrum (Pake doublet), and the echo envelope can be used to construct the two-dimensional DQC spectrum. The calculations are carried out using the product space spanned by the two electron-spin magnetic quantum numbers m1, m2 and the two nuclear-spin magnetic quantum numbers M1, M2, describing e.g. two coupled nitroxides in bilabeled proteins. The density matrix is subjected to a cascade of unitary transformations taking into account dipolar and electron exchange interactions during each pulse and during the evolution in the absence of a pulse. The unitary transformations use the eigensystem of the effective spin-Hamiltonians obtained by numerical matrix diagonalization. Simulations are carried out for a range of dipolar interactions, D, and microwave magnetic field strength B for both fixed and random orientations of the two 14N (and 15N) nitroxides. Relaxation effects were not included. Several examples of one- and two-dimensional Fourier transforms of the time domain signals vs. dipolar evolution and spin-echo envelope time variables are shown for illustration. Comparisons are made between 1D rigorous simulations and analytical approximations. The rigorous simulations presented here provide insights into DQC ESR spectroscopy, they serve as a standard to evaluate the results of approximate theories, and they can be employed to plan future DQC experiments.
Accurate determination of sample temperatures in solid state nuclear magnetic resonance (NMR) with magic-angle spinning (MAS) can be problematic, particularly because frictional heating and heating by radio-frequency irradiation can make the internal sample temperature significantly different from the temperature outside the MAS rotor. This paper demonstrates the use of 79Br chemical shifts and spin-lattice relaxation rates in KBr powder as temperature-dependent parameters for the determination of internal sample temperatures. Advantages of this method include high signal-to-noise, proximity of the 79Br NMR frequency to that of 13C, applicability from 20 K to 320 K or higher, and simultaneity with adjustment of the MAS axis direction. We show that spin-lattice relaxation in KBr is driven by a quadrupolar mechanism. We demonstrate a simple approach to including KBr powder in hydrated samples, such as biological membrane samples, hydrated amyloid fibrils, and hydrated microcrystalline proteins, that allows direct assessment of the effects of frictional and radio-frequency heating under experimentally relevant conditions.
solid state NMR; magnetic resonance; magic-angle spinning; temperature calibration
Spin-lattice relaxation rates measured by long-pulse saturation recovery in glassy solvents for chlorinated aromatic radicals: perchlorotriphenylmethyl radical, 2,5-dichloro-3,6-dihydroxy-1,4-benzosemiquinone, and tetrachloro-1,4-benzosemiquinone, were compared with relaxation rates for non-chlorinated analogs. The impact of the quadrupolar chlorines is small, and less than the effects of changing the rigidity of the glass. The temperature dependence of relaxation rates below the glass transition temperature could be modeled as the sum of contributions from the direct, Raman, and local mode processes.
In this work, a number of important issues associated with fast spin echo (FSE) imaging of the human brain at 4.7 T are addressed. It is shown that FSE enables the acquisition of images with high resolution and good tissue contrast throughout the brain at high field strength. By employing an echo spacing (ES) of 22 ms, one can use large flip angle refocusing pulses (162°) and a low acquisition bandwidth (50 kHz) to maximize the signal-to-noise ratio (SNR). A new method of phase encode (PE) ordering (called “feathering”) designed to reduce image artifacts is described, and the contributions of RF (B1) inhomogeneity, different echo coherence pathways, and magnetization transfer (MT) to FSE signal intensity and contrast are investigated. B1 inhomogeneity is measured and its effect is shown to be relatively minor for high-field FSE, due to the self-compensating characteristics of the sequence. Thirty-four slice data sets (slice thickness = 2 mm; in-plane resolution = 0.469 mm; acquisition time = 11 min 20 s) from normal volunteers are presented, which allow visualization of brain anatomy in fine detail. This study demonstrates that high-field FSE produces images of the human brain with high spatial resolution, SNR, and tissue contrast, within currently prescribed power deposition guidelines. Magn Reson Med 51:1254-1264, 2004.
high-field FSE; feathering; T2-weighted MRI; structural MRI; high-field MR
We study driven by an external electric field quantum orbital and spin dynamics of electron in a one-dimensional double quantum dot with spin-orbit coupling. Two types of external perturbation are considered: a periodic field at the Zeeman frequency and a single half-period pulse. Spin-orbit coupling leads to a nontrivial evolution in the spin and orbital channels and to a strongly spin- dependent probability density distribution. Both the interdot tunneling and the driven motion contribute into the spin evolution. These results can be important for the design of the spin manipulation schemes in semiconductor nanostructures.
