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41.
ABSTRACTWe study the molecular-scale features of the solid surface that result in the spontaneous motion of a nanodroplet due to the periodic variation of temperature. We first employ a thermodynamic model to predict the variation of solid–fluid interfacial properties that can result in the above motion. The model identifies a composite (surface couple) made of two surfaces that are characterised by a large difference between the entropic parts of the solid–liquid interfacial free energies. In order to understand the molecular-scale features of the two surfaces that may form a surface couple, we performed grand canonical Monte Carlo simulations of Lennard Jones fluid and crystalline surfaces made of Lennard Jones-like atoms. We then used the cumulant expansions of the perturbation formulas to divide the interfacial entropy into two parts: The one that is directly affected by the solid–fluid attraction (direct part), and the other (indirect part) that is indirectly affected by the solid–fluid attraction via the alteration of interfacial fluctuations. Our results indicate that two surfaces form a surface couple if the differences between their chemical natures lead to large differences in the indirect part of the interfacial entropy, while the direct part remains relatively unaffected. 相似文献
42.
Xi Bai 《Molecular physics》2020,118(7)
ABSTRACTThe average magnetic moment per atom of Mn13 cluster is expected to be enhanced by doping or coating with a shell. Several ternary core–shell icosahedral clusters TM@Mn12@Au20 were constructed by combining substituting the central Mn with VIII elements (Fe, Co, Ni, Ru, Rh, Pd and Pt) and coating with a icosahedral Au20 shell, and systematically studied by using the first-principles density functional method. Compared to Mn13, Fe@Mn12@Au20 cluster shows a giant enhancement on total magnetic moment (52?µB) which can be greatly attributed to the ferromagnetic coupling between spin moments of atoms. Coating with Au20 shell enlarged the average distances of TM-Mn and Mn-Mn and is a useful way to change the magnetic coupling style. By analysis of density of states and electron localisation functional, we can conclude that the weak hybridisation between Fe and Mn in Fe@Mn12@Au20 is propitious to maintain their original direction of spin moments of atoms and then form ferromagnetic coupling. 相似文献
43.
分析学生对二氧化碳的3个典型学科认知障碍,以“二氧化碳的捕捉”为情境,通过“尝试捕捉二氧化碳”“谁在捕捉二氧化碳”“捕捉背后的原理”等3个主要环节,实现对学科认知障碍的突破,展示了一种新的中考复习教学思路。 相似文献
44.
In the conventional scheme of generating strong mechanical squeezing by the joint effect between mechanical parametric amplification and sideband cooling, the resolved sideband condition is required so as to overcome the quantum backaction heating. In the unresolved sideband regime, to suppress the quantum backaction, a χ(2) nonlinear medium is introduced to the cavity. The result shows that the quantum backaction heating effect caused by unwanted counter-rotating term can be completely removed. Hence, the strong mechanical squeezing can be obtained even for the system far from the resolved-sideband regime. 相似文献
45.
46.
Kazuki Komatsu Stefan Klotz Satoshi Nakano Shinichi Machida Takanori Hattori Asami Sano-Furukawa 《高压研究》2020,40(1):184-193
ABSTRACTA new high pressure cell for neutron diffraction experiments using nano-polycrystalline anvils is presented. The cell design, off-line pressure generation tests and a gas-loading procedure for this cell are described. The performance is illustrated by powder neutron diffraction patterns of ice VII to ~82?GPa. We also demonstrate the feasibility of single crystal neutron diffraction experiments of Fe3O4 at ambient conditions using this cell and discuss the current limitation and future developments. 相似文献
47.
Xiaofeng Zheng Xinyu Zhao Jie Huang Hao Yang Qinghui Wang Yuhang Liu Peiwei Gong Laijin Tian Hongping Xiao Zhe Liu 《应用有机金属化学》2020,34(12):e5981
The low-cost, high specific surface area and porosity, controlled pore size, and chemical properties of metal–organic framework (MOF) materials have attracted much attention in the exploration of proton conduction. The method of chemically modifying MOF structures or introducing conductive medium into the holes can effectively improve the proton conductivities of the materials. Here, the structural tunability of ionic liquid (IL) and flexible MOF (fle-MOF) materials are matched to give full play to the conductivity of IL, the framework support, and the microporous effect of MOFs, which achieves the synergistic effect of performance and expands the temperature range of proton transfer. Three kinds of CS/IL@fle-MOF membranes were prepared by combining three fle-MOFs with 1-carboxymethyl-3-methylimidazole (CMMIM) in different proportions to obtain 15 pieces of membranes. The comparative analyses show that CS/IL@fle-MOF membranes have excellent proton conduction performance at a wider temperature range (263–353 K) and lower relative humidity (75% RH). Among them, the proton conductivities of CS/CMMIM@MIL-88A-25% and CS/CMMIM@MIL-88B-125% are up to 1.33 and 1.42 S cm−1 at 75% RH and 353 K, respectively; whereas those of CS/CMMIM@MIL-53(Fe)-75% and CS/CMMIM@MIL-88B-125% reach up to 2.1 × 10−3 and 1.28 × 10−3 S cm−1 at 75% RH and 263 K, respectively. The Ea of CS/CMMIM@fle-MOFs is in the range of 0.1–0.5 eV, suggesting that the proton transport follows predominantly the typical Grotthuss transfer mechanism. The results of this study indicate that the CS/CMMIM@fle-MOF membranes combinations offer great potential for the design of composite porous proton-conducting materials. 相似文献
48.
