Quantum computation based on magic-angle-spinning solid state nuclear magnetic resonance spectroscopy

Magic-angle spinning (MAS) solid state nuclear magnetic resonance (NMR) spectroscopy is shown to be a promising technique for implementing quantum computing. The theory underlying the principles of quantum computing with nuclear spin systems undergoing MAS is formulated in the framework of formalized quantum Floquet theory. The procedures for realizing state labeling, state transformation and coherence selection in Floquet space are given. It suggests that by this method, the largest number of qubits can easily surpass that achievable with other techniques. Unlike other modalities proposed for quantum computing, this method enables one to adjust the dimension of the working state space, meaning the number of qubits can be readily varied. The universality of quantum computing in Floquet space with solid state NMR is discussed and a demonstrative experimental implementation of Grover's search is given. Received 19 April 2001     

Pulsed nuclear magnetic resonance and molecular reorientation in solid 1,3,5-trifluorobenzene

Single and double-pulse transient experiments have been used for the direct measurement of the resonant and non-resonant spin contributions to the ¹H and ¹⁹F second moments in polycrystalline 1,3,5,-C₆H₃F₃. The applicability of these experiments to molecular solids is examined. The temperature dependence of the experimental proton second moment has been investigated between 130 K and the melting point at 267·7 K; a transition centred on 200 K is observed. It is shown that the molecules have an ordered arrangement in the crystal at all temperatures and that this transition is due to thermally activated reorientational jumps of the molecules through 120° about their triad axes. The activation energy for this motion is 42·7 ± 2·9 kJ mol^-1 as determined from the temperature dependence of the ‘apparent’ second moment in the transition region.     

Characterization of polyalkylvinyl ether phases by solid-state and suspended-state nuclear magnetic resonance investigations

Pure organic polyalkylvinyl ether phases were synthesized by suspension polymerization using different ratios and compositions of n-butylvinyl ether (C₄VE) and n-octadecylvinyl ether (C₁₈VE) with triethylene glycol divinyl ether or divinylbenzene as crosslinkers, respectively. These phases were investigated by means of solid-state ¹³C cross-polarization magic angle spinning nuclear magnetic resonance (NMR) spectroscopy and ¹H high-resolution magic angle spinning (HR MAS) NMR spectroscopy in suspended-state. A comparison of these two methods showed the substantial advantages of ¹H HR MAS NMR measurements. Structure elucidation was achieved using a 2D H,H-COSY NMR experiment performed under MAS conditions enabling full peak assignment of the ¹H NMR spectra of these phases. The dynamic behavior of the polyalkylvinyl ether phases was determined by employing temperature-dependent measurements of spin–lattice relaxation times (T₁) as well as accumulation of a 2D wide line separation NMR spectrum.     

Membranes,peptides, and disease: Unraveling the mechanisms of viral proteins with solid state nuclear magnetic resonance spectroscopy

The interplay between peptides and lipid bilayers drives crucial biological processes. For example, a critical step in the replication cycle of enveloped viruses is the fusion of the viral membrane and host cell endosomal membrane, and these fusion events are controlled by viral fusion peptides. Thus such membrane-interacting peptides are of considerable interest as potential pharmacological targets. Deeper insight is needed into the mechanisms by which fusion peptides and other viral peptides modulate their surrounding membrane environment, and also how the particular membrane environment modulates the structure and activity of these peptides. An important step toward understanding these processes is to characterize the structure of viral peptides in environments that are as biologically relevant as possible. Solid state nuclear magnetic resonance (ssNMR) is uniquely well suited to provide atomic level information on the structure and dynamics of both membrane-associated peptides as well as the lipid bilayer itself; further ssNMR can delineate the contribution of specific membrane components, such as cholesterol, or changing cellular conditions, such as a decrease in pH on membrane-associating peptides. This paper highlights recent advances in the study of three types of membrane associated viral peptides by ssNMR to illustrate the more general power of ssNMR in addressing important biological questions involving membrane proteins.     

