Effect of electric field on activated sludge in water

The results of the study of the effect of a dc electric field on activated sludge of aeration tanks. It is experimentally detected that the specific oxidation rate of organic compounds by activated sludge increases up to 90.5% with electric field processing, and then decreases. The observed effect is substantiated. The results obtained can find wide application in purification of sewage polluted by organic compounds.     

Photoprocesses in complex organic compounds

We present the results of investigations of photoprocesses in organic compounds. We have done a theoretical and experimental study of the relationship of photophysical and photochemical processes in organic molecules to the characteristics features of intramolecular and intermolecular interactions and the exciting electromagnetic field. We have developed quantum chemical procedures for theoretical prediction of the structure of organic compounds with specified physicochemical and optical properties. We have designed new active media for lasers with enhanced photostability and increased lifetime. Translated from Izvestiya Vysshkh Uchebnykh Zavedenii, Fizika, No. 8, pp. 76–86, August, 1998.     

新型萘酰亚胺衍生物的13C NMR研究

报道了四种新的萘酰亚胺衍生物的¹³C NMR谱. 应用¹H、¹³C、DEPT、HMQC、HMBC 等谱确定了这四种化合物的分子结构,并对全部谱峰进行了归属,探讨了分子结构对¹³C NMR化学位移的影响.     

Oxygen-induced concurrent ultrasonic degradation of volatile and non-volatile aromatic compounds

Acoustic cavitation, induced by ultrasound, can be used to eliminate organic pollutants from water. This type of ultrasonic treatment of polluted water can be grouped with those generally referred to as advanced oxidative processes since it involves hydroxyl radicals. In this case these highly active species are generated from the dissociation of water and oxygen dissociation caused by cavitation bubble collapse. The cavitation induced degradation rates of organic compounds in water are mainly linked to their vapor pressure and solubility and here we will further explore these links by examining the degradation of a mixture of two materials with different physical properties, chlorobenzene and 4-chlorophenol. The results obtained when a dilute solution of a mixture of these compounds saturated with argon is subjected to sonication at 300 kHz, parallels previous observations achieved in an aerated aqueous medium at 500 kHz. The two compounds exhibit sequential degradation with the more volatile chlorobenzene entering the cavitation bubble and being destroyed first. The 4-chlorophenol degradation occurs subsequently only when the chlorobenzene has been completely destroyed. The two compounds exhibit different behavior when sonicated in water saturated with oxygen. Under these conditions the two compounds are degraded simultaneously, a remarkable result for which two explanations can be proposed, both of which are based on the formation of additional OH radical species: The ability to produce conditions for the simultaneous elimination of two organic compounds by the use of oxygen is of great importance in the developing field of ultrasonic water treatment.     

含有亚胺基芴类衍生物的合成及光物理过程

通过2,7-二溴芴酮与相应的苯胺衍生物反应,合成了一系列新型的含有亚胺基的芴类衍生物:2,7-二溴-9-亚苯胺基芴(NBFA),2,7-二溴-9-亚(4-氯-苯胺)基芴(CNBFA),2,7-二溴-9-亚(4-甲基-苯胺)基芴(MN-BFA),其结构经氢核磁共振谱、红外光谱和质谱表征,并且采用紫外光谱法和荧光光谱法研究了这些化合物的光物理过程.     

Molecular Magnetism with Fullerene Building Blocks: the race is on for High Tcs

Ferromagnetism in organic materials with only p electrons is a relatively new phenomenon having been discovered only a few years ago. Recent discoveries of f ullerene charge-transfer compounds with Curie temperatures beyond the exotic experimental domain of dilution refrigerators, together with progress in our understanding of the magnetically ordered state, opens the field to discoveries of potentially useful organic ferromagnets.     

微波辐射炼焦煤中噻吩硫结构的非热效应研究

采用XANES和XPS解析山西炼焦煤中有机硫的赋存特征,选择与煤中结构匹配的噻吩硫模型化合物进行微波辐射和水浴加热,通过Raman光谱比较研究两者对模型化合物中含硫结构的作用机制,利用Materials Studio构建、优化模型化合物结构,用密度泛函理论计算模拟微波场中模型化合物分子构型参数,解析含硫结构对微波的响应机理。结果表明：噻吩硫是炼焦煤中有机硫最主要的赋存形式。微波辐射后,模型化合物碳硫键和硫硫键的Raman谱吸收峰发生红移,温升速度快的模型化合物红移较小;相同温升的水浴加热后,几乎没有红移现象。微波能量不足以使模型化合物中碳硫键和硫硫键断裂,但能够改变分子构型,模型化合物含硫键在微波场中可能存在某种过渡态。微波作用对煤中噻吩硫结构存在非热效应。     

Raman spectra of organic acids obtained using a portable instrument at −5 °C in a mountain area at 2000 m above sea level

Well‐resolved Raman spectra of organic acids were obtained with 785 nm excitation using a portable Raman instrument (Ahura First Defender XL) under low temperature −5 °C atmospheric conditions at an altitude of 2000 m (Axamer Lizum, Innental, Austria). The portable Raman spectrometer tested in this setting permits fast and unambiguous detection of solid forms of these organic acids (formic, acetic, valeric, hexanoic, heptanoic, isophthalic, ascorbic and mellitic) under field conditions. This demonstrates the possibility to use a miniaturized Raman spectrometer as a key instrument for investigating the presence of organic compounds and biomolecules under low temperature conditions. These results are important for future missions focusing not only on Mars, where Raman spectroscopy will be a key non‐destructive analytical tool for the in situ identification of organic compounds relevant to life detection on planetary surfaces or near sub‐surfaces. Copyright © 2009 John Wiley & Sons, Ltd.     