PACS numbers: 73.63.Kv,72.25.Dc,72.25.Pn
Hyperpolarized (hp) 131Xe with up to 2.2% spin polarization (i.e., 5000-fold signal enhancement at 9.4 T) was obtained after separation from the rubidium vapor of the spin-exchange optical pumping (SEOP) process. The SEOP was applied for several minutes in a stopped-flow mode, and the fast, quadrupolar-driven T1 relaxation of this spin I = 3/2 noble gas isotope required a rapid subsequent rubidium removal and swift transfer into the high magnetic field region for NMR detection. Because of the xenon density dependent 131Xe quadrupolar relaxation in the gas phase, the SEOP polarization build-up exhibits an even more pronounced dependence on xenon partial pressure than that observed in 129Xe SEOP. 131Xe is the only stable noble gas isotope with a positive gyromagnetic ratio and shows therefore a different relative phase between hp signal and thermal signal compared to all other noble gases. The gas phase 131Xe NMR spectrum displays a surface and magnetic field dependent quadrupolar splitting that was found to have additional gas pressure and gas composition dependence. The splitting was reduced by the presence of water vapor that presumably influences xenon-surface interactions. The hp 131Xe spectrum shows differential line broadening, suggesting the presence of strong adsorption sites. Beyond hp 131Xe NMR spectroscopy studies, a general equation for the high temperature, thermal spin polarization, P, for spin I⩾1/2 nuclei is presented.
131Xe; Xenon-131; Xe-131; Hyperpolarization; Hyperpolarized; Noble gases; Spin polarization; Spin-exchange optical pumping; Nuclear electric quadrupole moment; Quadrupolar relaxation; 129Xe; Nuclear magnetic resonance; Xenon-129; Krypton-83; 83Kr
The origin of image artifacts in an off-resonance spin-locking experiment is shown to be imperfections in the excitation flip angle. A pulse sequence for off-resonance spin locking is implemented that compensates for imperfections in the excitation flip angle through an off-resonance rotary echo. The off-resonance rotary echo alternates the frequency offset and phase of the RF transmitter during two spin-locking pulses of equal duration. The underlying theory is detailed, and MR images demonstrate the effectiveness of the technique in agarose gel phantoms and in in vivo human brain at 3T.
off-resonance T1ρ; spin locking; T1ρ-weighted imaging; rotary echo; T1ρ relaxation
We demonstrate experimentally and theoretically that a local excitation of a single scatterer of relative dielectric permittivity ε = 6 permits to excite broad dipolar and quadrupolar electric and magnetic resonances that shape the emission pattern in an unprecedented way. By suitably positioning the feed with respect to the sphere at a λ/3 distance, this compact antenna is able to spectrally sort the electromagnetic emission either in the forward or in the backward direction, together with a high gain in directivity. Materials with ε = 6 can be found in the whole spectrum of frequencies promising Mie antennas to become an enabling technology in numbers of applications, ranging from quantum single photon sources to telecommunications.
The anisotropic motion of tightly bound waters of hydration in bovine nuchal ligament elastin has been studied by deuterium Double Quantum Filtered (DQF) NMR. The experiments have allowed for a direct measurement of the degree of anisotropy within pores of elastin over a time scale ranging from 100 μs to 30 ms, corresponding to a tortuous spatial displacement ranging from 0.2 to 7 μm. We studied the anisotropic motion of deuterium nuclei in D2O hydrated elastin over a temperature of −15 °C to 37 °C and in solvents with varying dielectric constants. Our experimental measurements of the residual quadrupolar interaction as a function of temperature are correlated to the existing notion of hydrophobic collapse near 20 °C.
