Thermodynamic parameters for the complexation of water‐insoluble betulin derivatives with (2‐hydroxypropyl)‐γ‐cyclodextrin determined by phase‐solubility technique combined with capillary zone electrophoresis

The complexation of betulinic and betulonic acids (BIA and BOA) (pentacyclic lupane triterpenoids) with (2‐hydroxypropyl)‐γ‐cyclodextrin (HP‐γ‐CD) was studied at different temperatures using the method combining phase‐solubility technique and CZE. In contrast to mobility shift ACE utilizing the electrophoretic mobility, in this approach, the peak areas are used. The apparent binding (stability, formation) constants are obtained by the Higuchi and Connors method from the linear segment of compound solubility diagrams in CD solutions. It was found that the apparent binding constants of the HP‐γ‐CD complexes of BIA and BOA decrease with increasing temperature. The binding constants of BOA complexes are slightly higher than those of BIA complexes; this can be explained by difference in the hydration degrees of carbonyl and hydroxyl groups. On the basis of the binding constants obtained and their temperature dependences (van't Hoff plot), the enthalpy as well as entropy changes and Gibbs free energies were calculated. It was found that the complexation was characterized by negative changes of enthalpy and entropy, that is, it was controlled by enthalpy changes. The results obtained can be used for the optimization of microcapsulation processes of BOA and BIA with the HP‐γ‐CD application in order to increase solubility and bioavailability of these compounds.     

基于气象卫星云图的红外吸收带火山特征分析

飞行目标在2.7和4.3 μm谱段附近具有较强的红外辐射，因此这两个波段是探测飞行目标的最佳波段, 但是由于这两个波段并非大气窗口，不被大多数遥感器包含。对这两个谱段的典型地物特性开展研究具有重要的价值，但由于缺乏必要的数据获取能力，经常面临数据缺乏的问题。世界范围内频频有各种程度的火山爆发，火山爆发时温度较高的火山口，是否对于天基红外探测系统典型目标探测有影响，其影响程度如何一直缺乏相关的分析和研究。基于大气辐射传输理论，利用多元统计分析得到波段转换模型，使用气象卫星已有波段获得红外吸收谱段数据。将火点像元视为明火和背景的混合像元，采用目标与背景分离的方式描述高温目标像元的热辐射。对高温目标辐射量，在气溶胶模式固定的情况下，选取观测天顶角、大气可降水量、大气廓线为自变量影响因子。对于背景辐射亮度关系，选取观测天顶角、大气可降水量、大气廓线、背景温度为自变量影响因子, 利用多元统计，建立相关模型。利用对地面热状态非常敏感的风云三号可见光红外扫描辐射计第3通道数据的统计特征探测火山口，获取高温目标在特定波段的表观多维特征并定量分析。火山的多维特征分析，主要从时间和空间两个维度展开。时间维度是对同一火山在不同时间的数据进行分析，空间维度上，主要统计火山口的辐射亮度和亮度温度的空间分布特征。一般气象卫星分辨率较低，单纯利用像元个数表示火山面积, 明显夸大了火山的实际面积，所以基于亚像元特性对火山进行分析，将混合像元火点视为明火和背景的组合，运用线性光谱混合模型，通过混合像元的辐射率精确计算火山高温点的面积和温度，提高定量分析精度。分析结果表明： 通过仿真手段结合多元统计分析方法建立高温目标的波段转换模型是一种可行的预研手段。在2.7~2.95 μm谱段，火山口在弱背景环境下可能会对高温目标造成干扰，而在4.2~4.45 μm谱段，火山口能量远高于一般地表类型，是不可忽视的干扰。     

The spin-isospin decomposition of the nuclear symmetry energy from low to high density

The energy per particle BA in nuclear matter is calculated up to high baryon density in the whole isospin asymmetry range from symmetric matter to pure neutron matter.The results,obtained in the framework of the Brueckner-Hartree-Fock approximation with two-and three-body forces,confirm the well-known parabolic dependence on the asymmetry parameterβ=(N?Z)/A(β^2 law)that is valid in a wide density range.To investigate the extent to which this behavior can be traced back to the properties of the underlying interaction,aside from the mean field approximation,the spin-isospin decomposition of BA is performed.Theoretical indications suggest that theβ^2 law could be violated at higher densities as a consequence of the three-body forces.This raises the problem that the symmetry energy,calculated according to theβ^2 law as a difference between BA in pure neutron matter and symmetric nuclear matter,cannot be applied to neutron stars.One should return to the proper definition of the nuclear symmetry energy as a response of the nuclear system to small isospin imbalance from the Z=N nuclei and pure neutron matter.     

NO分子宏观气体热力学性质的理论研究

采用量子统计系综理论,研究了基态NO分子宏观气体摩尔熵、摩尔内能、摩尔热容等热力学性质.首先应用课题组前期建立的变分代数法(variational algebraic method, VAM)计算获得了基态NO分子的完全振动能级,得到的VAM振动能级作为振动部分,结合欧拉-麦克劳林渐进展开公式的转动贡献,应用于经典的热力学与统计物理公式中,从而计算得到了1000-5000 K温度范围内NO宏观气体的摩尔内能、摩尔熵和摩尔热容.将不同方法计算得到的摩尔热容结果分别与实验值进行比较,结果表明基于VAM完全振动能级获得的结果优于其他方法获得的理论结果.振动部分采用谐振子模型对无限能级求和计算热力学性质的方法有一定的局限性,应当使用有限的完全振动能级进行统计求和.     