Gustavo D. Mendes Thais da Silva Pereira Júlio César Rodrigues Elaine Marcílio Santos Mariani Rafaela Souza Rodrigo Alvaro Brandão Lopes-Martins Natalícia de Jesus Antunes Ronilson Agnaldo Moreno Gilberto De Nucci 《Biomedical chromatography : BMC》2020,34(4):e4731
To assess the bioequivalence of two zolpidem hemitartrate formulations in 30 healthy volunteers. Plasma samples were obtained over a 24 h period. Plasma concentrations of zolpidem were analyzed by liquid chromatography coupled to tandem mass spectrometry with positive ion electrospray ionization using multiple reaction monitoring. Values of peak concentration (Cmax), area under curve (AUC), half-life, elimination constant, volume of distribution and clearance showed statistically significant differences when comparing women (604.34 ng h/ml, 127.36 ng/ml, 4.4 h, 0.18 1/h, 50.56 L and 8.55 L/h, respectively) and men (276.1 ng h/ml, 70.9 ng/ml, 3.3 h, 0.26 1/h, 91.42 L and 24.34 L/h, respectively), receiving the same dose (5 mg), respectively. The geometric means with corresponding 90% confidence interval for Test/Reference percentage ratios were 99.73% (CI 93.69–106.16) for Cmax, 97.44% (90% CI = 91.85–103.37%) for area under curve of plasma concentration until the last concentration observed (AUClast) and 98.30% (90% CI = 92.48–104.49) for the area under curve between the first sample (pre-dosage) and infinity (AUC0–inf). Since the 90% CI for AUClast, AUC0–inf and Cmax ratios were within the 80–125% interval proposed by the US Food and Drug Administration, it was concluded that zolpidem hemitartrate formulation (5 mg orodispersible tablet) is bioequivalent to the zolpidem hemitartrate formulation (Patz SL 5 mg sublingual tablet) with regard to both the rate and the extent of absorption. A new formulation of zolpidem 2.5 mg may be useful in women for the same clinical benefits as the 5 mg formulation in men. 相似文献
49.
Philipp Kulas Martin Seidel Alessandro Bozzato Bernhard Schick Daniel I. Sessler Sascha Kreuer Tobias Hüppe 《Biomedical chromatography : BMC》2020,34(5):e4811
Owing to the lack of specific symptoms, diagnosis of head and neck squamous cell carcinoma (HNSCC) may be delayed. We evaluated volatile organic compounds in tumor samples from patients suffering from HNSCC and tested the hypothesis that there is a characteristic altered composition in the headspace of HNSCC compared with control samples from the same patient with normal squamous epithelium. These results provide the basis for future noninvasive breath analysis in HNSCC. Headspace air of suspected tumor and contralateral control samples in 20 patients were analyzed using ion-mobility spectrometry. Squamous cell carcinoma was diagnosed in 16 patients. In total, we observed 93 different signals in headspace measurements. Squamous cell carcinomas revealed significantly higher levels of volatile cyclohexanol (0.54 ppbv, 25th to 75th percentiles 0.35–0.86) compared with healthy squamous epithelium (0.24 ppbv, 25th to 75th percentiles 0.12–0.3; p < 0.001). In conclusion, head and neck squamous cell carcinoma emitted significantly higher levels of volatile cyclohexanol in headspace compared with normal squamous epithelium. These findings form the basis for future breath analysis for diagnosis, therapy control and the follow-up of HNSSC to improve therapy and aftercare. 相似文献
50.
Ziritaxestat is a first-in-class autotoxin inhibitor. The purpose of this study was to develop a liquid chromatography/electrospray ionization tandem mass spectrometric (LC–MS/MS) method for the determination of ziritaxestat in rat plasma. The plasma sample was deproteinated using acetonitrile and then separated on an Acquity BEH C18 column with water containing 0.1% formic acid and acetonitrile as mobile phase, which was delivered at 0.4 ml/min. Ziritaxestat and the internal standard (crizotinib) were quantitatively monitored with precursor-to-product transitions of m/z 589.3 > 262.2 and m/z 450.1 > 260.2, respectively. The total running time was 2.5 min. The method showed excellent linearity over the concentration range 0.5–2000 ng/ml, with correlation coefficient >0.9987. The extraction recovery was >82.09% and the matrix effect was not significant. Inter- and intra-day precisions (RSD) were <11.20% and accuracies were in the range of −8.50–7.45%. Ziritaxestat was demonstrated to be stable in rat plasma under the tested conditions. The validated LC–MS/MS method was successfully applied to study the pharmacokinetic profiles of ziritaxestat in rat plasma after intravenous and oral administration. Pharmacokinetic results demonstrated that ziritaxestat displayed a short half-life (~3 h) and low bioavailability (20.52%). 相似文献