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81.
The mechanism for the conformational conversion of 1,3-dioxane guest encapsulated inside a capsular host was theoretically investigated using semiempirical PM3 method and DFT methods. The free-state process of the conformational conversion of 1,3-dioxane was also investigated to make a comparison between the two different states using the same theory. The influences of the inner phase of the capsule on the conformational conversion of guest molecule were discussed via analyzing the comparative results. It was found that the capsular host could accommodate 1,3-dioxane within its cavity by the weak attractive interactions between host and guest, and it responds to the conformational conversion of guest by the deformation of hydrogen-bonding seam at the middle of the capsule. When entrapped in the capsule, the guest molecule undergoes the conformational conversion from chair form to twist-boat form slower than that under the free condition. The deformation of the capsule is favorable to maximize the attractive interactions between host and guest. 相似文献
82.
. Barta I. M. Silvestrova Ju. V. Pisarevskij N. A. Moiseeva L. M. Beljaew 《Crystal Research and Technology》1977,12(9):987-996
Velocities of propagation of elastic waves along principal crystallographic directions in Hg2Br2 and Hg2J2 single crystals were measured using the pulse and phase-pulse techniques. The values obtained were used to calculate the components of the elastic tensors cik and sik, as well as the phase and group velocities of propagation of longitudinal and transverse waves in the (100) and (001) planes, and the angular deviation of acoustic energy flux from the direction of the corresponding wave normal. Knowledge of the anisotropy of the elastic properties of Hg2X2 crystals and of their change with the anion (X = Cl, Br, J) leads to deeper understanding of the character of bonds in the crystal lattice and points the way to a better utilization of technical properties of the crystals. — Minimum velocity of propagation of an elastic wave falls in the case of Hg2J2 to a value v [100] [11 10] = 0,25 · 105 cm/s, what is the lowest value known among all crystals. Maximum angular deviation of acoustic energy flux — nearly 50° — is exhibited by the quasi-longitudinal wave in Hg2J2 crystals. On substituting the Cl− ions with Br− and J− ions, the anisotropy of elastic moduli C33/C11 increases by nearly 80%. Different mechanisms contribute to vectorial dependence of the elastic properties along different crystallographic directions. 相似文献
83.
This paper performs a numerical simulation of concentric-ring discharge structures within the scope of a two-dimensional diffusion--drift model at atmospheric pressure between two parallel circular electrodes covered with thin dielectric layers. With a relative high frequency the discharge structures present different appearances of ring structures within different radii in time due to the evolvement of the filaments. The spontaneous electron density distributions help understanding the formation and development of self-organized discharge structures. During a cycle the electron avalanches are triggered by the electric field strengthened by the feeding voltage and the residual charged particles on the barrier surface deposited in the previous discharges. The accumulation of charges is shown to play a dominant role in the generation and annihilation of the discharge structures. Besides, the rings split and unify to bring and annihilate rings which form a new discharge structure. 相似文献
84.
Wenjuan Ding Changbiao Chi Xiaoyi Wei Changli Sun Jiajia Tu Ming Ma Qinglian Li Jianhua Ju 《中国化学》2021,(7):1871-1877
Main observation and conclusion
The enzyme AbyU catalyses a Diels-Alder (DA) reaction during abyssomicin C biosynthesis.In this study,AbyU is shown to convert t... 相似文献
85.
Measurement-based quantum computation in an optical setup shows great promise towards the implementation oflarge-scale quantum computation. The difficulty of measurement-based quantum computation lies in the preparation ofcluster state. In this paper, we propose the method of generating the large-scale cluster state, which is a platform formeasurement-based quantum computation. In order to achieve more complex quantum circuits, the preparation protocolof N-photon cluster state will be proposed as a generalization of the preparation of four- and five-photon cluster states.Furthermore, our proposal is experimentally feasible. 相似文献
86.
Ju‐You Lu Hong Wan Jianwei Zhang Zhixuan Wang Yang Li Yongmei Du Chunying Li Prof. Zhao‐Tie Liu Prof. Zhong‐Wen Liu Prof. Jian Lu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(49):17542-17546
A palladium‐catalyzed direct C‐arylation reaction of readily available cage carboranyllithium reagents with aryl halides has been developed for the first time. This method is applicable to a wide range of aryl halide substrates including aryl iodides, aryl bromides, and heteroaromatic halides. 相似文献
87.
Shi‐jia Liu Ling Zhou Jun Zhang Chang‐yin Li Zi‐xiu Liu Wen‐zheng Ju 《Biomedical chromatography : BMC》2013,27(4):515-519
A highly sensitive liquid chromatography–tandem mass spectrometry method was developed and validated for the determination of limonin in beagle dog plasma using nimodipine as internal standard. The analyte and internal standard (IS) were extracted with ether followed by a rapid isocratic elution with 10 mm ammonium acetate buffer–methanol (26:74, v/v) on a C18 column (150 × 2.1 mm i.d.) and subsequent analysis by mass spectrometry in the multiple reaction monitoring mode. The precursor to product ion transitions of m/z 469.4 → 229.3 and m/z 417.2 → 122.0 were used to measure the analyte and the IS. The assay was linear over the concentration range of 0.625–100 ng/mL for limonin in dog plasma. The lower limit of quantification was 0.312 ng/mL and the extraction recovery was >90.4% for limonin. The inter‐ and intra‐day precision of the method at three concentrations was less than 9.9%. The method was successfully applied to pharmacokinetic study of limonin in dogs. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
88.
Yukun Feng Zhenzhen Liu Ying Peng Lunhui Zhang Ping Ju Kaishun Bi Xiaohui Chen 《Biomedical chromatography : BMC》2013,27(11):1503-1510
A simple and efficient liquid chromatography‐mass spectrometry (LC‐MS) method was developed and validated for simultaneous quantitation of catalpol and harpagide in normal and diabetic rat plasma. Protein precipitation extraction with acetonitrile was carried out using salidroside as the internal standard (IS). The LC separation was performed on an Elite C18 column (150 × 4.6 mm, 5 µm) with the mobile phase consisting of acetonitrile and water within a runtime of 12.0 min. The analytes were detected without endogenous interference in the selected ion monitoring mode with positive electrospray ionization. Calibration curves offered satisfactory linearity (r > 0.99) at linear range of 0.05–50.0 µg/mL for catalpol and 0.025–5.0 µg/mL for harpagide with the lower limits of quantitation of 0.05 and 0.025 µg/mL, respectively. Intra‐ and inter‐day precisions (RSD) were <9.4%, and accuracy (RE) was in the ?6.6 to 4.9% range. The extraction efficiencies of catalpol, harpagide and IS were all >76.5% and the matrix effects of the analytes ranged from 86.5 to 106.0%. The method was successfully applied to the pharmacokinetic study of catalpol and harpagide after oral administration of Zeng‐Ye‐Decoction to normal and diabetic rats, respectively. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
89.
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