Low temperature solid-state NMR experiments of half-integer quadrupolar nuclides: caveats and data analysis

Solid-state NMR spectroscopy of half-integer quadrupolar nuclides has received a lot of interest recently with the advent of new methodologies and higher magnetic fields. We present here the extension of our previous low temperature method to an 18.8T system. This new probe entailed a total redesign including a cross coil and variable capacitors that are operational at cryogenic temperatures. The limitations to sensitivity are also discussed; including a new diode network, the utilization of a cryogenic band pass filter, and the consequences of the RF profiles of the coil. Further, details of the spectroscopy of quadrupolar nuclei in a protein are discussed, such as the observation of the outer transitions and how to distinguish them from the desired +/-1/2 transition.     

Protein recognition using synthetic surface-targeted agents

The design of synthetic agents to disrupt protein-protein interactions has received relatively little attention in recent years. In this review we describe strategies for targeting different types of protein surfaces using mimetics of protein secondary or tertiary structure. In this way strong and selective binding to a protein surface has be achieved and disruption of clinically important protein-protein interactions has been demonstrated in models of human disease.     

Detection of random alterations to time-varying musical instrument spectra

The time-varying spectra of eight musical instrument sounds were randomly altered by a time-invariant process to determine how detection of spectral alteration varies with degree of alteration, instrument, musical experience, and spectral variation. Sounds were resynthesized with centroids equalized to the original sounds, with frequencies harmonically flattened, and with average spectral error levels of 8%, 16%, 24%, 32%, and 48%. Listeners were asked to discriminate the randomly altered sounds from reference sounds resynthesized from the original data. For all eight instruments, discrimination was very good for the 32% and 48% error levels, moderate for the 16% and 24% error levels, and poor for the 8% error levels. When the error levels were 16%, 24%, and 32%, the scores of musically experienced listeners were found to be significantly better than the scores of listeners with no musical experience. Also, in this same error level range, discrimination was significantly affected by the instrument tested. For error levels of 16% and 24%, discrimination scores were significantly, but negatively correlated with measures of spectral incoherence and normalized centroid deviation on unaltered instrument spectra, suggesting that the presence of dynamic spectral variations tends to increase the difficulty of detecting spectral alterations. Correlation between discrimination and a measure of spectral irregularity was comparatively low.     

Binaural weighting of monaural spectral cues for sound localization

For human listeners, cues for vertical-plane localization are provided by direction-dependent pinna filtering. This study quantified listeners' weighting of the spectral cues from each ear as a function of stimulus lateral angle, interaural time difference (ITD), and interaural level difference (ILD). Subjects indicated the apparent position of headphone-presented noise bursts synthesized in virtual auditory space. The synthesis filters for the two ears either corresponded to the same location or to two different locations separated vertically by 20 deg. Weighting of each ear's spectral information was determined by a multiple regression between the elevations to which each ear's spectrum corresponded and the vertical component of listeners' responses. The apparent horizontal source location was controlled either by choosing synthesis filters corresponding to locations on or 30 deg left or right of the median plane or by attenuating or delaying the signal at one ear. For broadband stimuli, spectral weighting and apparent lateral angle were determined primarily by ITD. Only for high-pass stimuli were weighting and lateral angle determined primarily by ILD. The results suggest that the weighting of monaural spectral cues and the perceived lateral angle of a sound source depend similarly on ITD, ILD, and stimulus spectral range.     

Gas challenge-blood oxygen level-dependent (GC-BOLD) MRI in the rat Novikoff hepatoma model

Purpose

The purpose of the study was to investigate the relationship between gas challenge-blood oxygen level-dependent (GC-BOLD) response angiogenesis and tumor size in rat Novikoff hepatoma model.

Materials and Methods

Twenty adult male Sprague-Dawley rats (weighting 301-325 g) were used for our Animal Care and Use Committee-approved experiments. N1-S1 Novikoff hepatomas were grown in 14 rats with sizes ranging from 0.42 to 2.81 cm. All experiments were performed at 3.0 T using a custom-built rodent receiver coil. A multiple gradient-echo sequence was used for R2^? measurements, first during room air (78% N₂/20% O₂) breathing and then after 10 min of carbogen (95% O₂/5% CO₂) breathing. After image acquisition, rats were euthanized, and the tumors were harvested for histological evaluation.

Results

The R2^? change between air and carbogen breathing for small hepatomas was positive; R2^? changes changed to negative values for larger hepatomas. We found a significant positive correlation between tumor R2^? change and tumor microvessel density (MVD) (r=0.798, P=.001) and a significant inverse correlation between tumor R2^? change and tumor size (r=−0.840, P<.0001).