扫场对核磁共振测量的影响

在连续波核磁共振实验中，通常采用低频扫场产生重复再现的共振吸收信号。当处于磁场中的射频线圈引线回路等效面积不为零时，简谐扫场必然引起该闭合回路的磁通量变化，由此而产生同频简谐感生电动势并与核磁共振信号叠加共同构成振荡器输出信号。由于扫场上升和下降过程的感生电动势方向相反，从而扫场前半周和后半周所对应的共振吸收测量信号存在差异。实验结果表明：扫场强度及方向对核磁共振测量影响来源于实验测量技术缺陷，而非核磁共振的物理本质。     

Pulsed-field gradient nuclear magnetic resonance study of transport properties of fluid catalytic cracking catalysts

Pulsed-field gradient nuclear magnetic resonance (PFG NMR) has been applied to study molecular diffusion in industrial fluid catalytic cracking (FCC) catalysts and in USY zeolite for a broad range of molecular displacements and temperatures. The results of this study have been used to elucidate the relevance of molecular transport on various displacements for the rate of molecular exchange between catalyst particles and their surroundings. It turned out that this rate, which may determine the overall rate and selectivity of FCC process, is primarily related to the diffusion mode associated with displacements larger than the size of zeolite crystals located in the particles but smaller than the size of the particles. This conclusion has been confirmed by comparative studies of the catalytic performance of different FCC catalysts.     

Impact of BaF2 detectors on nuclear solid state investigations

High resolution time differential angular correlation, now achievable at low cost by the fast and efficient BaF₂ detectors, will be introduced from some examples recently worked out. The results obtained manifest a new impetus for this technique in its extended application to particular problems in nuclear solid state research.     

Spin density description of rotational-echo double-resonance, transferred-echo double-resonance and two-dimensional transferred-echo double-resonance solid state nuclear magnetic resonance

The spin density matrix formalism has been applied to rotational-echo double-resonance (REDOR), transferred-echo double-resonance (TEDOR) and two-dimensional (2D) TEDOR experiments in order to obtain an expression for the signal intensities. TEDOR spectra of ¹⁵N-labeled glycine were measured with different dipolar evolution times. 2D-TEDOR spectra were measured of doubly labeled glycine-2-¹³C, ¹⁵N and of ¹⁵N-labeled glycine. Both the TEDOR and the 2D-TEDOR spectra were readily obtained although the 2D-TEDOR experiment on ¹⁵N-labeled glycine used a lot of machine time. Even though the ¹⁵N-1-¹³C dipolar coupling is relatively small (200 Hz), the 1-C resonance can still be observed.     

Observation of critical behaviors in squaric acid by H nuclear magnetic resonance

¹H nuclear magnetic resonance (NMR) was employed in order to investigate the phase transitions in a two-dimensional antiferroelectric system, squaric acid (H₂C₄O₄). As a result, in addition to the critical behaviors around the long range order phase transition, similar behaviors were observed at higher temperatures where a short range order phase transition presumably takes place.     

The cyclical nature of the magnetic activity

Summary The magnetic activity recorded at Base Belgrano exhibits a well-defined cyclical nature. Active and quiet periods alternatively occur, forming sequences of daily cycles of magnetic activity. Each sequence of several days forms an active period, which overlaps with the epoch of a given polarity on the interplanetary magnetic field. Within the active periods two or more subperiods lasting about 5 days are regularly observed. These are particularly striking features. They indicate that geomagnetic activity, as observed at Belgrano, intrinsically depends on the reversals of the interplanetary magnetic field.

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Riassunto L'attività magnetica registrata a Base Belgrano mostra una natura ciclica ben definita. Periodi attivi e periodi calmi si verificano alternatamente, formando sequenze di cicli giornalieri di attività magnetica. Ogni sequenza di molti giorni forma un periodo attivo, che si sovrappone con l'epoca di polarità data sul campo magnetico interplanetario. Nei periodi attivi si osservano regolarmente due o più sottoperiodi che curano circa 5 giorni e sono regolarmente osservati. Questi sono aspetti particolarmente interessanti. Essi indicano che l'attività geomagnetica, come osservata a Belgrano, dipende intrinsecamente dalle inversioni del campo magnetico interplanetario.

