The formation of mesophase composites under influence of the coal-tar pitch during coal carbonization

The influence of coal tar pitch on the formation of the mesophase composites from coal and pitch blends, the development of porous structure during carbonization, and the texture of matter in the pore walls has been studied using X-rays and scanning electronic microscopy (SEM). The influence of the coal-tar pitch on the structure of a coal plastic layer formed during the pyrolysis process of four Polish coals has been monitored. It was determined that, during pyrolysis of three mixtures of Z, S and K coals with coal-tar pitch, more porous composites are formed, and a denser composite is formed from P coal–pitch mixture. Based on a study of the texture of composites and carbonizates, it is suggested that during carbonization of coal Z with a coal-pitch in the plastic state there is a nematic mesophase formed, and when heating P coal–pitch mixtures, a cholesteric one is formed.     

Search for dilepton resonances in pp collisions at √s=7 TeV with the ATLAS detector

This Letter reports on a search for narrow high-mass resonances decaying into dilepton final states. The data were recorded by the ATLAS experiment in pp collisions at √s=7 TeV at the Large Hadron Collider and correspond to a total integrated luminosity of 1.08 (1.21) fb(-1) in the e(+)e(-) (μ(+)μ(-)) channel. No statistically significant excess above the standard model expectation is observed and upper limits are set at the 95% C.L. on the cross section times branching fraction of Z' resonances and Randall-Sundrum gravitons decaying into dileptons as a function of the resonance mass. A lower mass limit of 1.83 TeV on the sequential standard model Z' boson is set. A Randall-Sundrum graviton with coupling k/M(Pl)=0.1 is excluded at 95% C.L. for masses below 1.63 TeV.     

Pitch and pitch discrimination of broadband signals with rippled power spectra

A random-interval pulse train or wide-band noise when delayed (tau) and added back to itself (cos+) produces a stimulus with a consinusoidally varying (or trippled) power spectrum. The spacing between the peaks in the spectrum is equal to the reciprocal of the delay (1/tau). If the stimulus is delayed and added back at 180 degrees phase reversal (cos-), then a cosinusoidally varying power spectrum is generated whose spectral peaks are separated by 1/tau, but whose peaks are displaced by 1/2tau relative to the power spectrum of the cos+ stimulus generated with the same day, tau. These stimuli yield a pitch, such that the pitch of the cos+ stimulus is equal to approximately 1/tau and the pitches of the cos- stimuli are equal to approximately 0.9/tau and 1.1/tau. These pitch matching results were studied using a variety of matching stimuli and conditions. Following the identification of the pitches, a method of limits and a same-different procedure were used to study the pitch discriminability of both the cos+ and cos- stimuli. Delays (tau) ranging from 1 to 10 ms were studied covering a pitch range of 90-1100 Hz. The pitch discriminations associated with the cos+ and cos- stimuli were essentially the same for both the random-interval pulse train and the wide-band stimuli. These pitch-discrimination results are compared to those associated with a periodic pulse train. The research is also discussed in terms of discriminations of delayed sounds in reverberant environments. These are consistent with assumptions concerning the autocorrelation of the rippled stimuli within the dominant frequency region for pitch perception.     

水溶性沥青分子结构的光谱解析

水溶性沥青是煤焦油沥青经酸氧化改质得到的水溶物含量大于70%的改性沥青，不仅兼有普通沥青的多环芳烃结构，同时表面结构中引入了大量含氧、氮、硫等极性官能团，可在水相中制备复合型炭材料。应用荧光、红外、紫外光谱及核磁共振技术并结合Yen-Mullins模型解析了混酸法制备的水溶性沥青的分子结构。结果表明：与中温煤沥青相比，主要杂原子N，O和S质量分数分别由1.06%，11.64%，0.79%增加到6.78%，29.59%，2.41%；O含量的显著增加，增强了沥青的亲水性。红外光谱体现了水溶性沥青的杂原子N，O和S以Ar-NO₂，Ar-OH，Ar-SO₃H和CO等形式存在；通过荧光发射光谱特征峰与Yen-Mullins模型对比，得出水溶性沥青的芳香结构主要是由3种稠环的“岛屿结构”芳香片段组成；1H-NMR和13C-NMR分析表明，水溶性沥青分子芳环侧链被氧化成仅含有1个C且链接不同官能团的脂肪碎片，该碎片与“岛屿结构”作为主要部分构成水溶性沥青分子的稳定结构。由此看出，元素分析结合红外光谱可从本质上解释水溶性沥青易溶于碱性水溶液的原因，荧光谱图与Yen-Mullins模型结合可从微观上解释水溶性沥青的主要结构，为判定不同性质的沥青提供一种方法。     