Double Quantum Filter; Quadrupolar interaction; Elastin; Nuchal Ligament; fibers; Deuterium NMR
An efficient NMR methods for the characterisation of 14N sites has been developed with efficiencies suitable for the quantitative analysis of biomolecular and natural abundance systems.
Nitrogen is one of the most abundant elements and plays a key role in the chemistry of biological systems. Despite its widespread distribution, the study of the naturally occurring isotope of nitrogen, 14N (99.6%), has been relatively limited as it is a spin-1 nucleus that typically exhibits a large quadrupolar interaction. Accordingly, most studies of nitrogen sites in biomolecules have been performed on samples enriched with 15N, limiting the application of NMR to samples which can be isotopically enriched. This precludes the analysis of naturally occurring samples and results in the loss of the wealth of structural and dynamic information that the quadrupolar interaction can provide. Recently, several experimental approaches have been developed to characterize 14N sites through their interaction with neighboring ‘spy’ nuclei. Here we describe a novel version of these experiments whereby coherence between the 14N site and the spy nucleus is mediated by the application of a moderate rf field to the 14N. The resulting 13C/14N spectra show good sensitivity on natural abundance and labeled materials; whilst the 14N lineshapes permit the quantitative analysis of the quadrupolar interaction.
Selective coherence control and electrically mediated exchange coupling of single electron spin between triplet and singlet states using numerically derived optimal control of proton pulses is demonstrated. We obtained spatial confinement below size of the Bohr radius for proton spin chain FWHM. Precise manipulation of individual spins and polarization of electron spin states are analyzed via proton induced emission and controlled population of energy shells in pure 29Si nanocrystal. Entangled quantum states of channeled proton trajectories are mapped in transverse and angular phase space of 29Si axial channel alignment in order to avoid transversal excitations. Proton density and proton energy as impact parameter functions are characterized in single particle density matrix via discretization of diagonal and nearest off-diagonal elements. We combined high field and low densities (1 MeV/92 nm) to create inseparable quantum state by superimposing the hyperpolarizationed proton spin chain with electron spin of 29Si. Quantum discretization of density of states (DOS) was performed by the Monte Carlo simulation method using numerical solutions of proton equations of motion. Distribution of gaussian coherent states is obtained by continuous modulation of individual spin phase and amplitude. Obtained results allow precise engineering and faithful mapping of spin states. This would provide the effective quantum key distribution (QKD) and transmission of quantum information over remote distances between quantum memory centers for scalable quantum communication network. Furthermore, obtained results give insights in application of channeled protons subatomic microscopy as a complete versatile scanning-probe system capable of both quantum engineering of charged particle states and characterization of quantum states below diffraction limit linear and in-depth resolution.
PACS numbers: 03.65.Ud, 03.67.Bg, 61.85.+p, 67.30.hj
During adiabatic excitation, the nuclear magnetization in the transverse plane is subject to T2 (spin-spin) relaxation, depending on the pulse length τ. Here, this property is exploited in a method of measuring T2 using the ratio of NMR signals acquired with short and long-duration self-refocusing adiabatic pulses, without spin-echoes. This Dual-τ method is implemented with B1-insensitive rotation (BIR-4) pulses. It is validated theoretically with Bloch Equation simulations independent of flip-angle, and experimentally in phantoms. Dual-τ T2 measurements are most accurate at short T2 where results agree with standard spin-echo measures to within 10% for T2 ≤ 100ms. Dual-τ MRI performed with a long 0° BIR-4 pre-pulse provides quantitative T2 imaging of phantoms and the human foot while preserving desired contrast and functional properties of the rest of the MRI sequence. A single 0° BIR-4 pre-pulse can provide T2 contrast-weighted MRI and serve as a “T2-prep” sequence with a lower B1 requirement than prior approaches. Finally, a Tri-τ experiment is introduced in which both τ and flip-angle are varied, enabling measurement of T2, T1 and signal intensity in just three acquisitions if flip-angles are well-characterized. These new methods can potentially save time and simplify relaxation measurements and/or contrast-weighted NMR and MRI.