     

Molecular motion in the plastic phase of pivalic acid studied by nuclear magnetic resonance

Nuclear magnetic spin relaxation times T ₁, T ₂ and T _1ρ have been measured for methyl and acid protons in pivalic acid throughout the plastic crystalline phase, 6·9 to 36·5°C. T _1ρ and T ₂ of the methyl protons are interpreted in terms of translational self-diffusion of molecules. Diffusion coefficients are deduced which are in fair agreement with previous radiotracer measurements. T ₁ measurements at 10 MHz and 20·8 MHz indicate molecular reorientation and the temperature dependence of this process is investigated. T _1ρ and T ₂ measurements for the acid protons show that they move more rapidly through the lattice than the molecules. This is in agreement with previously reported tracer studies. A mechanism is proposed connecting the anomalously fast hydrogen atom diffusion and molecular reorientation, which is consistent with the N.M.R. and tracer measurements.     

A nuclear magnetic resonance study of molecular motion in solid diethylamine and in diethylamine clathrate deuterate

The proton magnetic resonance second moment and spin-lattice relaxation data are reported for the two solids namely pure diethylamine and diethylamine clathrate deuterate, over the temperature range 77 K to 270 K. The results indicate that in both materials the only motion which occurs at a rate great enough to affect the N.M.R. observables is methyl group reorientation and for such motion activation energies of (2·9₀±0·02) kcal mole^-1 and (2·3₄±0·02) kcal mole^-1 are obtained for pure diethylamine, and the deuterate, respectively. The strength of the dipolar interaction in the deuterate as estimated from both the second moment and the maximum in the temperature dependence of nuclear relaxation rate is consistent with a carbon-proton distance of 1·10 Å and a large degree of chemical exchange of the amine protons with the deuterons of D₂O.     

Nuclear magnetic resonance investigations of the structure and magnetic properties of metallic multilayers and nanocomposites

As a probe of the short-range chemical and topological order, nuclear magnetic resonance (NMR) has proved useful to investigate the nanostructure of magnetic multilayers or granular systems and, in particular, to evaluate the nature, sharp or diffuse, of interfaces in such nanocomposites. These structural aspects are shortly reviewed in the paper. A larger emphasis is given to the magnetic properties that are accessed by the technique. As a first output of an NMR experiment in ferromagnets, the hyperfine field gives a direct insight on the local magnetization. Hence, for example, one can estimate the magnetization profile at a diffuse interface between a magnetic and nonmagnetic phase. In addition, NMR can probe selectively the magnetic anisotropy or exchange energy in different parts of a composite sample. Therefore NMR is a unique tool to investigate the correlation, at a local scale, between the nanostructure and the magnetic properties of a sample. For example, one can evidence the different magnetic hardness of the interface and bulk moments in multilayers, or of the magnetic clusters and alloyed regions in nanogranular alloys. Some relevant results are presented, which have been obtained in the course of investigations of Co-based multilayers, ultrathin films and granular systems.     

77Se and125Te nuclear magnetic resonance investigations in II–VI and IV–VI compounds

The NMR signals of⁷⁷Se or¹²⁵Te have been measured in II–VI and IV–VI-compounds ZnSe, CdSe, HgSe, PbSe and ZnTe, CdTe, HgTe, PbTe relative to aqueous solutions of Na₂SeO₃ or K₂TeO₃. The chemical shifts of about ?600 ppm for⁷⁷Se and of about ?2700 ppm for¹²⁵Te have been compared with theoretical calculations. For⁷⁷Se in hexagonal CdSe an anisotropic chemical shift has been observed and for¹²⁵Te in CdTe and PbTe linesplittings have been found. The linewidths of the⁷⁷Se and¹²⁵Te NMR signals increase with the atomic number of the counterions.     

Review of nuclear magnetic resonance studies on iron-based superconductors

The newly discovered iron-based superconductors have triggered renewed enormous research interest in the condensed matter physics community. Nuclear magnetic resonance （NMR） is a low-energy local probe for studying strongly correlated electrons, and particularly important for high-Tc superconductors. In this paper, we review NMR studies on the structural transition, antiferromagnetic order, spin fluctuations, and superconducting properties of several iron-based high-Tc superconductors, including LaFeAsOl_xFx, LaFeAsOl_x, BaFe2As2, Bal_xKxFe2As2, Cao.23Nao.67Fe2As2, BaFe2（Asl_xPx）2, Ba（Fel_xRux）2As2, Ba（Fel_xCox）2As2, Lil＋xFeAs, LiFel_xCoxAs, NaFeAs, NaFel_xCoxAs, KyFe2_xSe2, and （T1,Rb）yFe2_xSe2.