Analysis of dammar resin with MALDI-FT-ICR-MS and APCI-FT-ICR-MS

Comprehensive analysis of high-resolution mass spectra of aged natural dammar resin obtained with Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR-MS) using matrix-assisted laser desorption/ionization (MALDI) and atmospheric pressure chemical ionization (APCI) is presented. Dammar resin is one of the most important components of painting varnishes. Dammar resin is a terpenoid resin (dominated by triterpenoids) with intrinsically very complex composition. This complexity further increases with aging. Ten different solvents and two-component solvent mixtures were tested for sample preparation. The most suitable solvent mixtures for the MALDI-FT-ICR-MS analysis were dichloromethane-acetone and dichloromethane-ethanol. The obtained MALDI-FTMS mass spectrum contains nine clusters of peaks in the m/z range of 420-2200, and the obtained APCI-FTMS mass spectrum contains three clusters of peaks in the m/z range of 380-910. The peaks in the clusters correspond to the oxygenated derivatives of terpenoids differing by the number of C(15)H(24) units. The clusters, in turn, are composed of subclusters differing by the number of oxygen atoms in the molecules. Thorough analysis and identification of the components (or groups of components) by their accurate m/z ratios was carried out, and molecular formulas (elemental compositions) of all major peaks in the MALDI-FTMS and APCI-FTMS spectra were identified (and groups of possible isomeric compounds were proposed). In the MALDI-FTMS and APCI-FTMS mass spectrum, besides the oxidized C(30), triterpenoids also peaks corresponding to C(29) and C(31) derivatives of triterpenoids (demethylated and methylated, correspondingly) were detected. MALDI and APCI are complementary ionization sources for the analysis of natural dammar resin. In the MALDI source, preferably polar (extensively oxidized) components of the resin are ionized (mostly as Na(+) adducts), whereas in the APCI source, preferably nonpolar (hydrocarbon and slightly oxidized) compounds are ionized (by protonation). Either of the two ionization methods, when used alone, gives an incomplete picture of the dammar resin composition.     

MALDI-MS detection of noncovalent interactions of single stranded DNA with Escherichia coli single-stranded DNA-binding protein

The Escherichia coli single-stranded DNA binding protein (SSB) selectively binds single-stranded (ss) DNA and participates in the process of DNA replication, recombination and repair. Different binding modes have previously been observed in SSB?ssDNA complexes, due to the four potential binding sites of SSB. Here, chemical cross-linking, combined with high-mass matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS), is used to determine the stoichiometry of the SSB?ssDNA complex. SSB forms a stable homotetramer in solution, but only the monomeric species (m/z 19,100) can be detected with standard MALDI-MS. With chemical cross-linking, the quaternary structure of SSB is conserved, and the tetramer (m/z 79,500) was observed. We found that ssDNA also functions as a stabilizer to conserve the quaternary structure of SSB, as evidenced by the detection of a SSB?ssDNA complex at m/z 94,200 even in the absence of chemical cross-linking. The stability of the SSB?ssDNA complex with MALDI strongly depends on the length and strand of oligonucleotides and the stoichiometry of the SSB?ssDNA complex, which could be attributed to electrostatic interactions that are enhanced in the gas phase. The key factor affecting the stoichiometry of the SSB?ssDNA complex is how ssDNA binds to SSB, rather than the protein-to-DNA ratio. This further suggests that detection of the complex by MALDI is a result of specific binding, and not due to non-specific aggregation in the MALDI plume.     

