Study of quasi-monodisperse In2O3 nanocrystals: synthesis and optical determination

In this communication, we report a successful synthesis of quasi-monodisperse In2O3 nanocrystals with high crystallinity in a high-temperature organic solution. The average size of nanocrystals can be tuned using a dynamic injection technique. TEM and XRD investigations indicate that each nanocrystal is a single crystal. The optical determination implies that the photoluminescence behavior of these In2O3 nanocrystals is different from that of the bulk, probably due to the combination of weak quantum-confinement-effects and the nature of high crystallinity in nanocrystals.     

Modeling the competitive dissociation of protonated 2,3-butanedione. The enthalpy of formation of methylhydroxycarbene

The enthalpy of formation of methylhydroxycarbene, CH(3)COH, has been determined from measurements of the threshold energy for collision-induced dissociation of protonated 2,3-butanedione in a flowing afterglow-triple quadrupole mass spectrometer and found to be 16 +/- 4 kcal/mol, 57 +/- 4 kcal/mol higher than that of acetaldehyde. From the measured enthalpy of formation, the difference between the first and second C-H BDEs in ethanol is found to be 17 kcal/mol, which implies a singlet-triplet splitting of 28 kcal/mol in the carbene. The activation energies for loss of ketene and carbon monoxide from protonated butanedione are found to be 60 +/- 4 and 50 +/- 4 kcal/mol, respectively. On the basis of experimental and computational results, the loss of carbon monoxide is proposed to proceed through a tight transition state. Although calculations also suggest a tight transition state for loss of ketene, the experimental data indicate that it occurs via a loose transition state, possibly forming by proton transfer along the direct dissociation pathway.     

Synthesis, optical, and electrochemical properties of conjugated oligomers derived from 4-bromo-4-(n-butyl)-2,2-biphenyl

The synthesis, optical, and electrochemical properties of semi-conducting co-oligomers of biphenyl/oligothiophenes and homo-oligophenylenes derived from a precursor 4-bromo-4^′-(n-butyl)-2,2^′-biphenyl, which was synthesized by a direct alkylation from 4,4^′-dibromo-2,2^′-biphenyl using n-butyl lithium, are reported.     

4D-QSAR analysis of a series of antifungal p450 inhibitors and 3D-pharmacophore comparisons as a function of alignment

A training set of 55 antifungal p450 analogue inhibitors was used to construct receptor-independent four-dimensional quantitative structure-activity relationship (RI 4D-QSAR) models. Ten different alignments were used to build the models, and one alignment yields a significantly better model than the other alignments. Two different methodologies were used to measure the similarity of the best 4D-QSAR models of each alignment. One method compares the residual of fit between pairs of models using the cross-correlation coefficient of their residuals of fit as a similarity measure. The other method compares the spatial distributions of the IPE types (3D-pharmacophores) of pairs of 4D-QSAR models from different alignments. Optimum models from several different alignments have nearly the same correlation coefficients, r(2), and cross-validation correlation coefficients, xv-r(2), yet the 3D-pharmacophores of these models are very different from one another. The highest 3D-pharmacophore similarity correlation coefficient between any pair of 4D-QSAR models from the 10 alignments considered is only 0.216. However, the best 4D-QSAR models of each alignment do contain some proximate common pharmacorphore sites. A test set of 10 compounds was used to validate the predictivity of the best 4D-QSAR models of each alignment. The "best" model from the 10 alignments has the highest predictivity. The inferred active sites mapped out by the 4D-QSAR models suggest that hydrogen bond interactions are not prevalent when this class of P450 analogue inhibitors binds to the receptor active site. This feature of the 4D-QSAR models is in agreement with the crystal structure results that indicate no ligand-receptor hydrogen bonds are formed.     

细胞动力学研究VIII.Na2SeO3对黑根菌作用特征

The Characteristics of the action of Na2SeO3 on Rhizopus nigrocans has been studied by means of microcalorimetry, the relationship between growth rate constants and the concentration of Na2SeO3 is
k=0.03608exp[-0.003608(c+8.60)2]
It was found that Na2SeO3 of low concentration has promoting action on the growth of Rhizopus nigrocans cells, and high concentration of Na2SeO3 has inhibitory action. The study has provided a lot of information on the bioaffect of selenium and the research of toxicology.     