Conclusions

GC-BOLD magnetic resonance imaging measurements are well correlated to MVD levels and tumor size in the N1-S1 Novikoff hepatoma model; GC-BOLD measurements may serve as noninvasive biomarkers for evaluating angiogenesis and disease progression and/or therapy response.     

Spectral target-detecting system using sine-wave modulation

Target detection is one of the key technology of precision chemical application.Previously the digital coding modulation technique was commonly used to emit and receive the optical signal in the target detection systems previously in China.It was difficult to adjust the output power,and the anti-interference ability was weak in these systems.In order to resolve these problems,the target detection method based on analog sine-wave modulation was studied.The spectral detecting system was set up in the aspects ...     

Engineering the work function of armchair graphene nanoribbons using strain and functional species: a first principles study

First principles density functional theory calculations were performed to study the effects of strain, edge passivation, and surface functional species on the structural and electronic properties of armchair graphene nanoribbons (AGNRs), with a particular focus on the work function. The work function was found to increase with uniaxial tensile strain and decrease with compression. The variation of the work function under strain is primarily due to the shift of the Fermi energy with strain. In addition, the relationship between the work function variation and the core level shift with strain is discussed. Distinct trends of the core level shift under tensile and compressive strain were discovered. For AGNRs with the edge carbon atoms passivated by oxygen, the work function is higher than for nanoribbons with the edge passivated by hydrogen under a moderate strain. The difference between the work functions in these two edge passivations is enlarged (reduced) under a sufficient tensile (compressive) strain. This has been correlated to a direct-indirect bandgap transition for tensile strains of about 4% and to a structural transformation for large compressive strains at about - 12%. Furthermore, the effect of the surface species decoration, such as H, F, or OH with different covering density, was investigated. It was found that the work function varies with the type and coverage of surface functional species. Decoration with F and OH increases the work function while H decreases it. The surface functional species were decorated on either one side or both sides of AGNRs. The difference in the work functions between one-sided and two-sided decorations was found to be relatively small, which may suggest an introduced surface dipole plays a minor role.     

Enhanced (13)C PFG NMR for the study of hydrodynamic dispersion in porous media

PFG NMR methods are frequently used as a means of probing both coherent and incoherent molecular motions of fluids contained within heterogeneous porous media. The time scale over which molecular displacements can be probed in a conventional PFG NMR experiment is limited by the relaxation characteristics of (1)H - the nucleus that is typically observed. In multiphase systems, due to its sensitivity to susceptibility gradients and interactions with surfaces,(1)H signal is frequently characterized by rapid T(1) and T(2) relaxation. In this work, a heteronuclear approach to PFG NMR is demonstrated which allows the study of molecular displacement over extended time scales (and, consequently, length scales) by exploiting the longer relaxation time of (13)C. The method presented employs the DEPT technique of polarization transfer in order to enhance both the sensitivity and efficiency of (13)C detection. This hybrid coherence transfer PFG technique has been used to acquire displacement propagators for flow through a bead pack with an observation time of up to 35 s.     

Simultaneous acquisition of magnetic resonance spectroscopy (MRS) data and positron emission tomography (PET) images with a prototype MR-compatible, small animal PET imager

Multi-modality imaging (such as PET-CT) is rapidly becoming a valuable tool in the diagnosis of disease and in the development of new drugs. Functional images produced with PET, fused with anatomical images created by MRI, allow the correlation of form with function. Perhaps more exciting than the combination of anatomical MRI with PET, is the melding of PET with MR spectroscopy (MRS). Thus, two aspects of physiology could be combined in novel ways to produce new insights into the physiology of normal and pathological processes. Our team is developing a system to acquire MRI images and MRS spectra, and PET images contemporaneously. The prototype MR-compatible PET system consists of two opposed detector heads (appropriate in size for small animal imaging), operating in coincidence mode with an active field-of-view of approximately 14 cm in diameter. Each detector consists of an array of LSO detector elements coupled through a 2-m long fiber optic light guide to a single position-sensitive photomultiplier tube. The use of light guides allows these magnetic field-sensitive elements of the PET imager to be positioned outside the strong magnetic field of our 3T MRI scanner. The PET scanner imager was integrated with a 12-cm diameter, 12-leg custom, birdcage coil. Simultaneous MRS spectra and PET images were successfully acquired from a multi-modality phantom consisting of a sphere filled with 17 brain relevant substances and a positron-emitting radionuclide. There were no significant changes in MRI or PET scanner performance when both were present in the MRI magnet bore. This successful initial test demonstrates the potential for using such a multi-modality to obtain complementary MRS and PET data.