光谱稳定的互补色双发光层高效混合白光OLED

利用两种颜色的发光层制备了光谱稳定的高效混合WOLED。其中蓝光发光层用14%质量分数的BNE掺杂在BePP₂中,橙光发光层用1%质量分数的Ir（bt）₂（acac）掺杂在49.5%质量分数的NPB和49.5%质量分数的BePP₂组成的混合主体中。在不利用任何光耦合技术的条件下,器件在亮度为100 cd/m²时,功率效率可以达到39 lm/W;当亮度提高到1 000 cd/m²时,效率仅发生轻微滚降至27.5 lm/W。器件的光谱稳定,亮度在1 000 cd/m²和10 000 cd/m²时,CIE坐标分别为（0.37,0.48）和（0.37,0.47）。良好的光谱稳定性归结于设计的双极性中间层平衡了其两侧激子的产生。     

基于基线漂移模型的气体光谱自动基线校正

傅里叶红外光谱是监测污染源废气排放的一种重要手段。发展针对气体光谱的自动基线校正方法对于污染气体快速检测及长时间在线监测具有重要意义。目前自动基线校正中的一个难点是如何准确校正存在宽峰的光谱：宽峰在频域中具有一定低频成分,基于频域滤波提取光谱中低频基线信息的方法因难以选择合适的分离条件容易产生基线扭曲。采取自动识别基线点,基于预先设定的基线模型拟合光谱基线的方法可以规避频域方法中分离条件选取的环节,但其校正效果对所采用的基线模型非常敏感。当基线模型中的自由度过小时,拟合基线无法准确逼近光谱基线漂移,基线校正的误差较大;而当基线模型中的自由度过大时,尤其是含有实际基线漂移中不存在的虚假自由度时,容易产生基线扭曲。目前常用的基线模型有线性、多项式、样条插值、指数模型等,在基线模型的选择上缺乏较为统一的标准。本研究着眼于避免基线模型缺乏必要自由度或含有虚假自由度,提出基于实际基线漂移的自由度建立基线模型。研究发现,气体光谱中主要的基线漂移在光谱中可被近似表示为波数的特定阶次(0次、1次、2次和4次项)的形式。以此作为基线模型提出了一种自动基线校正新方法。新方法以传统迭代多项式拟合自动基线校正方法作为基础,将其中仅设定多项式最高阶次的基线模型改进为上述由具有物理意义支撑的特定阶次构成的基线模型;此外,增加了对吸收峰尾部的判定,用于避免在采用阈值分辨吸收峰与基线时,吸收峰尾部因吸光度较低被误识别为基线的问题。以实测获得的含有水汽宽峰的空气光谱作为样本,对所提方法的基线校正效果进行了验证,并与迭代多项式拟合方法中两种较有代表性的Lieber和Mahadeven-Jansen(LMJ)方法以及Liu和Koenig(LK)方法的基线校正效果进行了对比。实验结果表明,所提方法与采用不同最高多项式阶次的LMJ及LK方法相比,可更好的避免基线扭曲,同时其校正后的光谱基线与吸光度0线间具有最低的方差平均值。研究表明,采用实际基线漂移的自由度建立光谱基线模型可获得良好的基线校正效果。     

Search for production of single top quarks via tcg and tug flavor-changing-neutral-current couplings

We search for the production of single top quarks via flavor-changing-neutral-current couplings of a gluon to the top quark and a charm (c) or up (u) quark. We analyze 230 pb{-1} of lepton+jets data from pp[over] collisions at a center of mass energy of 1.96 TeV collected by the D0 detector at the Fermilab Tevatron Collider. We observe no significant deviation from standard model predictions, and hence set upper limits on the anomalous coupling parameters kappa{g}{c}/Lambda and kappa{g}{u}/Lambda, where kappa{g} define the strength of tcg and tug couplings, and Lambda defines the scale of new physics. The limits at 95% C.L. are kappa{g}{c}/Lambda<0.15 TeV-1 and kappa{g}{u}/Lambda<0.037 TeV-1.     

