荧光光谱结合表面增强拉曼光谱法研究紫檀芪与人血清白蛋白相互作用

在模拟人体生理条件下,应用荧光光谱和表面增强拉曼光谱法研究了紫檀芪(PTE)与人血清白蛋白(HSA)之间相互作用机制.结果表明,HSA的荧光能被PTE静态猝灭,并伴随有非辐射能量转移作用,两者形成了1:1复合物,结合距离r=1.495 nm,结合常数KA=1.12×104(298 K)、4.07×104(304 K)和2.45×105 L/mol(310 K).表面增强拉曼光谱研究揭示,PTE分子通过甲氧基与HSA进行结合;热力学数据表明,二者间的作用主要为疏水作用;标记竞争实验指出PTE优先结合HSA的位点Ⅲ.三维荧光光谱、同步荧光光谱和表面增强拉曼光谱结果显示,与PTE作用后,HSA构象发生变化,导致色氨酸残基周围环境疏水性降低,但对PTE分子构象影响不大.     

Synthesis of the polyethylene glycol solid-solid phase change materials with a functionalized graphene oxide for thermal energy storage

Polyethylene glycol (PEG) as a phase change material possesses three obstacles, such as leakage, low thermal conductivity and low thermal stability. A novel solid-solid phase change material (PCM) based on functionalized graphene oxide (GO), Polyethylene glycol (PEG) was prepared, and the three obstacles of PEG as a PCM was solved in one and the same material. Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman and Transmission electron microscope (TEM), X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TG) and thermogravimetric analysis/infrared spectrometry (TG-IR) were used to study the properties of supporting material and composite PCM (CPCM). The results indicated that the PEG was grafted on the surface of the supporting material; Compared with pure PEG, the latent heat of CPCM with 9.6 wt% supporting material decreased only 5.3%, however, the thermal conductivity of CPCM increased 111% and the heat peak release rate of CPCM decreased 33.4%.     

The role of microstructure on the mechanical properties of polyurethane foams containing thermoregulating microcapsules

Rigid polyurethane foams with up to 50 wt% of microcapsules from LDPE-EVA containing Rubitherm^®RT27 were synthesized. The influence of microcapsules on the foams density, microstructure and mechanical resistance was studied. Cell size and strut and wall thicknesses were analyzed by SEM. The relationships between densities and foam microstructures with their Young's moduli and collapse stress were found by the Gibson and Ashby formulations and the Kerner equation for mechanical properties of composites. It was found a cell structure change from polyhedral closed-cells to spherical or amorphous open-cells. A good agreement between the experimental and theoretical data was observed but requiring a cell form factor. Thus, Fitting parameters confirmed the high trend of these microcapsules to be incorporated into the foam cell walls and the form factors depicted the abrupt change of cell morphology. Thus, these equations are suitable for predicting the mechanical properties of foams containing fillers of low mechanical resistance.     

UV–vis and fluorescence detection by receptors based on an isophthalamide bearing a phenylethynyl group

We have successfully prepared 5-(2-phenylethynyl)isophathalilc acid as a signaling unit and the corresponding derivatives for an anion receptor 2 and a barbiturate receptor 4. Receptor 2 showed characteristic UV–vis changes and dramatic fluorescence quenching upon the addition of anions and receptor 4 showed UV–vis and an OFF-ON fluorescence changes upon the addition of dibutylbarbituric acid based on the diphenylethyne moiety.     

Computational analysis for the determination of deleterious nsSNPs in human MTHFD1 gene

Single nucleotide polymorphisms (SNPs) are the most common genetic polymorphisms and play a major role in many inherited diseases. Methylenetetrahydrofolate dehydrogenase 1 (MTHFD1) is one of the enzymes involved in folate metabolism. In the present study, the functional and structural consequences of nsSNPs of human MTHFD1 gene was analyzed using various computational tools like SIFT, PolyPhen2, PANTHER, PROVEAN, SNAP2, nsSNPAnalyzer, PhD-SNP, SNPs&GO, I-Mutant, MuPro, ConSurf, InterPro, NCBI Conserved Domain Search tool, ModPred, SPARKS-X, RAMPAGE, FT Site and PyMol. Out of 327 nsSNPs form human MTHFD1 gene, total 45 SNPs were predicted as functionally most significant SNPs, among which 17 were highly conserved and functional, 17 were highly conserved and structural residues. Among 45 most significant SNPs, 15 were predicted to be involved in post translational modifications. The p.Gly165Arg may interfere in homodimer interface formation. The p.Asn439Lys and p.Asp445Asn may interfere in binding interactions of MTHFD1 protein with cesium cation and potassium. The two SNPs (p.Asp562Gly and p.Gly637Cys) might interfere in interactions of MTHFD1 with ligand.     