Study of Six Polycyclic Aromatic Hydrocarbons by Chemical Deoxygenation Microemulsion-Stabilized Room Temperature Phosphorimetry

Six polycyclic aromatic hydrocarbons (PAHs) are studied by chemical deoxygenation microemulsion-stabilized room temperature phosphorimetry with sodium sulfite as an oxygen scavenger and thallous nitrate as a heavy atom perturber in sodium dodecyl sulfate medium. Several factors influencing room temperature phosphorescence such as the concentration of sodium dodecyl sulfate, the heavy atom concentration, the pH, and the concentration of sodium sulfite are discussed and the quenching effect of NO₂⁻on room temperature phosphorimetry of PAHs was compared in the microemulsion and micelle media.     

我国粘度计量工作中存在的问题

指出我国粘度计量工作中存在的一些问题，在修订粘度计检定规程，规范标准粘度的名称和有效期以及加强对粘度计检定工作的管理等方面的出了建议，强调了在标准粘度液证书中应给出不同温度下的运动粘度和粘度值，以满足粘度计检定工作的需要。     

Effect of Ce<Superscript>3+</Superscript> on spectral characteristic of D1/D2/Cytb559 complex from spinach

It was studied by spectroscopy that PSII reaction center complex consisting of three polypeptides, D₁, D₂ and Cytb559, were purified from PSII particle of CeCl₃ treated spinach. The results of the experiment show that Ce³⁺ could improve the growth of spinach, and accelerate electron transport of PSII particles. Of chl-a of UV-Vis spectrum of D1/D2/Cytb559 complex, Soret band was blue-shifted by 3 nm and Q band by 2 nm, respectively, and the fluorescence emission peak was blue-shifted by 5 nm in CeCl₃-treated spinach compared with the one in control. By the extended X-ray absorption fine structure (EXAFS) spectroscopy methods, it has been found that Ce³⁺ is coordinated with 8 nitrogen atoms in the first coordination shell with Ce-N bond length of 0.253 nm, and Ce³⁺ with 6 oxygen atoms in the second coordination shell with Ce-O bond length of 0.32 nm. However, the secondary structure of D1/D2/Cytb559 complex by circular dichroism (CD) spectroscopy has no significant change after CeCl₃ treated. It might be that Ce³⁺ binds to porphyrin rings of chlorophyll and oxygen of amino acid residue of polypeptide in D1/D2/Cytb559 complex, and then accelerates the primary reaction of PSII, intensifies function of P680⁺ primary electron donor of D1/D2/Cytb559, but there is little change in conformation of PSII reaction center complex.     

与时俱进，不断开创物理化学课程建设新局面

As a necessary basic theory course for undergraduates majoring in chemistry, materials, pharmacy, chemical engineering, and biology, physical chemistry plays an important role in cultivating talents to meet the needs of social and economic development. Over the years, the teaching team of physical chemistry of East China University of Science and Technology has carried out the curriculum reform and innovation persistently based on "Team building as the foundation, resource building as the root, mode innovation as the soul, ability training as the origin". This paper will summarize our thinking and experience in striving for the first-class course from the aspects of first-class team construction, first-class resource construction, teaching connotation innovation, teaching mode exploration, and extract the experience that can be used as reference by teaching peers.     

鄂尔多斯盆地长7储层致密油水平井CO2补充能量与吞吐参数优化

长7储层是鄂尔多斯盆地主要的致密区块,近一半的致密油分布其中。针对长7储层开采渗透率低、开采难度大、依靠弹性开采产能较低、能量衰竭较快等问题,通过数值模拟的方法,构建水平井分段压裂数值模拟模型,首先对比不同吞吐方式对油田产能的影响,优选出CO₂吞吐为首选的补充能量方式。其次对井网形式、井网参数及吞吐参数进行优化研究。最终优选出合适的吞吐方案,达到提高生产效率的目的。结果表明,该储层的最优注采吞吐参数为：周期注入量为2 673 t、注入压力为21 MPa、注入速度为90 t/d、焖井时间为10 d。研究对鄂尔多斯盆地长7储层提高采收率具有一定的参考意义。