荧光光谱法辨别丙二醇和二甘醇

以齐药二厂的假药事件为背景,对1,2-丙二醇、1,3-丙二醇和二甘醇的吸收光谱和荧光光谱进行了测量,实验结果证明光谱法不失为一种快捷有效的区分手段.在紫外吸收光谱中,可以通过最大吸光度的差异区分二甘醇和丙二醇;在一定紫外波长激励下,三种醇的荧光光谱特性均存在差异,以此可以对三种醇作出有效区分;在230nm激发下,将二甘醇和两种丙二醇分别混合,混合溶液的相对荧光强度均与两种丙二醇体积比呈线性反比关系,这在一定程度上证明了二甘醇的荧光量子效率大于两种丙二醇.     

空间振幅调制光谱偏振测量技术研究

空间振幅调制光谱偏振测量技术通过由光楔、偏振片组成的调制模块,将目标的偏振信息调制到与光谱维垂直的空间维,单次测量即可同时获取目标的偏振信息和光谱信息。首先阐述空间振幅调制光谱偏振测量技术的基本原理,然后利用空间调制光谱偏振仿真软件进行理论仿真,并且给出了具体的实验研究方案,通过对比理论模拟图像和实验图像,验证实验的可靠性。以Q=0,U=1,V=0和Q=1,U=0,V=0作为入射偏振光进行实验,在波长范围500～600 nm采样10组数据,利用最小二乘法对实验输出的偏振光进行偏振解调。结果表明：解调后入射光的线偏振度与参考入射光的误差值分别小于2.5%和4%,偏振角误差值小于1.8%和2%,验证了实验和算法的可行性,并对两组复合光楔中心误差对偏振测量的影响作了简要分析,结果表明中心误差对偏振分量Q和V的测量影响较大。     

Engineering and characterization of mesoporous silica-coated magnetic particles for mercury removal from industrial effluents

Mesoporous silica coatings were synthesized on dense liquid silica-coated magnetite particles using cetyl-trimethyl-ammonium chloride (CTAC) as molecular templates, followed by sol-gel process. A specific surface area of the synthesized particles as high as 150 m²/g was obtained. After functionalization with mercapto-propyl-trimethoxy-silane (MPTS) through silanation reaction, the particles exhibited high affinity of mercury in aqueous solutions. Atomic force microscopy (AFM), zeta potential measurement, thermal gravimetric analysis (TGA), analytical transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and atomic absorption spectroscopy (AAS) were used to characterize the synthesis processes, surface functionalization, and mercury adsorption on the synthesized magnetite particles. The loading capacity of the particles for mercury was determined to be as high as 14 mg/g at pH 2. A unique feature of strong magnetism of the synthesized nanocomposite particles makes the subsequent separation of the magnetic sorbents from complex multiphase suspensions convenient and effective.     

花生种子品质的可见-近红外光谱分析

利用600～1 100 nm波段研究花生品种的可见-近红外反射光谱,对选取的三种具有代表性的花生种子进行实验。使用近红外光纤光谱仪采集光谱数据,对原始光谱进行小波分析以提取光谱特征,再用主成分分析方法进行聚类分析,最后把每一个样品的前4个主成分得分作为识别模型的输入,品种类别作为模型的输出,以马氏距离作为判别函数,建立了线性判别分析模型。对于每个品种的50个样品,随机挑选30个样本作为训练集,剩余的20个样本作为预测集。该识别模型对3个花生品种的平均正确识别率为95%。表明该方法能有效的识别花生种子,得到较好的分类效果,为花生种子品质的区分和鉴别提供了一种新方法。     

聚氨酯结构与径向分布的分子动力学模拟

采用分子动力学方法计算得到DHI-乙烯醇聚合体系统的结构和径向分布函数.讨论了系统结构和径向分布函数与温度和压力之间的关系.结果表明粘合系统的空间分布一般地随着温度和压力的增加而收窄,对增加聚氨酯系统的粘合性具有积极的意义.     

由季戊四醇合成季戊四硫醇的新方法

以季戊四醇为原料,先合成四对甲苯磺酸季戊四醇酯,然后四对甲苯磺酸季戊四醇酯与硫氰酸钾在N,N-二甲基甲酰胺中加热反应,生成了2,3,7,8-四硫螺[4,4]壬烷,2,3,7,8-四硫螺[4,4]壬烷经四氢化铝锂还原、酸化,得到季戊四硫醇.产物结构经熔点、红外光谱、质子核磁共振谱、拉曼光谱鉴定.     

Defect-related relaxation processes in irradiated rare gas solids

Electronic and atomic relaxation processes in preirradiated solid Ar doped with N 2 were studied with a focus on the role of radiative electronic transitions in relaxation cascades. Combining methods of activation spectroscopy - thermally stimulated and photon-stimulated exoelectron emission, a new channel of relaxation induced by photon emission from metastable N atoms was detected. It was shown that in insulating materials with a wide conduction band photons of visible range can release electrons from both kinds of traps - shallow (lattice defects) and deep thermally disconnected ones. Correlation in the charge recombination reaction yield and the yield of low temperature desorption - important relaxation channel in a preirradiated solid - clearly demonstrates interconnection between atomic and electronic processes of relaxation.     

Ion beam mixing of α-MoSi2

Abstract

Using molecular dynamics simulation, we study the mixing of an α-MoSi₂ crystal by 1 keV Ar ions. The observed order of magnitude of the mixing is compatible with a spike model of ion beam mixing. The influence of the target surface and of chemical effects are discussed.     

Hillock formation on ion-irradiated graphite surfaces

Abstract

Scanning probe microscopy experiments show that ion irradiation of (0001) graphite results in the formation of isolated defects comprising of a few tens of atoms. We use molecular dynamics simulations and density-functional theory calculations to study the formation probabilities of these defects. We identify different defect structures which correspond to experimentally observed hillocks on graphite surfaces. We find that the predominant source of defects are vacancies and interlayer interstitials, and identify a three-atom carbon ring defect on the graphite surface.     

Isolation and Structural Study on Carbohydrates from Cynanchum otophyllum and Cynanchum paniculatum

Three new carbohydrates were isolated from the acidic hydrolysis part of the ethyl acetate extract of Cynanchum otophyllum Schneid (Asclepiadaceae) and one new carbohydrate from the ethyl acetate extract of Cynanchum paniculatum Kitagawa. Their structures were determined as methyl 2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranosyl-(1 → 4)-2,6-deoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1 → 4)-2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranoside (1), ethyl 2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1 → 4)-2,6-dideoxy-3-O-methyl-α-l-lyxo-hexopyranoside (2), met hyl 2,6-dideoxy-3-O-methyl-α-l-ribo-hexopyranosyl-(1 → 4)-2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl-(1 → 4)-2,6-dideoxy-3-O-methyl-α-D-arabino-hexopyranoside (3), and 2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1 → 4)-2,6-dideoxy-3-O-methyl-α-d-arabino-hexopyranosyl-(1 → 4)-2,6-dideoxy-3-O-methyl-α -d-arabino-hexopyranose (4), respectively, by spectral methods.