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941.
942.
Recently, Nation et al. confirmed that fluxes of Hawking radiation energy and entropy from a black hole can be regarded as a one-dimensional (1D) non-equilibrium Landauer transport process. Their work can be extended to background space-times with gauge potential. The result shows that the energy flux of charged particles, which is shown to be equal to the energy–momentum tensor flux, contains not only the contribution of thermal flux but also that of particle flux. It is found that the charge can also be transported by the 1D quantum channel. Moreover, the entropy production rate is also investigated, which is shown to be larger than the case without chemical potential. 相似文献
943.
Bin Zhao 《Journal of Thermal Analysis and Calorimetry》2012,107(1):387-393
In order to study the temperature changing rule of the crude oil in the storage tank, the wavelet finite element method, the
traditional finite element method and the test were used to carry out the numerical simulation. Firstly, the thermal wavelet
finite element was put forward established based on thermal finite element theory and the wavelet theory. And the computational
model and three boundary conditions were established. And then the temperature changing rule of the crude oil in the storage
tank in 24 h for three boundary conditions was obtained by using three methods, and the results showed that the wavelet finite
element method had advantages in the numerical analysis of the temperature changing rule of the crude oil in the storage.
And then the temperature distribution rule of the crude oil in the storage tank under different conditions in 5 h was obtained.
And the temperature changing mechanism of the crude oil was summarized finally. 相似文献
944.
Yuan Hu Brad Sherborne Tai-Sung Lee David A. Case Darrin M. York Zhuyan Guo 《Journal of computer-aided molecular design》2016,30(7):533-539
In drug discovery, protonation states and tautomerization are easily overlooked. Through a Merck–Rutgers collaboration, this paper re-examined the initial settings and preparations for the Thermodynamic Integration (TI) calculation in AMBER Free-Energy Workflows, demonstrating the value of careful consideration of ligand protonation and tautomer state. Finally, promising results comparing AMBER TI and Schrödinger FEP+ are shown that should encourage others to explore the value of TI in routine Structure-based Drug Design. 相似文献
945.
Kätlin Kaare Ivar Kruusenberg Maido Merisalu Leonard Matisen Väino Sammelselg Kaido Tammeveski 《Journal of Solid State Electrochemistry》2016,20(4):921-929
Manganese phthalocyanine (MnPc) and copper phthalocyanine (CuPc)-modified electrodes were prepared using multi-walled carbon nanotubes (MWCNTs) as a support material. The catalyst materials were heat treated at four different temperatures to investigate the effect of pyrolysis on the oxygen reduction reaction (ORR) activity of these electrocatalysts. The MWCNT to metal phthalocyanine ratio was varied. Scanning electron microscopy (SEM) was employed to visualise the surface morphology of the electrodes and the x-ray photoelectron spectroscopic (XPS) study was carried out to analyse the surface composition of the most active catalyst materials. The ORR was studied in 0.1 M KOH solution employing the rotating disk electrode (RDE) method. Glassy carbon (GC) electrodes were modified with carbon nanotube-supported metal phthalocyanine catalysts using Tokuyama AS-4 ionomer. The RDE results revealed that the highest electrocatalytic activity for ORR was achieved upon heat treatment at 800 °C. CuPc-derived catalyst demonstrated lower catalytic activity as compared to the MnPc-derived counterpart, which is in good agreement with previous literature, whereas the activity of MnPc-based catalyst was higher than that reported earlier. 相似文献
946.
Fangyuan Gao Quanqing Zhang Xiuqin Li Qinghe Zhang Ting Mao Yong Lu Weibing Zhang Hongmei Li 《Accreditation and quality assurance》2016,21(6):395-401
In this study, a standard addition–isotope dilution mass spectrometry (SA-IDMS) method for quantification of endogenous progesterone in milk has been described. The method validation results, linearity, limits of detection and quantification, recovery and uncertainty were fit for the purpose of assigning reference mass fractions to proficiency testing schemes. The developed technique was compared to the isotope dilution mass spectrometry (IDMS) method already existing in the laboratory. Analytical results of two milk samples were (1.377 ± 0.048) μg/kg and (4.457 ± 0.155) μg/kg by SA-ID-LC/MS method, while the results were (1.355 ± 0.019) μg/kg and (4.359 ± 0.059) μg/kg by ID-LC/MS, respectively. Since SA-IDMS was an effective quantitative method that overcame matrix effect, similar quantitative results from IDMS and SA-IDMS indicated that the quantification of progesterone in milk was barely influenced by matrix. Both IDMS and SA-IDMS could be used to assign reference mass fractions to progesterone in milk inter-laboratory proficiency testing schemes. 相似文献
947.
948.
949.
950.
Jianhuai Ye Dr. Sayaka Hatano Prof. Dr. Manabu Abe Prof. Dr. Ryohei Kishi Yusuke Murata Prof. Dr. Masayoshi Nakano Prof. Dr. Waldemar Adam 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(7):2299-2306
In the photochemical denitrogenation of 1,4‐diaryl‐2,3‐diazabicyclo[2.2.1]heptane ( AZ6 ) bearing sterically hindered substituents, a curious new absorption band at about 450 nm was observed under low‐temperature matrix conditions, together with the previously well‐characterized planar singlet diradical pl‐1 DR6 with λmax=≈580 nm. The 450 nm species was electron paramagnetic resonance (EPR)‐silent. Instead of generating the planar diradical pl‐1 DR6 and the precursor azoalkane AZ6 upon warming, the ring‐closed bicyclo[2.1.0]pentane derivative SB6 , that is, the AZ6 denitrogenation product was identified. Based on product analysis, low‐temperature spectroscopic observations, high‐level quantum‐mechanical computations, viscosity effect, and laser‐flash photolysis, the puckered singlet diradicaloid puc‐1 DR6 was assigned to the new 450 nm absorption. The latter was detected experimentally at the same time as the planar singlet diradical pl‐1 DR6 . Sterically demanding substituents as well as viscosity impediments were essential for the detection of the experimentally hitherto unknown puckered singlet cyclopentane‐1,3‐diyl diradicaloid puc‐1 DR6 , that is, the third isomer in homolysis. The present findings should stimulate future work on the mechanistically fascinating stereoselectivity documented in the formation of bicyclo[2.1.0]pentanes during the 2,3‐diazabicyclo[2.2.1]heptane denitrogenation. 相似文献