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61.
Sainan Zhang Zhengcai Ju Huida Guan Lu Yu Zhengtao Wang Yuqing Zhao 《Biomedical chromatography : BMC》2019,33(11)
Notoginsenoside R1 (NGR1), a diagnostic protopanaxatriol‐type (ppt‐type) saponin in Panax notoginseng, possesses potent biological activities including antithrombotic, anti‐inflammatory, neuron protection and improvement of microcirculation, yet its pharmacokinetics and metabolic characterization as an individual compound remain unclear. The aim of this study was to investigate the exposure profile of NGR1 in rats after oral and intravenous administration and to explore the metabolic characterization of NGR1. A simple and sensitive ultra‐fast liquid chromatographic–tandem mass spectrometric method was developed and validated for the quantitative determination of NGR1 and its major metabolites, and for characterization of its metabolic profile in rat plasma. The blood samples were precipitated with methanol, quantified in a negative multiple reaction monitoring mode and analyzed within 6.0 min. Validation parameters (linearity, precision and accuracy, recovery and matrix effect, stability) were within acceptable ranges. After oral administration, NGR1 exhibited dose‐independent exposure behaviors with t1/2 over 8.0 h and oral bioavailability of 0.25–0.29%. A total of seven metabolites were characterized, including two pairs of epimers, 20(R)‐notoginsenoside R2/20(S)‐notoginsenoside R2 and 20(R)‐ginsenoside Rh1/20(S)‐ginsenoside Rh1, with the 20(R) form of saponins identified for the first time in rat plasma. Five deglycometabolites were quantitatively determined, among which 20(S)‐notoginsenoside R2, ginsenoside Rg1, ginsenoside F1 and protopanaxatriol displayed relatively high exploration, which may partly explain the pharmacodynamic diversity of ginsenosides after oral dose. 相似文献
62.
Kinetics and mechanism of nitration of aromatic compounds using trichloroisocyanuric acid (TCCA)/NaNO2, TCCA-N,N-dimethyl formamide (TCCA-DMF)/NaNO2, and TCCA-N,N-dimethyl acetamide (TCCA-DMA)/NaNO2 under acid-free and Vilsmeier-Haack conditions. Reactions followed second-order kinetics with a first-order dependence on [Phenol] and [Nitrating agent] ([TCCA], [(TCCA-DMF)], or [(TCCA-DMA)] >> [NaNO2]). Reaction rates accelerated with the introduction of electron-donating groups and retarded with electron-withdrawing groups, but did not fit well into the Hammett's theory of linear free energy relationship or its modified forms like Brown-Okamoto or Yukawa-Tsuno equations. Rate data were analyzed by Charton's multiple linear regression analysis. Isokinetic temperature (β) values, obtained from Exner's theory for different protocols, are 403.7 K (TCCA-NaNO2), 365.8 K (TCCA-DMF)/NaNO2, and 358 K (TCCA-DMA)/NaNO2. These values are far above the experimental temperature range (303-323 K), indicating that the enthalpy factors are probably more important in controlling the reaction. 相似文献
63.
Ethan M. Cunningham Alexander S. Gentleman Peter W. Beardsmore 《Molecular physics》2019,117(21):2990-3000
ABSTRACTWe present the results of a combined experimental and computational study of the structures of gas-phase M+(N2O)n (M?=?Li, Al) complexes. Infrared spectra were recorded in the region of the N2O asymmetric (N?=?N) stretch using photodissociation spectroscopy employing the inert messenger technique. Unlike in our previous studies on M+(N2O)n (M?=?Cu, Ag, Au and M?=?Co, Rh, Ir) complexes, N– and O–bound isomers in this case are near isoenergetic and are not distinguished spectroscopically at this resolution. In the case of Li+ complexes, there is, however, evidence for the presence of bound N2 moieties, indicating the presence of inserted, OLi+N2(N2O)n–type structures. The weak N2 band lies to the blue of the signature of molecularly N– and O–bound ligands and is well–reproduced in the simulated spectra of energetically low-lying structures computed from density functional theory. No such inserted isomers are observed in the case of Al+(N2O)n complexes whose infrared spectra can be understood on the basis of molecularly-bound N2O ligands. The differences in M+(N2O)n structures observed for these closed–shell, ns2, metal centres relative to other metal cations are discussed in terms of the likely bonding motifs. 相似文献
64.
