A novel alkaloid,named hypodematine,was isolated from the whole plant of a fern.Htpodematium sinemse lwatsuki.Its structure has been elucidated to have a novel skeleton of benzo-azacyclooctatetraene with a phenyl subs...A novel alkaloid,named hypodematine,was isolated from the whole plant of a fern.Htpodematium sinemse lwatsuki.Its structure has been elucidated to have a novel skeleton of benzo-azacyclooctatetraene with a phenyl substituent by means of ~1H-~1H COSY.~1H-(13)C COSY.and long-range ~1H-^(13)C COSY spectroscopy.展开更多
An alkaloid with a novel structure,named Hypodematine,was isolated from Hypodematium sinense Iwatsuki(belonging to Thelypterdaceae).Its structure was elucidated by means of the ~1H-~1H COSY' ~1H-^(13)C COSY and lo...An alkaloid with a novel structure,named Hypodematine,was isolated from Hypodematium sinense Iwatsuki(belonging to Thelypterdaceae).Its structure was elucidated by means of the ~1H-~1H COSY' ~1H-^(13)C COSY and long-range ~1H-^(13)C COSY spectroscopy to have the skeleton of benzo-aza-cyclooctatetraene with a phenyl substituent.Such basic structure has not been found in the na- tural product before.展开更多
The identification of the ~1H spin system for the S-sulfonated insulin B chain was reported in a previous paper. In this note, the ~1H spin system for the S-sulfonated insulin A chain is reported based upon an absolut...The identification of the ~1H spin system for the S-sulfonated insulin B chain was reported in a previous paper. In this note, the ~1H spin system for the S-sulfonated insulin A chain is reported based upon an absolute value mode of a two dimensional correlation spectrum (2D-COSY), a phase sensitive double quantum spectrum (DQ), RELAYED-COSY (RCT) and a nuclear Overhauser 2D spectrum (NOESY).展开更多
Since the discovery of hF-GRP, several analogs have been synthesized in order to see their effects on the gonadotropin releasing activity, either as agonists or antagonists to this peptide. TF14 is one of these analog...Since the discovery of hF-GRP, several analogs have been synthesized in order to see their effects on the gonadotropin releasing activity, either as agonists or antagonists to this peptide. TF14 is one of these analogs, whose 14th position in the primary sequence is Phe instead of Asn in hF-GRP, while its activity is doubled. 2D-NMR (TOCSY, ROESY) was used to determine the conformation of TF14 in solution. Compared with hF-GRP, the whole peptide is in a non-typical more extended conformation, which may give some due to the relation between structure and function of these two peptides.展开更多
Resonance assignments of the ~1H spectrum of insulin are the basis on which to investi-gate its solution conformation by using NMR method. Owing to the complicated aggregationbehaviour of the molecule to give broadene...Resonance assignments of the ~1H spectrum of insulin are the basis on which to investi-gate its solution conformation by using NMR method. Owing to the complicated aggregationbehaviour of the molecule to give broadened n. m. r. lines, only limited resonance assignmentshave been reported. S-sulfonated A and B chains of insulin gave ~1H spectra with good reso-lutions. Based on the 500 MHz absolute 2D-COSY spectrum and 400 MHz phase sensitiveDQF-COSY, Relayed-COSY and NOESY spectra of B chain recorded in D_2O, all of thespin system identifications of the non-labile protons in the S-sulfonated B chain of insulinwere reported including the specific resonance assignments of eight residues: B_3Asn, B_9Ser,B_(16)Tyr, B_(22)Arg, B_(26)Tyr, B_(27)Thr, B_(28)Pro and B_(29)Lys. The pK values of B_(16) and B_(26) tyrosineare 10.65 and 10.60 respectively from pH titration.展开更多
One-dimensional nuclear magnetic resonance （1D NMR） logging technology is limited for fluid typing, while two-dimensional nuclear magnetic resonance （2D NMR） logging can provide more parameters including longitudi...One-dimensional nuclear magnetic resonance （1D NMR） logging technology is limited for fluid typing, while two-dimensional nuclear magnetic resonance （2D NMR） logging can provide more parameters including longitudinal relaxation time （71） and transverse relaxation time （T2） relative to fluid types in porous media. Based on the 2D NMR relaxation mechanism in a gradient magnetic field, echo train simulation and 2D NMR inversion are discussed in detail. For 2D NMR inversion, a hybrid inversion method is proposed based on the damping least squares method （LSQR） and an improved truncated singular value decomposition （TSVD） algorithm. A series of spin echoes are first simulated with multiple waiting times （Tws） in a gradient magnetic field for given fluid models and these synthesized echo trains are inverted by the hybrid method. The inversion results are consistent with given models. Moreover, the numerical simulation of various fluid models such as the gas-water, light oil-water, and vicious oil-water models were carried out with different echo spacings （TEs） and Tws by this hybrid method. Finally, the influences of different signal-to-noise ratios （SNRs） on inversion results in various fluid models are studied. The numerical simulations show that the hybrid method and optimized observation parameters are applicable to fluid typing of gas-water and oil-water models.展开更多
文摘A novel alkaloid,named hypodematine,was isolated from the whole plant of a fern.Htpodematium sinemse lwatsuki.Its structure has been elucidated to have a novel skeleton of benzo-azacyclooctatetraene with a phenyl substituent by means of ~1H-~1H COSY.~1H-(13)C COSY.and long-range ~1H-^(13)C COSY spectroscopy.