spin-spin relaxation; measurement; adiabatic pulses; spin-lattice relaxation; MRI; T1; T2
A short echo-time (TE = 24ms) semi-adiabatic LASER sequence was designed and optimized for full intensity 1H MRS at 4T. The sequence was combined with VAPOR water suppression and three dimensional outer-volume-suppression (OVS) for improved localization and suppression of unwanted coherences. Artifact-free, single-shot spectra were obtained from the human brain with a spectral pattern almost identical to that obtained with an ultra-short echo (TE = 5ms) STEAM sequence as a result of the train of adiabatic refocusing pulses in semi-LASER that reduce the apparent TE. Approximately twofold higher signal intensity relative to STEAM was demonstrated in phantoms and the human brain. To test the performance of the sequence in clinically relevant brain regions with a volume coil, semi-LASER spectra were acquired from three cerebellar and brainstem volumes-of-interest (VOI) in 23 healthy subjects. Ultra-short echo STEAM spectra were acquired from the same VOI to compare neurochemical profiles obtained with semi-LASER to those obtained with STEAM. Neurochemical profiles of the cerebellum and brainstem acquired by these two techniques were nearly identical, validating the accuracy of the metabolite concentrations obtained with semi-LASER at the longer TE relative to STEAM. A high correlation between metabolite concentrations obtained by these two MRS techniques indicated the sensitivity to detect inter-subject variation in metabolite levels.
MRS; neurochemical profile; cerebellum; brainstem
Electron and nuclear spins are very promising candidates to serve as quantum bits (qubits) for proposed quantum computers, as the spin degrees of freedom are relatively isolated from their surroundings and can be coherently manipulated, e.g., through pulsed electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR). For solid-state spin systems, impurities in crystals based on carbon and silicon in various forms have been suggested as qubits, and very long relaxation rates have been observed in such systems. We have investigated a variety of these systems at high magnetic fields in our multifrequency pulsed EPR/ENDOR (electron nuclear double resonance) spectrometer. A high magnetic field leads to large electron spin polarizations at helium temperatures, giving rise to various phenomena that are of interest with respect to quantum computing. For example, it allows the initialization of both the electron spin as well as hyperfine-coupled nuclear spins in a well-defined state by combining millimeter and radio-frequency radiation. It can increase the T2 relaxation times by eliminating decoherence due to dipolar interaction and lead to new mechanisms for the coherent electrical readout of electron spins. We will show some examples of these and other effects in Si:P, SiC:N and nitrogen-related centers in diamond.
Graphene quantum dots are attractive candidates for solid-state quantum bits. In fact, the predicted weak spin-orbit and hyperfine interaction promise spin qubits with long coherence times. Graphene quantum dots have been extensively investigated with respect to their excitation spectrum, spin-filling sequence and electron-hole crossover. However, their relaxation dynamics remain largely unexplored. This is mainly due to challenges in device fabrication, in particular concerning the control of carrier confinement and the tunability of the tunnelling barriers, both crucial to experimentally investigate decoherence times. Here we report pulsed-gate transient current spectroscopy and relaxation time measurements of excited states in graphene quantum dots. This is achieved by an advanced device design that allows to individually tune the tunnelling barriers down to the low megahertz regime, while monitoring their asymmetry. Measuring transient currents through electronic excited states, we estimate a lower bound for charge relaxation times on the order of 60–100 ns.
The experimental investigation of relaxation times in graphene quantum dots has long been hindered by the limited tunability of these devices. Here Volk et. al. employ a device design to study this problem and report charge relaxation times of around 60–100 ns.
The construction and performance of a Ka-band pulsed electron paramagnetic resonance (EPR) cryogenic probehead that incorporates dielectric resonator (DR) is presented. We demonstrate that the use of DR allows one to optimize pulsed double electron–electron resonance (DEER) measurements utilizing large resonator bandwidth and large amplitude of the microwave field B1. In DEER measurements of Gd-based spin labels, use of this probe finally allows one to implement the potentials of Gd-based labels in distance measurements. Evidently, this DR is well suited to any applications requiring large B1-fields and resonator bandwidths, such as electron spin echo envelope modulation spectroscopy of nuclei having low magnetic moments and strong hyperfine interactions and double quantum coherence dipolar spectroscopy as was recently demonstrated in the application of a similar probe based on an loop-gap resonator and reported by Forrer et al. (J Magn Reson 190:280, 2008).