Fitting of deuterium quadrupole echo spectra with multiple motional models

Dynamic information is generally extracted from deuterium quadrupole echo spectra by matching a spectrum calculated for a particular motional model to the experimental spectrum. In this work, a set of computer programs has been written to facilitate fitting of calculated spectra to experimental spectra that represent from one to five motional models. The fitting program requires pre-calculated libraries of spectra for the models of interest, and accomplishes the fitting either by a systematic method or by simulated annealing. The systematic method is convenient for fitting with one or two motional models, but the simulated annealing method is faster for two or more models, if the libraries are made up of hundreds of spectra. The parameter Q, with the standard deviation of the spectral points estimated as the standard deviation of the baseline noise, provides a stringent measure of goodness of fit. Acceptable fits of experimental data as judged by this criterion have not been found, even in the case of ring flip motion in phenylalanine-d(5) in which the fit may be judged acceptable by eye. An example of fitting with isotropic and methyl rotation motional models of alanine-d(3), which have distinct spectral patterns, shows that it is possible to obtain reasonably accurate estimates of the relative amounts of deuterium representing the different models, even from poorly fitted spectra.     

岩浆接触变质煤结构特征的谱学研究

为了探讨岩浆侵入对煤结构参数的演化规律,对淮南煤田朱集区13-4钻孔内岩浆接触带两侧的4个煤样品进行了X射线衍射和激光共焦显微拉曼光谱测试和分析。结果表明：煤的XRD光谱均显示出较高的背景强度,在26°与42°附近出现明显的石墨衍射峰;煤的拉曼光谱在1 000～2 000 cm-1波数范围内有两个明显的振动峰,分别为宽缓的D峰(1 328～1 369 cm-1)和尖锐的G峰(1 564～1 599 cm-1)。在岩浆侵入的影响下,煤结构参数的变化与煤级的变化有很好的相关性。     

A central spectrum model: a synthesis of auditory-nerve timing and place cues in monaural communication of frequency spectrum

A probabilistic psychophysical model for monaural communication from the auditory nerve to the brain is given in the form of a tonotopic display of stimulus spectrum, termed central spectrum. The model builds upon prior research demonstrating the potential of neural timing cues from the auditory nerve for conveying information on complex spectra, and was designed to meet the quantified demands of the psychophysics of frequency measurement. The central spectrum magnitude at each frequency is determined by the response of the auditory-nerve fibre with characteristic frequency matching that frequency. An interval histogram from each fiber is passed through a filter matched to the characteristic frequency of the fiber. This output versus characteristic frequency defines the central spectrum. Detailed analysis demonstrates that efficient probabilistic processing of the central spectrum described known psychophysical properties of frequency measurement in discrimination and periodicity pitch experiments. Psychophysical models based upon the central spectrum model followed by optimum probabilistic pattern recognition are potentially relevant for predicting human communication limits in response to arbitrary sounds of speech and music.     

以Eu-苯甲酸-1,10-菲咯啉为掺杂剂的SiO2,SiO2-B2O3和SiO2-B2O3-Na2O体系材料的结构及Eu3+的发光性质

用溶胶-凝胶法制备以Eu-苯甲酸-1,10-菲咯啉为掺杂剂的SiO2,SiO2-B2O3和SiO2-B2O3-Na2O为基质的发光材料.材料经1000℃退火处理后,结构十分稳定.通过激发光谱和发射光谱、红外光谱、TEM、XRD研究了基质结构对Eu3 发光性能的影响.结果显示:在589和614 nm处显示Eu3 的特征发射带,对应于Eu3 的5D0→7Fj(j=1,2)跃迁;与直接掺入EuCl3的玻璃材料相比,以Eu-苯甲酸-1,10-菲咯啉为掺杂剂的玻璃材料,虽然Eu的掺杂量较小,但Eu的发光强度较大.与以SiO2为基质的玻璃材料相比,以SiO2-B2O3为基质的玻璃材料Eu3 的发光减弱,其红外光谱显示形成Si-O-B键,说明该结构对Eu3 的发光有猝灭作用,以SiO2-B2O3-Na2O为基质的玻璃材料Eu3 的发光明显增强,其红外光谱显示不存在SiOB键的振动吸收,可能是Na取代B的位置,形成Si-O-Na键,此结构对Eu3 的发光有一定的增强作用.     

Δ -resonances: Quark models, chiral symmetry and AdS/QCD

The mass spectrum of Δ -resonances is compared to predictions based on three quark-model variants, to predictions assuming that chiral symmetry is restored in high-mass baryon resonances, and to predictions derived from AdS/QCD. The latter approach yields a nearly perfect agreement when the confinement property of QCD is modeled by a soft wall in AdS.     