文摘An alkaloid with a novel structure,named Hypodematine,was isolated from Hypodematium sinense Iwatsuki(belonging to Thelypterdaceae).Its structure was elucidated by means of the ~1H-~1H COSY' ~1H-^(13)C COSY and long-range ~1H-^(13)C COSY spectroscopy to have the skeleton of benzo-aza-cyclooctatetraene with a phenyl substituent.Such basic structure has not been found in the na- tural product before.
基金Project supported by the National Natural Science Foundation of China, the National Institutes of Health of the U.S. and the British Royal Society.
文摘The identification of the ~1H spin system for the S-sulfonated insulin B chain was reported in a previous paper. In this note, the ~1H spin system for the S-sulfonated insulin A chain is reported based upon an absolute value mode of a two dimensional correlation spectrum (2D-COSY), a phase sensitive double quantum spectrum (DQ), RELAYED-COSY (RCT) and a nuclear Overhauser 2D spectrum (NOESY).
基金Project supported by the National Natural Science Foundation of China.
文摘Since the discovery of hF-GRP, several analogs have been synthesized in order to see their effects on the gonadotropin releasing activity, either as agonists or antagonists to this peptide. TF14 is one of these analogs, whose 14th position in the primary sequence is Phe instead of Asn in hF-GRP, while its activity is doubled. 2D-NMR (TOCSY, ROESY) was used to determine the conformation of TF14 in solution. Compared with hF-GRP, the whole peptide is in a non-typical more extended conformation, which may give some due to the relation between structure and function of these two peptides.
基金a grant (DK-34035) from the National Institutes of Health, U.S.A. and a grant (Biol-85-114) from the National Natural Science Foundation of China. The 500 MHz NMR measurements were taken in the National Institute for Medical Researc
文摘Resonance assignments of the ~1H spectrum of insulin are the basis on which to investi-gate its solution conformation by using NMR method. Owing to the complicated aggregationbehaviour of the molecule to give broadened n. m. r. lines, only limited resonance assignmentshave been reported. S-sulfonated A and B chains of insulin gave ~1H spectra with good reso-lutions. Based on the 500 MHz absolute 2D-COSY spectrum and 400 MHz phase sensitiveDQF-COSY, Relayed-COSY and NOESY spectra of B chain recorded in D_2O, all of thespin system identifications of the non-labile protons in the S-sulfonated B chain of insulinwere reported including the specific resonance assignments of eight residues: B_3Asn, B_9Ser,B_(16)Tyr, B_(22)Arg, B_(26)Tyr, B_(27)Thr, B_(28)Pro and B_(29)Lys. The pK values of B_(16) and B_(26) tyrosineare 10.65 and 10.60 respectively from pH titration.
基金sponsored by the National Natural Science Foundation of China(41172130)the Fundamental Research Funds for the Central Universities(2-9-2012-48)+1 种基金the National Major Projects(No.2011ZX05014-001)CNPC Innovation Foundation(No.2011D-5006-0305)
文摘One-dimensional nuclear magnetic resonance （1D NMR） logging technology is limited for fluid typing, while two-dimensional nuclear magnetic resonance （2D NMR） logging can provide more parameters including longitudinal relaxation time （71） and transverse relaxation time （T2） relative to fluid types in porous media. Based on the 2D NMR relaxation mechanism in a gradient magnetic field, echo train simulation and 2D NMR inversion are discussed in detail. For 2D NMR inversion, a hybrid inversion method is proposed based on the damping least squares method （LSQR） and an improved truncated singular value decomposition （TSVD） algorithm. A series of spin echoes are first simulated with multiple waiting times （Tws） in a gradient magnetic field for given fluid models and these synthesized echo trains are inverted by the hybrid method. The inversion results are consistent with given models. Moreover, the numerical simulation of various fluid models such as the gas-water, light oil-water, and vicious oil-water models were carried out with different echo spacings （TEs） and Tws by this hybrid method. Finally, the influences of different signal-to-noise ratios （SNRs） on inversion results in various fluid models are studied. The numerical simulations show that the hybrid method and optimized observation parameters are applicable to fluid typing of gas-water and oil-water models.