In this paper, we investigate the evolution of joint invariants under invariant geometric flows using the theory of equivariant moving frames and the induced invariant discrete variational complex. For certain arc length preserving planar curve flows invariant under the special Euclidean group , the special linear group , and the semidirect group , we find that the induced evolution of the discrete curvature satisfies the differential‐difference mKdV, KdV, and Burgers' equations, respectively. These three equations are completely integrable, and we show that a recursion operator can be constructed by precomposing the characteristic operator of the curvature by a certain invariant difference operator. Finally, we derive the constraint for the integrability of the discrete curvature evolution to lift to the evolution of the discrete curve itself. 相似文献
65.
66.
S. Sidi Ahmed G. Dimitri Ngantso M. Boujnah A. Benyoussef A. El Kenz 《Physics letters. A》2019,383(2-3):121-126
By using the density functional theory (DFT) and Monte Carlo simulations (MCS) with the Heisenberg model, we have studied magnetic properties of the bulk perovskite YCrO3. The exchange couplings of the Heisenberg model and the magnetic anisotropy are investigated. The 110 direction in the crystalline structure of the compound has shown the minimum energy, it is the easy magnetic direction. Using Monte Carlo simulations, the magnetizations behavior, the effects of system parameters and the critical exponents of the compound YCrO3 are implemented. It is shown that the bulk perovskite YCrO3 belongs to the 3D Heisenberg universality class. 相似文献
67.
Mohammad Nasir Uddin Zainul Abedin Siddique Nobuyuki Mase Monir Uzzaman Wahhida Shumi 《应用有机金属化学》2019,33(6)
A number of oxotitanium(IV) complexes of the type TiOL with bis‐unsymmetric dibasic tetradentate Schiff base (LH2) containing ONNO donor atoms have been synthesized. Mono‐Schiff base (OPD‐HNP) was prepared by the condensation of 1:3 molar ratio of 2‐hydroxy‐1‐naphthaldehyde (HNP) with o‐phenylenediamine (OPD). Dibasic unsymmetric tetradentate diamine Schiff bases were prepared by the reaction of OPD‐HNP with 2‐hydroxyacetophenone, 2‐hydroxypropeophenone, benzoylacetone, acetylacetone and ethylacetoacetate. Further, titanylacetylacetonate was reacted with these ligands to obtain their metal complexes. On the basis of analytical and physiochemical data, the formation of complexes as TiOL was suggested having square pyramidal geometry. Quantum mechanical approach also confirmed this geometry. The assessment of the synthesized ligands and their complexes showed that some behave as good inhibitors of mycelial growth against selected phytopathogic fungi but weak inhibitors against some selected bacteria. A few of them also showed antioxidant properties. 相似文献
68.
69.
70.
Miguel Ballesteros Dirk-André Deckert Felix Hänle 《Journal of Functional Analysis》2019,276(8):2524-2581
We extend the method of Pizzo multiscale analysis for resonances introduced in [5] in order to infer analytic properties of resonances and eigenvalues (and their eigenprojections) as well as estimates for the localization of the spectrum of dilated Hamiltonians and norm-bounds for the corresponding resolvent operators, in neighborhoods of resonances and eigenvalues. We apply our method to the massless Spin–Boson model assuming a slight infrared regularization. We prove that the resonance and the ground-state eigenvalue (and their eigenprojections) are analytic with respect to the dilation parameter and the coupling constant. Moreover, we prove that the spectrum of the dilated Spin–Boson Hamiltonian in the neighborhood of the resonance and the ground-state eigenvalue is localized in two cones in the complex plane with vertices at the location of the resonance and the ground-state eigenvalue, respectively. Additionally, we provide norm-estimates for the resolvent of the dilated Spin–Boson Hamiltonian near the resonance and the ground-state eigenvalue. The topic of analyticity of eigenvalues and resonances has let to several studies and advances in the past. However, to the best of our knowledge, this is the first time that it is addressed from the perspective of Pizzo multiscale analysis. Once the multiscale analysis is set up our method gives easy access to analyticity: Essentially, it amounts to proving it for isolated eigenvalues only and use that uniform limits of analytic functions are analytic. The type of spectral and resolvent estimates that we prove are needed to control the time evolution including the scattering regime. The latter will be demonstrated in a forthcoming publication. The introduced multiscale method to study spectral and resolvent estimates follows its own inductive scheme and is independent (and different) from the method we apply to construct resonances. 相似文献