Fast Atom BombardmenUMass Spectrometry (FABMS) and Its Industrial Applications

Abstract

“Soft ionization” techniques which permit direct desorptton of gasphase analyte ions without the need for vaporization have greatly expanded the potential applications of mass spectrometry (MS). By using such techniques as field desorption (FD), desorption chemical ionization (DCI), and fast atom bombardment (FAB), thermally labile and higher molecular weight compounds are now amenable to MS exambation without significant thermal degradation. This ability to ionize higher molecular weight species has been paralleled by high field, inhomogeneous magnet development, allowing magnetic sector mass spectrometers to reach 10,000ν at full accelerating voltage. These advancements in ionization techniques and instrument design now permit useful MS data for organic compounds of several thousand molecular weight to be produced on a near routine basis in many laboratories.     

气相色谱质谱联用分析机动车尾气中的有机成分

通过采用直接采样方法对不同品牌不同车型的机动车尾气进行采集,并使用气相色谱质谱仪对样品中主要的42种有机成分进行了分离和定性分析,计算出相对含量,实验证明直接采样可以高效、快速、简单的对尾气中有机成分提取和分析。本文对12种常见的机动车尾气进行采集,对样品分析发现,机动车尾气中主要的有机成分包括烯烃、烷烃、芳香烃类物质。     

Hyperpolarization of 13C through order transfer from parahydrogen: a new contrast agent for MRI

The order within proton pairs in organic molecules, resulting from hydrogenation with parahydrogen, can be transferred in great part to nearby carbon 13 spins through adequate field manipulations. The molecules with hyperpolarized 13C thus obtained can be used as new contrast agents of high efficiency in MRI. After a brief presentation of the hydrogenation process and apparatus, in relatively low magnetic field, we describe the procedure of order transfer to the 13C spins through a sudden drop from the initial field to zero field followed by an adiabatic remagnetization. The expected final polarizations in the absence of relaxation are given for several compounds. Finally, we show an example of MR images observed in vivo on animals as an illustration of the contrast capacity of this new method.     

Multiple Ca(2+) environments in silicate glasses by high-resolution (43)Ca MQMAS NMR technique at high and ultra-high (21.8 T) magnetic fields

We here show the (43)Ca 5QMAS NMR spectra at high field (16.4 T) and the first 7QMAS spectrum at ultra-high field (21.8 T) for geologically important Ca-containing glasses. The high-resolution MQMAS spectra present a clear evidence of multiple Ca sites in the amorphous structures that have never been identified by other analytical methods. The present study suggests that the Ca(2+) ions are mainly in 7- and 8-fold coordination sites. This will offer valuable insights for dynamic properties of magmatic liquids. The MQMAS NMR technique at high magnetic field is a unique tool to understand the detailed structural information on a specific element in solids including organic and inorganic compounds.     

NMR Analysis of the Water-Soluble Fraction of Airborne Pollen Particles

The analysis of ambient organic aerosols by nuclear magnetic resonance (NMR) spectroscopy is limited because of the large number of organic compounds present at low concentrations. Here, we demonstrate the integrative analysis of NMR spectra of airborne pollen particles using reference spectra, spectral similarity metrics, principal components analysis (PCA), and a chemical mass balance model to determine the predominant types of organic compounds. Strong associations among glucose, fucose, specific amino acids, and airborne pollen particles were observed by spectral similarity metrics and PCA. Carbohydrates accounted for about 51 % of the airborne pollen particles in the spectrum followed by amino acids (42 %) and other compounds (7 %). Overall, our investigations showed that analysis of NMR spectral data of mixtures of environmental organic compounds with pattern recognition methods may generate information on the chemical characteristics of the mixture.     

Positron spin relaxation in solids

Summary The positron spin relaxation in a longitudinal magnetic field was investigated in some solids where Ps formation occurs. The experimental results indicate that this relaxation manifests itself in those organic compounds where the positron can excite low-lying triplet states. The values of positron slowing-down time, obtained by adopting a schematic model, range from 13 to 28 ps. This work was supported by CISM (Centro Interuniversitario di Struttura della Materia) of Ministero della Pubblica Istruzione, and by GNSM (Gruppo Nazionale di Struttura della Materia) of CNR.     