Changes of microflora in high pressure treated Indian white prawn (Fenneropenaeus indicus)

ABSTRACT

This study was to investigate the piezotolerance and diversity indices of microflora of Indian white prawn (Fenneropenaeus indicus) after high pressure (HP)-treatment. Indian white prawns subjected to HP-treatments and its effect was studied up to species level and compared with unpressurized samples. The bacterium was identified by using bacterial identification schemes, biochemical tests and API kits (bioMérieux, Marcyl’Etoile, France). Diversity analysis was performed using PRIMER (Plymouth Routines in Multivariate Research) software v 5.2.2. The significant elimination of microflora was found to be proportional with the pressure level. In the case of spore formers, mere destruction was noticed after HP-treatment. Arthrobacter spp., Listeria grayi and Corynebacterium spp. were the most piezotolerant bacteria in HP-treated samples. Diversity indices revealed a significant reduction of microflora of Indian white prawn. The apparent reduction of microflora with pressure level was clearly evident from the diversity indices; moreover a diminished piezotolerance of Gram negative spoilage bacteria was also observed.     

The deformation and fracture of balloons

Inflation of balloons provides a straightforward way of achieving large biaxial deformations. Previous studies have shown that when a balloon bursts, crack propagation occurs at very high speed – much higher than would be expected from the low strain modulus and elastic wave velocity of the rubber. The present paper is concerned with studies of the deformation and fracture of cylindrical balloons. On inflation, the deformations of such a balloon pass through an unstable region but subsequently increase monotonically with pressure. In this relatively high pressure region, the ratio of the longitudinal and circumferential extension ratios is broadly in accord with expectations from high-strain elasticity theory when the ratio of the corresponding stresses is taken into account. On bursting, crack speeds up to around 300 m/s in this region. It is shown that these speeds are in accord with large increase in incremental moduli for the highly-strained rubber. Marked changes in crack tip profile observed at very high crack speeds are consistent with control of the rate of growth by inertia rather than by the viscoelastic properties of the rubber (as is believed to be the case at lower speeds). Consistent with this, various elastomers having different glass transition temperatures show similar crack growth behaviour in the very high speed region.     

Influence of Polarity and Activation Energy in Microwave–Assisted Organic Synthesis (MAOS)

The aim of this work was to determine the parameters that have decisive roles in microwave-assisted reactions and to develop a model, using computational chemistry, to predict a priori the type of reactions that can be improved under microwaves. For this purpose, a computational study was carried out on a variety of reactions, which have been reported to be improved under microwave irradiation. This comprises six types of reactions. The outcomes obtained in this study indicate that the most influential parameters are activation energy, enthalpy, and the polarity of all the species that participate. In addition to this, in most cases, slower reacting systems observe a much greater improvement under microwave irradiation. Furthermore, for these reactions, the presence of a polar component in the reaction (solvent, reagent, susceptor, etc.) is necessary for strong coupling with the electromagnetic radiation. We also quantified that an activation energy of 20–30 kcal mol⁻¹ and a polarity (μ) between 7–20 D of the species involved in the process is required to obtain significant improvements under microwave irradiation.     

Pressure induced lattice anomalies in pnictides

Hydrostatic pressure Raman and synchrotron XRD measurements at room temperature have been carried out on a series of NdFeAsO_1−xF_y (Nd1111) oxypnictides in order to investigate pressure-induced lattice modifications. The synchrotron XRD data indicate that there is an increased deviation of the lattice constants from smooth pressure dependence in the superconducting compound, in close agreement with the results from SmFeAsO_1−xF_x (Sm1111), although the effect is less pronounced in Nd1111. As in Sm1111 the hydrostatic pressure Raman measurements show that the A_1g mode of the rare earth atom deviates from the linear pressure dependence. Anomalous pressure dependence and a hysteresis is observed in the phonon width of the phonon modes. The calculated Grüneisen parameter for the Nd phonon is very similar to the corresponding value for SmFeAsO_1−xF_x compound and it does not vary with substitution. For the As mode it has a lower value indicating a stiffer phonon with the increased ion size. In connection with the XRD measurements the Raman data show a sudden increase of the pressure-induced lattice anomalies close to doping where the compounds become superconducting.     

A paper-based resonance energy transfer nucleic acid hybridization assay using upconversion nanoparticles as donors and quantum dots as acceptors

Monodisperse aqueous upconverting nanoparticles (UCNPs) were covalently immobilized on aldehyde modified cellulose paper via reduction amination to develop a luminescence resonance energy transfer (LRET)-based nucleic acid hybridization assay. This first account of covalent immobilization of UCNPs on paper for a bioassay reports an optically responsive method that is sensitive, reproducible and robust. The immobilized UCNPs were decorated with oligonucleotide probes to capture HPRT1 housekeeping gene fragments, which in turn brought reporter conjugated quantum dots (QDs) in close proximity to the UCNPs for LRET. This sandwich assay could detect unlabeled oligonucleotide target, and had a limit of detection of 13 fmol and a dynamic range spanning nearly 3 orders of magnitude. The use of QDs, which are excellent LRET acceptors, demonstrated improved sensitivity, limit of detection, dynamic range and selectivity compared to similar assays that have used molecular fluorophores as acceptors. The selectivity of the assay was attributed to the decoration of the QDs with polyethylene glycol to eliminate non-specific adsorption. The kinetics of hybridization were determined to be diffusion limited and full signal development occurred within 3 min.