Physicochemical properties of nanoparticles affect translocation across pulmonary surfactant monolayer

Interaction between nanoparticles (NPs) and pulmonary surfactant monolayer is one of the most important parts in NP-based pulmonary drug delivery system, which can affect the result of the inhaled nano-drugs and their potential efficacy. Here, we show how surface charge of NPs affects translocation across pulmonary surfactant monolayer with coarse-grained molecular dynamics simulations. The results reveal that the surface charge position of NPs can determine the fate of the inhaled NPs about whether they can have the ability of translocation across the pulmonary surfactant monolayer, which is that NPs with face surface charge can penetrate the pulmonary surfactant monolayer and NPs with edge surface charge cannot. Besides, dynamic process, phase state and the potential of mean force profiles further confirm this result. Moreover, compared to anionic NPs, there is a greater chance for cationic NPs to be adsorbed on the surface of the pulmonary surfactant monolayer, which can further decrease the thickness of the pulmonary surfactant monolayer and reduce the distance between charged NPs and the pulmonary surfactant monolayer. Our researches provide a novel simulation model of NPs on translocation across pulmonary surfactant monolayer and the study of NP-based pulmonary drug delivery system should consider the surface charge of NPs.     

Theoretical studies on structure and performance of [1,2,5]‐oxadiazolo‐[3,4‐d]‐pyridazine‐based derivatives

Based on energetic compound [1,2,5]‐oxadiazolo‐[3,4‐d]‐pyridazine, a series of functionalized derivatives were designed and first reported. Afterwards, the relationship between their structure and performance was systematically explored by density functional theory at B3LYP/6‐311 g (d, p) level. Results show that the bond dissociation energies of the weakest bond (N–O bond) vary from 157.530 to 189.411 kJ · mol^?1. The bond dissociation energies of these compounds are superior to that of HMX (N–NO_2, 154.905 kJ · mol^?1). In addition, H1, H2, H4, I2, I3, C1, C2, and D1 possess high density (1.818–1.997 g · cm^?3) and good detonation performance (detonation velocities, 8.29–9.46 km · s^?1; detonation pressures, 30.87–42.12 GPa), which may be potential explosives compared with RDX (8.81 km · s^?1, 34.47 GPa ) and HMX (9.19 km · s^?1, 38.45 GPa). Finally, allowing for the explosive performance and molecular stability, three compounds may be suggested as good potential candidates for high‐energy density materials. Copyright © 2016 John Wiley & Sons, Ltd.     

高灵敏度区域中子监测仪探测效率曲线模拟

中子监测仪对不同能量中子的探测效率是其重要的性能指标,直接影响其测量值的可信度与使用效果。针对中国科学院高能物理研究所生产的高灵敏度区域中子监测仪（HANM型）,利用蒙特卡罗软件模拟其探测效率曲线,模拟结果表明该仪器探测效率随能量增加,先上升后下降,其探测效率最高值在1 MeV附近。通过改变模拟条件中的射线入射方向,对比探测效率曲线趋势变化,验证该型仪器的探测效率曲线趋势的可靠性。在此基础上,分别利用D-D,D-T加速器产生2.5 MeV和14 MeV单能中子,对探测效率曲线进行校准与验证,最终获得此型仪器的探测效率曲线。     

改进的PNJL模型下QCD的相图

Polyakov-Nambu-Jona-Lasinio（PNJL）模型是研究强相互作用物质性质的使用最为广泛的有效模型之一。在PNJL模型的基础上考虑了手征凝聚和Polyakov圈之间的纠缠作用,并且引入了化学势修正的Polyakov有效势,由此得到了化学势依赖的entangled PNJL（μEPNJL）模型。在平均场框架下的计算结果表明:相较于原始的PNJL模型,由μEPNJL模型计算得到的临界点（CEP）朝着温度更高、化学势更小处移动,并且手征对称性恢复相变和退禁闭相变在较大的化学势范围内都重合得很好。通过与STAR合作组在相对论重离子对撞机（RHIC）上进行的净质子数分布的测量结果相比,可以发现,通过适当的参数调节,由μEPNJL模型计算得到的CEP更加靠近实验预言的CEP可能存在的区域。Polyakov-Nambu-Jona-Lasinio (PNJL) model is one of the most popular effective quark models to investigate the properties of strongly interacting matter. Based on the PNJL model, we consider the entanglement interactions between the chiral condensate and Polyakov-loop, as well as the chemical potential modification of Polyakov-loop potential simultaneously, which is named μEPNJL model. Compared with the original PNJL model, the calculations in the mean field approximation show that the critical end point (CEP) given in the μEPNJL model moves towards higher temperature and smaller chemical potential in the T-μ phase diagram. Besides, the chiral symmetry restoration and deconfinement phase transition coincide well in a wide range of chemical potential. Comparing our calculations with the measurement of the moments of net-proton multiplicity distributions at Relativistic Heavy-Ion Collider (RHIC) by STAR Collaboration, we find that the CEP given by μEPNJL model can be closer to the range predicted by the experiment through appropriate parameter adjustment.     

