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61.
Hao Wu RongLin Liou McCurdy A.H. 《IEEE transactions on plasma science. IEEE Nuclear and Plasma Sciences Society》1996,24(3):606-612
MAGIC, a two-and-one-half-dimensional particle-in-cell (PIC) code, has been used to investigate mode locking in closed-cavity gyrotrons. A cavity, with equally spaced modal frequencies, composed of a radially tapered section and a straight section of waveguide, is designed, built, and cold-tested. Experimental cold test results agree well with the MAGIC PIC code simulations. Using a sinusoidal current density modulation with an amplitude of 5% of the dc current and frequency of 280 MHz, the simulation results show radiation output in a train of narrow pulses (full width at half maximum ~1 us) at a 280 MHz repetition rate. Though the gyrotron does not appear to be mode locked, uniform pulse trains of 30-50 pulses can be obtained 相似文献
62.
Previous efforts to extract resonance widths by analytic continuation of stabilization graphs were limited by non-analytic behavior of the eigenvalues as functions of the stabilization parameter. We describe a procedure which avoids this difficulty by numerical analytic continuation of the characteristic polynomial, truncated to low order, of the hamiltonian matrix. 相似文献
63.
[formula: see text] The phenolic hydroxy group of opiate-derived ligands is of known importance for biological activity. On the basis of its putative role as a hydrogen-bonding donor in the interaction with opioid receptors, it was replaced with a sulfonamide group because of their similar pKa values. The first thebaine-derived 3-amino (8a, 8b) and subsequent sulfonamide analogues (10a, 10b) were synthesized from naltrexone (1a) and oxymorphone (1b) in a linear nine-step synthesis. The sulfonamides were tested in vitro and found inactive. 相似文献
64.
Mycobacterium tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase (MtDXR) is a potential target for antitubercular chemotherapy. In the absence of its crystallographic structure, our aim was
to develop a structural model of MtDXR. This will allow us to gain early insight into the structure and function of the enzyme and its likely binding to ligands
and cofactors and thus, facilitate structure-based inhibitor design. To achieve this goal, initial models of MtDXR were generated using MODELER. The best quality model was refined using a series of minimizations and molecular dynamics
simulations. A protein–ligand complex was also developed from the initial homology model of the target protein by including
information about the known ligand as spatial restraints and optimizing the mutual interactions between the ligand and the
binding site. The final model was evaluated on the basis of its ability to explain several site-directed mutagenesis data.
Furthermore, a comparison of the homology model with the X-ray structure published in the final stages of the project shows
excellent agreement and validates the approach. The knowledge gained from the current study should prove useful in the design
and development of inhibitors as potential novel therapeutic agents against tuberculosis by either de novo drug design or
virtual screening of large chemical databases.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
65.
Pradeep K. Vuppala Sai P. Boddu Edward B. Furr Christopher R. McCurdy Bonnie A. Avery 《Chromatographia》2011,74(9-10):703-710
A simple, sensitive and rapid ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) method was developed and validated for the quantification of mitragynine in rat plasma using amitriptyline hydrochloride as an internal standard. Sample preparation involved a one-step liquid?Cliquid extraction using methyl t-butyl ether. Mitragynine was separated on an Acquity UPLC? BEH HILIC column using isocratic elution with a mobile phase of 10 mM ammonium formate buffer containing 0.1% formic acid:acetonitrile (15:85, v/v). At a flow rate of 0.2 mL min?1, the retention time of mitragynine was found to be 1.3 min. Ionization was performed in the positive ion electrospray mode. The selected mass-to-charge (m/z) ratio transition of mitragynine ion [M + H]+ used in the selected ion recording (SIR) was 399.1. The calibration curve was found to be linear over a concentration range of 1?C5,000 ng mL?1 (r = 0.999) with a lower limit of quantification (LLOQ) of 1 ng mL?1. Intra- and inter-day assay variations were found to be less than 15%. The extraction recoveries ranged from 85?C93% at the three concentrations (2, 400 and 4,000 ng mL?1) in rat plasma. This method was successfully used to quantify mitragynine in rat plasma following intravenous administration of the compound. 相似文献
66.
Zhang D Gao R Afzal S Vargas M Sharma S McCurdy A Yousufuddin M Stewart T Bau R Selke M 《Organic letters》2006,8(22):5125-5128
Singlet oxygen reacts with binaphthyl phosphine derivatives such as 1,1'-binaphthyl di-tert-butyl phosphine to form the corresponding binaphthyl-2-oxide phosphine oxides. This new intramolecular arene epoxidation reaction proceeds with complete retention of stereochemistry. The binaphthyl-2-oxide di-tert-butyl phosphine oxide undergoes a slow "NIH-rearrangement" to form the corresponding hydroxylated product. A transient phosphadioxirane intermediate has been directly observed by low-temperature NMR. Kinetic analyses show that all of the phosphadioxirane intermediate is converted to product. [reaction: see text] 相似文献
67.