Search for narrow tt resonances in pp collisions at square root of (s)=1.8 TeV

A search for narrow resonances that decay into tt pairs has been performed using 130 pb(-1) of data in the lepton + jets channel collected by the Dphi detector in pp collisions at square root of (s)=1.8 TeV. There is no significant deviation observed from the standard-model predictions at a top-quark mass of 175 GeV/c2. We therefore present upper limits at the 95% confidence level on the product of the production cross section and branching fraction to tt for narrow resonances as a function of the resonance mass MX. These limits are used to exclude the existence of a leptophobic top-color particle with mass MX<560 GeV/c2, using a theoretical cross section for a width GammaX=0.012MX.     

A new general-purpose fully automatic baseline-correction procedure for 1D and 2D NMR data

A new procedure for automatic baseline correction of NMR data sets is presented. It is based on an improved automatic recognition of signal-free regions that uses a Continuous Wavelet transform derivative calculation, followed by a baseline modelling procedure based on the Whittaker smoother algorithm. The method has been proven to automatically flatten 1D and 2D NMR spectra with large baseline distortions arising from different sources, is tolerant to low signal-to-noise ratio spectra, and to signals of varying widths in a single spectrum. Even though this procedure has so far only been applied to NMR spectra, we believe it to also be applicable to other spectroscopies having relatively narrow peaks (e.g., mass spectrometry), and potentially to those with broad peaks (e.g., near infrared or ultraviolet).     

Detection of small signals in mass spectra

The results of the chromatographic–mass spectrometric analysis of a mixture containing a compound with low protonation efficiency have been given. A software package for preliminary processing of mass spectra is used for determining the peak parameters of the compound ions. The reliability of the processing results has been confirmed by comparison with the tabular data for the isotope masses and the isotopic composition of the component. The mass spectrum has been interpreted by calculating the peak areas and centroids together by evaluating the standard deviation of the center of the peak. The results of processing the mass spectrum using the mMass program have been given.

     

中温沥青超声萃取物的热解特性与分子结构间关联性的FTIR解析

沥青分子结构和沥青热转化行为的调控是制备高品质沥青基炭材料的关键.为进一步明晰沥青热解行为与沥青分子结构间的关联性,选用8种有机溶剂对中温沥青(AGM P)在常温下进行超声萃取处理得到8种萃取物.利用PeakFit v4.12软件对各种萃取物的红外光谱吸收峰700～900,1000～1800,2800～3000和300...     

小波分解重建算法提高近红外煤质水分检测精度

水分是煤质经济价值的基本指标,会造成煤质利用率下降和能源浪费。因此,近红外光谱法实现煤质水分快速、无损、低成本检测具有重要意义。针对目前近红外煤质水分检测精度普遍在1%,且鲜有关于精度提高系统性研究的现状,从光谱预处理及波长选择进行比较,提出了提高煤质水分检测精度的可行性方法。实验结果表明,采用小波分解重建算法对1 300～2 400 nm光谱区间进行降噪及去基线预处理,对重建光谱进行偏最小二乘建模,其建模结果明显优于其他方法,RMSEC达到0.06%,RMSEP达到0.27%,相关性系数R-square达到0.995,且证明模型稳定性较好,显著提高了近红外煤质水分的检测精度。     

Chemical reactivity in matrix-assisted laser desorption/ionization mass spectrometry

During the control of a multistep organic synthesis on a soluble polymer (PEG) by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry, a chemical reactivity was encountered when the matrix was acidic, for the samples where the amino moiety of the anchored compounds was protected as a Schiff base. Such imine hydrolysis was proven to be solely mediated by the acidic matrix during analyses since the expected protected structures were detected when the experiments were duplicated with a non-acidic matrix. Even if MALDI mass spectrometry was found to be more convenient than electrospray ionization mass spectrometry for the monitoring of liquid phase organic syntheses, the chemical reactivity imparted by the use of a matrix must be taken into account to avoid erroneous spectra interpretations. Copyright 1999 John Wiley & Sons, Ltd.