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1.
Summary This paper is concerned with the problem of developing numerical integration algorithms for differential equations that, when
viewed as equations in some Euclidean space, naturally evolve on some embedded submanifold. It is desired to construct algorithms
whose iterates also evolve on the same manifold. These algorithms can therefore be viewed as integrating ordinary differential
equations on manifolds. The basic method “decouples” the computation of flows on the submanifold from the numerical integration
process. It is shown that two classes of single-step and multistep algorithms can be posed and analyzed theoretically, using
the concept of “freezing” the coefficients of differential operators obtained from the defining vector field. Explicit third-order
algorithms are derived, with additional equations augmenting those of their classical counterparts, obtained from “obstructions”
defined by nonvanishing Lie brackets. 相似文献
2.
A Network Simulation of High-congestion Road-traffic Flows in Cities with Marine Container Terminals
James A. Pope Terry R. Rakes Loren Paul Rees Ingrid W. M. Crouch 《The Journal of the Operational Research Society》1995,46(9):1090-1101
Port cities where marine cargo terminals are located are generally near urban areas characterized by high-congestion road traffic. Changes in cargo traffic volumes into a marine terminal, or in the surrounding traffic arteries, which carry this traffic, can significantly affect the terminal's operations. Conversely, activity at the terminal can have an impact on the traffic levels and congestion for a considerable distance from the terminal. This paper demonstrates a methodology useful for studying the impact of road traffic flows on marine container terminals located in highly congested areas. This model was developed at the request of the Virginia Center for World Trade and was used to answer three planning questions in the port of Hampton Roads, Virginia, USA-what would be the impact of: opening a new section of interstate highway, a projected doubling of container traffic at one terminal, and a daily unit train in the vicinity of another terminal. The problem was made more challenging by limited data-collection funds. None the less, the model was deemed valid by a panel of traffic experts and officials from several major state and private agencies involved in marine traffic management. The model results were subsequently a factor in two major decisions related to terminal management. 相似文献
3.
Maged H. M. Sharaf Paul L. Schiff Albert N. Tackie Charles H. Phoebe Robert L. Johnson Doug Minick Ronald C. Crouch Gary E. Martin C. Webster Andrews 《Journal of heterocyclic chemistry》1996,33(3):789-797
The isolation and structure determination of cryptomisrine, a novel indolo[3,2-b]quinoline dimeric alkaloid obtained from extracts of the roots of the Ghanaian medicinal plant Cryptolepis sanguinolenta is reported. The structure determination was made via a consideration of the spectral data, including uv, ir, nmr, and mass spectra. In particular, one-dimensional proton/carbon nmr, one-dimensional nOe difference nmr, and a series of homonuclear (COSY) and inverse-detected heteronuclear two-dimensional (HMQC, HMBC) experiments were utilized, as well as high resolution FABMS. Cryptomisrine is most unusual in that its two monomeric parts apparently exist in such a C2 symmetric environment that only one set of proton and carbon nmr resonances are observed. Cryptomisrine is the first example of a dimeric indolo-[3,2-b]quinoline alkaloid to have been isolated from nature. 相似文献
4.
Inverted and suppressed direct response HMQC-TOCSY spectra - a convenient method of spectral editing
Gary E. Martin Timothy D. Spitzer Ronald C. Crouch Jiann-Kuan Luo Raymond N. Castle 《Journal of heterocyclic chemistry》1992,29(2):577-582
HMQC-TOCSY spectra provide a convenient means of establishing proton-proton connectivities in congested spectra of complex aromatic heterocycles. Advantage is taken of the greater dispersion of the 13C nmr spectrum to circumvent overlap which would preclude spectral interpretation through the usual COSY spectrum. A recently reported method for inverting direct responses (IDR) in HMQC-TOCSY spectra is demonstrated for [1]benzothieno[2,3-c]naphtho[2,1-g]quinoline. A modification of the IDR-HMQC-TOCSY method is also demonstrated which is capable of fully suppressing direct responses (SDR) without resorting to the timing of the onset of decoupling as in the original report of the HMQC-TOCSY experiment. SDR-HMQC-TOCSY has the further advantage of allowing the use of higher levels of digitization in F2 than can be attained when broadband heteronuclear decoupling is employed. 相似文献
5.