Venugopal N McCurdy B Al Mehairi S Alamri A Sandhu GS Sivalingam S Drachenberg D Ryner L 《Magnetic resonance imaging》2012,30(2):195-204
Visualization of short echo time (TE) metabolites in prostate magnetic resonance spectroscopic imaging is difficult due to lipid contamination and pulse timing constraints. In this work, we present a modified pulse sequence to permit short echo time (TE=40ms) acquisitions with reduced lipid contamination for the detection of short TE metabolites. The modified pulse sequence employs the conformal voxel MRS (CV-MRS) technique, which automatically optimizes the placement of spatial saturation planes to adapt the excitation volume to the shape of the prostate, thus reducing lipid contamination in prostate magnetic resonance spectroscopic imaging (MRSI). Metabolites were measured and assessed using a modified version of LCModel for analysis of in vivo prostate spectra. We demonstrate the feasibility of acquiring high quality spectra at short TEs, and show the measurement of short TE metabolites, myo-inositol, scyllo-inositol, taurine and glutamine/glutamate for both single and multi-voxel acquisitions. In single voxels experiments, the reduction in TE resulted in 57% improvement in the signal-to-noise ratio (SNR). Additional 3D MRSI experiments comparing short (TE=40 ms), and long (TE=130 ms) TE acquisitions revealed a 35% improvement in the number of adequately fitted metabolite peaks (775 voxels over all subjects). This resulted in a 42 ± 24% relative improvement in the number of voxels with detectable citrate that were well-fitted using LCmodel. In this study, we demonstrate that high quality prostate spectra can be obtained by reducing the TE to 40 ms to detect short T2 metabolites, while maintaining positive signal intensity of the spin-coupled citrate multiplet and managing lipid suppression. 相似文献
68.
D. McCurdy 《Journal of Radioanalytical and Nuclear Chemistry》2001,249(1):121-131
Even today, some Marshall Islanders are looking forward to permanentlyresettling their islands after five decades. The U.S. Department of Energyand the resettled residents require reasonable but cost-prudent assurancethat the doses to residents from residual 239Pu will not exceedrecognized international standards or recommendations, as estimated from theexcretion of 239Pu in urine. The goal of this study was to evaluatethe bias, uncertainty and sensitivity of analytical techniques that measure3–56 µBq 239Pu in synthetic urine. The analytical techniquesstudied in this work included inductively coupled plasma mass spectrometry,thermal ionization mass spectrometry and fission track analysis. The resultsof the intercomparison demonstrated that all three techniques were capableof making the measurements, although not with equal degree of bias and uncertainty.The estimated minimum detectable activity was 1 µBq of 239Puper synthetic urine sample. This exercise is also the first effort to certifytest materials of plutonium in the nBq . g –1 range. 相似文献
69.
K. G. W. Inn Zhichao Lin Zhongyu Wu C. McMahon J. J. Filliben P. Krey M. Feiner Chung-King Liu R. Holloway J. Harvey I. L. Larsen T. Beasley C. A. Huh S. Morton D. McCurdy P. Germain J. Handl M. Yamamoto B. Warren T. H. Bates A. Holms B. R. Harvey D. S. Popplewell M. J. Woods S. Jerome K. J. Odell P. Young I. Croudace 《Journal of Radioanalytical and Nuclear Chemistry》2001,248(1):227-231
In 1977, the Low-level Working Group of the International Committee on Radionuclide Metrology met in Boston, MA (USA) to define the characteristics of a new set of environmental radioactivity reference materials. These reference materials were to provide the radiochemist with the same analytical challenges faced when assaying environmental samples. It was decided that radionuclide bearing natural materials should be collected from sites where there had been sufficient time for natural processes to redistribute the various chemically different species of the radionuclides. Over the succeeding years, the National Institute of Standards and Technology (NIST), in cooperation with other highly experienced laboratories, certified and issued a number of these as low-level radioactivity Standard Reference Materials (SRMs) for fission and activation product and actinide concentrations. The experience of certifying these SRMs has given NIST the opportunity to compare radioanalytical methods and learn of their limitations. NIST convened an international workshop in 1994 to define the natural-matrix radionuclide SRM needs for ocean studies. The highest priorities proposed at the workshop were for sediment, shellfish, seaweed, fish flesh and water matrix SRMs certified for mBq per sample concentrations of 90 Sr, 137 Cs and 239 Pu + 240 Pu. The most recent low-level environmental radionuclide SRM issued by NIST, Ocean Sediment (SRM 4357) has certified and uncertified values for the following 22 radionuclides: 40 K, 90 Sr, 129 I, 137 Cs, 155 Eu, 210 Pb, 210 Po, 212 Pb, 214 Bi, 226 Ra, 228 Ra, 228 Th, 230 Th, 232 Th, 234 U, 235 U, 237 Np, 238 U, 238 Pu, 239 Pu + 240 Pu, and 241 Am. The uncertainties for a number of the certified radionuclides are non-symmetrical and relatively large because of the non-normal distribution of reported values. NIST is continuing its efforts to provide the ocean studies community with additional natural matrix radionuclide SRMs. The freeze-dried shellfish flesh matrix has been prepared and recently sent to participating laboratories for analysis and we anticipate receiving radioanalytical results in 2000. The research and development work at NIST produce well characterized SRMs that provide the world's environment-studies community with an important foundation component for radionuclide metrology. 相似文献