A basic requirement for quantum information processing is the ability to universally control the state of a single qubit on timescales much shorter than the coherence time. Although ultrafast optical control of a single spin has been achieved in quantum dots, scaling up such methods remains a challenge. Here we demonstrate complete control of the quantum-dot charge qubit on the picosecond scale, orders of magnitude faster than the previously measured electrically controlled charge- or spin-based qubits. We observe tunable qubit dynamics in a charge-stability diagram, in a time domain, and in a pulse amplitude space of the driven pulse. The observations are well described by Landau–Zener–Stückelberg interference. These results establish the feasibility of a full set of all-electrical single-qubit operations. Although our experiment is carried out in a solid-state architecture, the technique is independent of the physical encoding of the quantum information and has the potential for wider applications.
Universal control of the state of qubits on timescales much shorter than the coherence time is necessary for quantum computation. The authors demonstrate electrical control of a charge qubit in quantum dots on the picosecond scale, which is orders of magnitude faster than previously reported.
Hyperpolarized 13C offers high signal-to-noise ratios for imaging metabolic activity in vivo, but care must be taken when designing pulse sequences because the magnetization cannot be recovered once it has decayed. It has a short lifetime, on the order of minutes, and gets used up by each RF excitation. In this paper, we present a new dynamic chemical-shift imaging method that uses specialized RF pulses designed to maintain most of the hyperpolarized substrate while providing adequate SNR for the metabolic products. These are multiband, variable flip angle, spectral-spatial RF pulses that use spectral selectivity to minimally excite the injected prepolarized 13C-pyruvate substrate. The metabolic products of lactate and alanine are excited with a larger flip angle to increase SNR. This excitation was followed by an RF amplitude insensitive double spin-echo and an echo-planar flyback spectral-spatial readout gradient. In vivo results in rats and mice are presented showing improvements over constant flip angle RF pulses. The metabolic products are observable for a longer window because the low pyruvate flip angle preserves magnetization, allowing for improved observation of spatially varying metabolic reactions.
Spectral-spatial RF pulses; multiband RF pulses; hyperpolarization; dynamic MRSI; metabolic imaging
Pulsed electron spin resonance (ESR) dipolar spectroscopy (PDS) in combination with site-directed spin labeling is unique in providing nanometer- range distances and distributions in biological systems. To date, most of the pulsed ESR techniques require frozen solutions at cryogenic temperatures to reduce the rapid electron spin relaxation rate and to prevent averaging of electron-electron dipolar interaction due to the rapid molecular tumbling. To enable measurements in liquid solution, we are exploring a triarylmethyl (TAM)-based spin label with a relatively long relaxation time where the protein is immobilized by attachment to a solid support. In this preliminary study, TAM radicals were attached via disulfide linkages to substituted cysteine residues at positions 65 and 80 or 65 and 76 in T4 lysozyme immobilized on Sepharose. Interspin distances determined using double quantum coherence (DQC) in solution are close to those expected from models, and the narrow distance distribution in each case indicates that the TAM-based spin label is relatively localized.
Magnetically aligned bicelles were used as a model membrane to study the orientation and dynamic properties of two cannabinoids (Δ8-THC and Me-Δ8-THC) using 31P- and 2H-NMR. The uniform alignment of the bicelles allowed us to obtain well resolved deuterium spectra from a solution NMR spectrometer. The preferred orientations of Δ8-THC and Me-Δ8-THC were calculated based on the measurements of individual quadrupolar splittings. Our results agree with previous experiments using multilamellar membranes as well as with molecular dynamics simulation data described here. In conjunction with our earlier report using small and fast tumbling bicelles, the present work of well aligned bicelles shows that bicelle preparations can provide either pseudo-isotropic or anisotropic NMR spectra to study the conformation, orientation and dynamic properties of ligands in membrane bilayers. Such data are of critical value for understanding the interactions of lipophilic drug molecules with membrane proteins.