Semi-infinite homology and 2D gravity. I

In [33], we studied the constraint problem for two-dimensional quantum gravity in the conformal gauge. In this gauge, we proposed an ansatz for the gravitational sector. Using this ansatz, we established a striking connection between the matrix models and continuum 2D gravity. We also announced several results on semi-infinite homology of the Virasoro algebra with coefficients in a suitable class of positive energy modules. In this article, we will provide details of the proof of the announced results.Supported in part by the Alfred P. Sloan FoundationSupported by NSF Grant DMS-8703581     

激光产生蒸汽羽的干涉研究

 根据拍摄1.06 μm长脉冲钕玻璃激光与LY12铝靶耦合产生蒸汽羽的干涉分幅照片，测出在t<50 μs空气冲击波速度约为473 m/s而蒸汽羽阵面扩散速度约为162 m/s。运用蒸汽羽等离子体的有关热力学特性方程组，得到蒸汽羽等离子体的电子密度、电子温度、电离度和吸收系数的最大值分别为N_e≈3.1×10¹⁷ cm^-1，T≈6 096 K，η≈0.014，α_(1.06μm)≈0.03 cm^-1的结果。     

结合空间和光谱信息的高光谱影像端元光谱自动提取

端元光谱提取是高光谱影像混合像元分解的关键。现有的端元提取方法多是仅利用了影像的光谱信息,忽略了像元间的空间相关性。现有研究基础上,提出了一种结合影像空间和光谱信息的高光谱影像端元光谱自动提取方法(integration of spatial-spectral information based endmember extraction,ISEE)。该方法首先进行影像子空间划分以增强影像局部的光谱信息特征,然后通过特征空间投影分析获得影像候选端元,最后依次在影像空间信息约束下和端元光谱信息约束下进行优化,得到最终的影像端元光谱集。仿真高光谱影像和真实高光谱影像的实验结果表明,结合影像空间和光谱信息的ISEE方法是有效的,且比一些常用方法提取的端元光谱更为准确。     

Determining the resistance of X-pinch plasma

The current and the voltage of an X-pinch were measured. The inductance of the X-pinch was assumed to be a constant and estimated by the calculation of the magnetic field based on the well-known Biot-Savart's Law. The voltage of the inductance was calculated with L · di/dt and subtracted from the measured voltage of the X-pinch. Then, the resistance of the X-pinch was determined and the following results were obtained. At the start of the current flow the resistance of the exploding wires is several tens of Ohms, one order of magnitude, higher than the metallic resistance of the wires at room temperature, and then it falls quickly to about 1 , which reflects the physical processes occurring in the electrically exploding wires, i.e., a current transition from the highly resistive wire core to the highly conductive plasma. It was shown that the inductive contribution to the voltage of the X-pinch is less than the resistive contribution. For the wires we used, the wires' material and diameter have no strong influence on the resistance of the X-pinch, which may be explained by the fact that the current flows through the plasma rather than through the metallic wire itself. As a result, the current is almost equally divided between two parallel X-pinches even though the diameter and material of the wires used for these two X-pinches are significantly different.     

129I加速器质谱分析研究

通过对129I加速器质谱(AMS)分析中影响敏度和准确度各种参数的研究,如靶电极制备、压样、靶样中辅助介质（Matrix）的选择及使用比例等,优化了用于3 MV加速器质谱仪的SO-110型离子源的条件参数,确定129I-AMS测量的最佳靶电极材料为Cu,最佳的辅助介质为Nb粉末,Nb与AgI样品的最佳体积比为3∶1。在此条件下可以获得稳定且持续的I-束流进行测量129I/127I原子比值,实验测得西安加速器质谱仪的129I/127I本底值为1.5210-14。     

Mg、B配比对MgB2材料的影响

我们通过固态反应法制备了MgxB2(x=0.2,0.6,0.8,1.0,1.2,1.4,1.8,2.2,2.6)系列超导样品.用四引线法测量了每一个样品在制备烧结过程中的高温R～T曲线.由这些曲线的升温阶段数据得知MgxB2系列样品的起始成相温度Tonset随着x值的增加而降低.由它们的X光衍射图可知,x≤1.0时,没有Mg和MgO的杂相峰;到x＞1.0后,随x值的增大,杂相Mg和MgO的衍射峰强度逐渐增强.它们的低温R～T曲线表明随x值的增加,正常态电阻减小,起始超导转变温度在39.3 K到39.9 K之间.综合Tc(onset)和△Tc,Mg1.4B2样品呈现出最好的超导状态.这些样品的单位质量M～T测量数据表明起起转变温度处于37.4～38.6 K之间,且Mg1.4B2样品呈现出最高的磁测Tc(onset)=38.60 K.在Mg含量x大于或低于1.4时,磁测Tc(onset)均小于此值.综合R～T和M～T这两种测量,为得到高Tc的MgB2超导块材,胚体MgB2的配比应取x=1.4为好.