6.
Crouch R Boyer RD Johnson R Krishnamurthy K 《Magnetic resonance in chemistry : MRC》2004,42(3):301-307
Compensation of refocusing inefficiency in a gHMBC experiment by replacing the rectangular pi pulse with a pair of adiabatic pulses with synchronized inversion sweep (CRISIS) significantly improves the performance of the gHMBC experiment. The CRISIS-gHMBC experiment retains the pure absorptive shapes in F1 and hence results in better lineshape and higher resolution than the current versions of magnitude mode gHMBC spectra. When used as a broadband experiment, CRISIS-gHMBC, owing to better refocusing efficiency of the adiabatic pulse pairs, gives improved performance across the 13C spectral width. Moreover, it is shown that CRISIS-gHMBC is a robust and improved alternative and when used along with the IMPRESS (Improved Resolution using Symmetrically Shifted pulses) technique further increases the sensitivity and resolution without additional experimental time. The IMPRESS-CRISIS combination is demonstrated for broadband gHMBC and band-selective gHMBC experiments. The ICbs-gHMBC [IMPRESS-CRISIS-band-selective gHMBC] experiment is an attractive and better alternative to individual band-selective gHMBC. 相似文献
7.
Jiann-Kuan Luo Andrew S. Zektzer Raymond N. Castle Ronald C. Crouch John P. Shockcor Gary E. Martin 《Journal of heterocyclic chemistry》1993,30(2):453-460
Two novel heterocyclic ring systems, namely, [1]benzothieno[2,3-c]naphtho[1,2-f]quinoline and [1]benzothieno[2,3-c]naphtho[2,1-g]quinoline have been synthesized and characterized by inverse detected two-dimensional nmr methods. Unequivocal total assignments of the proton and carbon nmr spectra were made through the concerted utilization of HMQC (Heteronuclear Multiple Quantum Correlation) and a combination of HMBC (Heteronuclear Multiple Bond Correlation) and HMQC-TOCSY (HMQC with proton TOtal Correlation Spectroscopy). 相似文献
8.
Ronald C. Crouch Ann O. Davis Timothy D. Spitzer Gary E. Martin Maged M. H. Sharaf Paul L. Schiff Charles H. Phoebe Albert N. Tackie 《Journal of heterocyclic chemistry》1995,32(3):1077-1080
Elucidation of minor natural product structures has been significantly augmented by inverse-detection; further improvement has been afforded by the development of micro inverse-detection probes. We report here the elucidation of the structure of a new alkaloid, quindolinone (5H, 10H-indolo[3,2-b]quinolin-11-one), from the West African plant Cryptolepis sanguinolenta. All nmr data for this minor, preparative hplc-isolated alkaloid, including 1H-15N one? bond heteronuclear shift correlation (HMQC) data, were recorded on an 800 μg sample of the alkaloid dissolved in 140 μl of 100% d6-DMSO using a 400 MHz spectrometer. 相似文献
9.
Rhodopsin is the dim light photosensitive pigment of animals. In this work, we undertook to study the structure of rhodopsin from swine and compare it with bovine and rat rhodopsin. Porcine rhodopsin was analyzed using methodology developed previously for mass spectrometric analysis of integral membrane proteins. Combining efficient protein cleavage and high performance liquid chromatography separation with the sensitivity of mass spectrometry (MS), this technique allows the observation of the full protein map and the posttranslational modifications of the protein in a single experiment. The rhodopsin protein from a single porcine eye was sequenced completely, with the exception of two single-amino acid fragments and one two-amino acid fragment, and the gene sequence reported previously was confirmed. The posttranslational modifications, similar to the ones reported previously for bovine and rat rhodopsin, were also identified. Although porcine rhodopsin has a high degree of homology to bovine and rat rhodopsins and most of their posttranslational modifications are identical, the glycosylation and phosphorylation patterns observed were different. These results show that rhodopsin from a single porcine eye can be characterized completely by MS. This technology opens the possibility of rhodopsin structural and functional studies aided by powerful mass spectrometric analysis, using the fellow eye as an internal control. 相似文献
10.