基于UHPLC-QE-MS的CCI模型大鼠的血清代谢组学研究

采用超高效液相色谱-四级杆静电场轨道阱质谱（UHPLC-QE-MS）非靶向代谢组学方法,观察CCI模型大鼠血清内源性代谢物的变化,筛选出慢性坐骨神经痛大鼠血清差异性代谢物,分析慢性疼痛对差异性代谢物的影响。将12只SPF级SD雄性大鼠随机均分为正常组和坐骨神经慢性压迫损伤（CCI）组,每组6只。CCI组建立大鼠左侧坐骨神经慢性压迫损伤模型,正常组除不结扎坐骨神经,其余步骤一样。14天后腹主动脉采血, 分离血清,对大鼠血清中的代谢物进行代谢组学检测。利用UHPLC-QE-MS技术并结合PCA(主成分分析)筛选差异代谢物,利用MetabolicAnalyst5.0进行差异代谢物的富集分析。富集分析结果表明,与正常对照组相比,CCI模型大鼠血清有机酸、有机杂环化合物、脂肪酰基、碳水化合物、核酸、有机氮化合物、碳氢化合物等9类代谢物具有统计学差异。结果表明：基于UHPLC-QE-MS的血清代谢组学方法能够有效区分正常组和CCI组,筛选出的差异代谢物有助于慢性疼痛的机制及药物靶点研究。     

Electrooptic properties of one-dimensional photonic crystals based on organic ferroelectric and dye

We present the results of our study of the electrooptic properties of a one-dimensional photonic crystal created from alternating thin layers of two organic compounds, a ferroelectric and a dye. We show that the ferroelectric subsystem of molecular layers in such a heterostructure can be polarized by an external electric field, leading to a linear electrooptic effect and bistability of the electrooptic response in the spectral region of the photonic stop band. On the other hand, a quasi-linear electrooptic effect attributable to the quadratic Stark effect and the built-in spatially periodic static electric field is observed in the spectral region of the absorption of dye molecules. The emergence of this built-in field is explained in terms of the continuity of the electric displacement vector in a spatially periodic dielectric heterostructure with a macroscopically polarized subsystem of ferroelectric layers.     

Nonlinear optical responses due to exciton-phonon interactions in strongly coupled exciton-phonon systems

The excitonic nonlinear optical responses due to exciton-phonon interactions in strongly coupled exciton-phonon systems are investigated theoretically. It is shown that the influence of exciton-phonon interactions on the nonlinear optical absorptions and Kerr nonlinear coefficients is significant as the signal field frequency detuning from the exciton frequency approaches to the optical phonon frequency. How to manipulate the nonlinear optical responses by using the control fields is also presented.Received: 16 March 2004, Published online: 4 May 2004PACS: 42.50.Gy Effects of atomic coherence on propagation, absorption, and amplification of light; electromagnetically induced transparency and absorption - 42.50.Hz Strong-field excitation of optical transitions in quantum systems; multiphoton processes; dynamic Stark shift - 42.25.Bs Wave propagation, transmission and absorption - 72.80.Le Polymers; organic compounds (including organic semiconductors)     

New concept of organic homo‐rank compounds and its application in estimating enthalpy of formation of mono‐substituted alkanes

Based on the topological characteristics of distance matrices and adjacency matrices of molecular graphs, a new concept of organic homo‐rank compounds was proposed. Based on this concept, compounds can be classified into new groups other than the traditional homologues. Furthermore, novel structure–property relationship approach named as homo‐rank compounds method can be developed. The feasibility of homo‐rank compounds method was explored by estimating the enthalpy of formation of organic compounds. The group contribution index (GCI_X) and group polarizability potential index (GPI_X) of substituents X were defined and determined for mono‐substituted alkanes RX (X includes 20 substituents). The research results show that the enthalpies of formation of organic homo‐rank compounds and their isomers can be correlated very well with the parameters GCI_X and GPI_X. Combining the method of homologues with that of homo‐rank compounds, a general and simple quantitative correlation equation (8) was established to estimate the enthalpy of formation for RX, and the calculation precision is within the chemical accuracy ‘1 kcal/mol’. For 242 samples of RX, the average absolute deviation between the experimental and the calculated values is 2.42 kJ/mol. In addition, the enthalpies of formation of more than 2800 samples of RX were estimated. The approaches of organic homo‐rank compounds and organic homologues are independent of but complementary to each other. The combination of these two methods can help us to understand the organic molecular structure–property relationships more deeply, and to investigate these relationships more conveniently and accurately. Copyright © 2015 John Wiley & Sons, Ltd.     

地质样品中有机物的超临界萃取研究

建立了以CO2为超临界流体的超临界萃取地质样品中有机物的分析方法,讨论和优化了超临界萃取条件,测定了茂名油页岩中的n-C13-n-C34,并与索式抽提结果作了对比,该方法测定茂名油页岩中的n-C15-n-C34链烷烃,相对标准偏差为（n=4)4.9%-23.8%,n-C13的相对标准偏差为9．2％（n=4),而传统经黄的索式抽提法测得的n=C15-n-C34链烷烃的相对标准偏差为11．2％－37．7％（n=4),n-C13的相对标准偏差为46．4％（n=4),本法与传统方法相比,具有高效,无热降解,无毒,选择性好,精密度好等优点,可直接用于GC,GC－MS的测定。