Determination of various deformation processes in impact-modified PMMA at strain rates up to 105%/min

The deformation processes in impact-modified PMMA, which deforms homogeneously, were determined by means of the stress/strain experiment (, ) with simultaneous lateral strain measurement (_lat) in a wide range of strain rates () up to 10⁵%/min (impact stress). The elastic, plastic cavitation and plastic shear processes were determined as a function of strain. Therefore we calculated the elastic strain ( _el), the elastic volume expansion ( _{vol el}), the cavitation strain ( _cav), which is identical with the plastic volume expansion ( _{vol pl}), the shear strain ( _sh) and the energy densities (W_el, W_cav, W_sh) related to these three processes.For strains of 3 % onward it was found that plastic shear processes and plastic cavitation processes are responsible for a partial loss of elastically stored energy. Both plastic processes turn out to be mostly anelastic deformations, their amount depending strongly on the strain rate. The contributions of the processes to the total deformation of the unmodified PMMA in its strain range are similar to those of the impact-modified PMMA, and the high impact strength is caused by a shift of the catastrophic rupture to very high strains.     

Solid‐state nuclear magnetic resonance investigation of neurosteroid compounds and magnesium interactions

The neurosteroid trans‐dehydroandrosterone (DHEA) and its analogs with slightly different modifications in the side chain attached to C17, that is, (3S)‐acetoxypregn‐5‐en‐20‐one ( 1 ) and (3S,20R)‐acetoxypregn‐5‐en‐20‐ol ( 2 ), have been synthesized to investigate DHEA–cation interactions. In this study, we applied solid‐state ¹H/¹³C cross‐polarization/magic‐angle spinning (CP/MAS) nuclear magnetic resonance (NMR) spectroscopy to a series of DHEA analog/Mg²⁺ mixtures at different Mg²⁺ concentrations. The high‐resolution ¹³C NMR spectra of 1 /Mg²⁺ mixtures exhibit two distinct ¹³C spectral patterns, one attributable to 1 free from Mg²⁺, and the other attributable to 1 with bound Mg²⁺. For 2 , the ¹³C NMR spectra exhibit three distinct spectral patterns; besides that of the free form, the other two can be assigned to Mg²⁺‐bound forms. Based on the analysis of the chemical shift deviations (CSDs), we conclude that both 1 and 2 might be subject to a cation–π interaction via the C5–C6 double bond, in contrast to that observed previously for DHEA. As demonstrated, DHEA possesses two Mg²⁺ binding sites, that is, C17–O and C5–C6 double bond, in which the binding affinity of the former is at least three times stronger than that of the latter. The solid‐state ¹³C NMR investigation allows better understanding of the underlying cation binding effects of neurosteroid molecules in vitro.     

强碱滴定一元弱酸突跃范围的计算

针对现有教材及文献对弱酸滴定计量点附近某些不甚合理的简化处理过程以及某些值得商榷的结论,根据滴定弱酸计量点附近溶液的实际组成,推导了合理的、适用任何情况的强碱滴定一元弱酸的突跃范围计算公式,从而给出了一元弱酸被准确滴定的判据。     

氧钒离子作用下人血红蛋白构象变化的动态过程及2,3-二磷酸甘油酸的影响

用停流分光光度计检测在有或无DPG结合时Hb与氧钒离子作用过程中自身荧光的变化,发现无DPG的Hb自身荧光只是一个单调的荧光猝灭过程.DPG结合于Hb后的荧光变化则先为荧光猝灭,转而缓慢增加.用氧钒离子结合引起的构象变化及DPG和DPG的水解产物3PGA所起的稳定Hb四级结构作用解释了上述过程.     

氟作业工人骨骼X线改变的分析

对９６６名氟作业工人选定的骨骼常规摄Ｘ光片,按其不同日摄氟量分组观片、记录。结果显示：①骨骼Ｘ线改变阳性率与日摄氟量呈正相关（ｒ＝０．８７９,Ｐ〈０．０１）;②不同部位的骨骼Ｘ线改变阳性率有差异;③骨骼Ｘ线改变的主要表现是骨密度增高、骨间膜增宽或钙化、关节、骨周、髓腔有改变、骨质增生、闭孔膜及韧带钙化等。