1,1′-Dimethyl-1,1′-(butane-1,4-di­yl)dipyrrolidinium dibromide methanol disolvate

In the title compound, C14H30N2 2+·2Br−·2CH3OH, two terminal C atoms of the butane chain are connected to two N atoms of the 1-methyl­pyrollidines, forming a linear diquaternary ammonium cation. The cation lies across a centre of inversion located between the two central C atoms of the butane chain. The asymmetric unit therefore comprises one half-cation, a bromide anion and a methanol solvent mol­ecule. In the crystal structure, the bromide anions are linked to the methanol solvent mol­ecules by O—H⋯Br hydrogen bonds

Molecular simulation and spectroscopic studies on the interaction between perfluorohexadecanoic acid and human serum albumin

185-192In the present study, the interaction between Perfluorohexadecanoic acid (PFHxDA) and human serum albumin (HAS) was studied by fluorescence spectroscopy, molecular docking, dynamic simulation and circular dichroism (CD). The interaction character and the effect on human serum albumin conformation were measured by simulating the physiological condition (pH= 7.4). Experiments and simulation results revealed that PFHxDA molecules and HSA have regular fluorescence quenching, and the quenching mechanism is static quenching and non-radiative energy transfer. Thermodynamic analysis revealed the binding behavior was mainly governed by hydrophobic forces. Specific binding site experiments showed that the binding site of PFHxDA was a site I of HSA. The results from the CD spectrum demonstrated that PFHxDA changed the molecular conformation of HSA, which is consistent with the results obtained by molecular docking and dynamic simulation

Molecular simulation and spectroscopic studies on the interaction between perfluorohexadecanoic acid and human serum albumin

In the present study, the interaction between Perfluorohexadecanoic acid (PFHxDA) and human serum albumin (HAS) was studied by fluorescence spectroscopy, molecular docking, dynamic simulation and circular dichroism (CD). The interaction character and the effect on human serum albumin conformation were measured by simulating the physiological condition (pH= 7.4). Experiments and simulation results revealed that PFHxDA molecules and HSA have regular fluorescence quenching, and the quenching mechanism is static quenching and non-radiative energy transfer. Thermodynamic analysis revealed the binding behavior was mainly governed by hydrophobic forces. Specific binding site experiments showed that the binding site of PFHxDA was a site I of HSA. The results from the CD spectrum demonstrated that PFHxDA changed the molecular conformation of HSA, which is consistent with the results obtained by molecular docking and dynamic simulation

Optical and Gamma-Ray Variability Behaviors of 3C 454.3 from 2006 to 2011

We present our photometric monitoring of a flat spectrum radio quasar (FSRQ) 3C 454.3 at Yunnan observatories from 2006 to 2011. We find that the optical color of 3C 454.3 shows obvious redder-when-brighter trend, which reaches a saturation stage when the source is brighter than 15.15 mag at V band. We perform a simulation with multiple values of disk luminosity and spectral index to reproduce the magnitude-color diagram. The results show that the contamination caused by the disk radiation alone is difficult to produce the observed color variability. The variability properties during the outburst in December 2009 are also compared with $\gamma$-ray data derived from Fermi $\gamma$-ray space telescope. The flux variation of these two bands follow a linear relation with $F_{\gamma} \propto F_R^{1.14\pm0.07}$, which provides an observational evidence for external Compton process in 3C 454.3. Meanwhile, this flux correlation indicates that electron injection is the main mechanism for variability origin. We also explore the variation of the flux ratio $F_{\gamma}/F_R$ and the detailed structures in the lightcurves, and discuss some possible origins for the detailed variability behaviors.Comment: accepted for publication in The Astrophysical Journal, 5 figures, 2 table

The Occurrence and Speed of CMEs Related to Two Characteristic Evolution Patterns of Helicity Injection in Their Solar Source Regions

Long-term (a few days) variation of magnetic helicity injection was calculated for 28 solar active regions which produced 47 CMEs to find its relationships with the CME occurrence and speed using SOHO/MDI line-of-sight magnetograms. As a result, we found that the 47 CMEs can be categorized into two different groups by two characteristic evolution patterns of helicity injection in their source active regions which appeared for about 0.5-4.5 days before their occurrence: (1) a monotonically increasing pattern with one sign of helicity (Group A; 30 CMEs in 23 active regions) and (2) a pattern of significant helicity injection followed by its sign reversal (Group B; 17 CMEs in 5 active regions). We also found that CME speed has a correlation with average helicity injection rate with linear correlation coefficients of 0.85 and 0.63 for Group A and Group B, respectively. In addition, these two CME groups show different characteristics as follows: (1) the average CME speed of Group B (1330km/s) is much faster than that of Group A (870km/s), (2) the CMEs in Group A tend to be single events, whereas those in Group B mainly consist of successive events, and (3) flares related to the CMEs in Group B are relatively more energetic and impulsive than those in Group A. Our findings therefore suggest that the two CME groups have different pre-CME conditions in their source active regions and different CME characteristics.Comment: 25 pages, 7 figures, accepted for publication in Ap

A Bilevel Optimization Model Based on Edge Computing for Microgrid

With the continuous progress of renewable energy technology and the large-scale construction of microgrids, the architecture of power systems is becoming increasingly complex and huge. In order to achieve efficient and low-delay data processing and meet the needs of smart grid users, emerging smart energy systems are often deployed at the edge of the power grid, and edge computing modules are integrated into the microgrids system, so as to realize the cost-optimal control decision of the microgrids under the condition of load balancing. Therefore, this paper presents a bilevel optimization control model, which is divided into an upper-level optimal control module and a lower-level optimal control module. The purpose of the two-layer optimization modules is to optimize the cost of the power distribution of microgrids. The function of the upper-level optimal control module is to set decision variables for the lower-level module, while the function of the lower-level module is to find the optimal solution by mathematical methods on the basis of the upper-level and then feed back the optimal solution to the upper-layer. The upper-level and lower-level modules affect system decisions together. Finally, the feasibility of the bilevel optimization model is demonstrated by experiments

2-[(1H-Imidazol-1-yl)meth­yl]-1-[4-(trifluoro­meth­yl)phen­yl]-1H-indole

In the title compound, C19H14F3N3, the dihedral angles between the mean planes of the indole ring and the 4-CF3-phenyl and imidazole rings are 54.95 (4) and 61.36 (7)°, respectively

Testing quantum entanglement with local measurement

We propose to detect quantum entanglement by a condition of local measurments. We find that this condition can detect efficiently the pure entangled states for both discrete and continuous variable systems. It does not depend on interference of decoherence from noise and detection loss in some systems, which allows a loophole-free test in real experiments. In particular, it is a necessary condition for the violation of some generalized Bell inequalities.Comment: 5 page