白石湖煤液化粗油加氢精制过程硫、氮化合物转化规律

采用实沸点蒸馏仪对白石湖煤液化油进行馏分切割,切取<170℃液化粗油进行加氢精制脱除其中硫、氮化合物,采用硫化学发光气相色谱仪（GC-SCD）、氮化学发光气相色谱仪（GC-NCD）对液化粗油和精制油中硫、氮化合物进行分析表征,研究加氢精制过程硫、氮化合物的转化规律。结果表明,液化粗油中含硫化合物主要是噻吩类化合物和硫醇,经过加氢精制后基本消失,苯并噻酚类化合物脱除比例要低于噻吩类化合物,属于较难脱除含硫化合物。液化粗油中含氮化合物主要是苯胺类化合物,其次是吲哚类化合物,经过加氢精制吲哚类化合物全被脱除,苯胺和喹啉类化合物属于碱性含氮化合物,是精制油中残留的主要含氮化合物,含量达1.61 mg/kg。     

某些结构受阻氧鎓盐的吸收和荧光

氧锅盐是一类带正电行的杂环化合物，作为一种合成中间体，氧锅盐在有机合成方面已得到广泛的应用［’］近年来人们对其发光和光谱性质的研究也给予足够的注意．这是由于很多氧锅盐化合物有着很强的荧光发射【’J，并且其中有些已被用作激光染料出或Q一开关材料卜1由于氧钠盐强烈的亲电特性，因而它在聚乙烯咋哇电照相体系中也受到特殊的注意，即通过它来捕获电子和诱导分子内正空穴向负电极方向迁移问染料分子的刚性化对激发分子的弛豫过程往往会带来巨大的影响，如非刚性化分子会通过分子内自由旋转使分子在激发态的弛豫过程中形成不同的…     

Agostic bonds in cyclometalation

Cyclometalation reactions proceed very easily with one step reaction between metal compounds and substrates having a heteroatom such as O, S, N, P and As. However, under mild reaction conditions, many agostic compounds which are intermediates in these cyclometalation reactions, can be isolated. The metal compounds used for the formation of these agostic intermediates are both transition metal and main group metal compounds. The substrates are nitrogen-containing compounds, phosphorus-containing compounds, oxygen-containing compounds and sulfur-containing compounds. These agostic intermediates are mainly δ-C-H agostic compounds, some are γ-C-H agostic compounds and very few are ?-C-H-agostic compounds. The agostic intermediates are prepared, usually, under mild reaction conditions in the cyclometalation reaction. These agostic compounds are also prepared from cyclometalation reaction products, e.g., by the protonation, irradiation, and elimination of ligand molecules by vacuum, inert gas current, dehydration with a molecular sieves 4A, etc. Some agostic compounds are utilized for preparation of stable catalysts, e.g., hydrogenation catalysts.     

某些结构受阻氧鎓盐的吸收和荧光

A series of pyrylium compounds with different structures have been synthesized. The photophysical behavior of these compounds has also been measured. Results show that the structures of compounds and the polarities of solvents make great effects on the photophysical behaviors of compounds, especially when the structures of compounds are hindered. It indicats that the intramolecular rotation relaxation of compounds in excited state in closely related to the fluorescence quantum yields of compounds.     

含氧、氮、硫杂螺环结构的光致变色化合物研究进展

有机螺环光致变色化合物具有较好的化学稳定性、光敏性和抗光疲劳性, 可应用于光过滤器及光学记录存储. 为了获得性能优良的螺环光致变色化合物, 新的设计合成一直是该领域研究的热点. 总结了对含氧、氮、硫杂螺环结构的光致变色化合物的研究进展, 描述了螺环化合物的结构特征和部分化合物的合成过程, 展望了螺环光致变色化合物的发展前景.     

Lead validation and SAR development via chemical similarity searching; application to compounds targeting the pY+3 site of the SH2 domain of p56lck

Compound selection based on chemical similarity has been used to validate active "parent" compounds identified via database searching as viable lead compounds and to obtain initial structure-activity relationships for those leads. Twelve parent compounds that have inhibitory activity against the SH2 domain of the p56 T-cell tyrosine kinase (Lck) are the focus of this study. Lck is involved in the T-cell mediated immune response, and inhibitors of Lck protein-protein interactions could potentially be used to develop novel immunosuppressants. Similarity searches for each parent compound were performed using 2D structural fingerprints on a database containing 1,300,000 commercially available compounds. The inhibitory activity of the selected compounds was assessed using enzyme immunoassay (EIA). In general, the most active parent compounds yield the most high activity similar compounds; however, in two cases low activity parent compounds (i.e. inhibitory activity < 25% at 100 microM) yielded multiple similar compounds with activities > 60%. Such compounds may, therefore, be considered as viable lead compounds for optimization. Structure-activity relationships were explored by examining both ligand structures and their computed bound conformations to the protein. Functional groups common to the active compounds as well as key amino acid residues that form hydrogen bonds with the active compounds were identified. This information will act as the basis for the rational optimization of the lead compounds.     

Synthesis, Chemistry, and Applications of Heterocyclic Cage Compounds (V)

The synthesis and chemistry of polycyclic of cage compounds have attracted considerable attention in recent years. The vast majority of the work reported in this area has dealt with carbocylic cage compounds. On the other hand, the synthesis and chemistry of heterocyclic cage compounds have received less attention. Recently, we envisioned that studies on the synthesis and chemistry of heterocyclic cage compounds can greatly expand the scopes and utilities of cage compounds.1 As part of a program that involves the synthesis, chemistry, and application of heterocyclic cage compounds, we report here the synthesis of new thia-oxa-cage compounds and the chemical nature of these thia-cages.     

多功能光致变色化合物

有机光致变色化合物是一种新型有机功能化合物,可广泛应用于光存储、光开关和光转换器件等领域,本文综述近几年来双光致变色化合物体系及具有荧光性能、磁性能等多功能光致变色化合物体系的研究进展,并对有机光致变色化合物的研究应用做了展望。     

Synthesis,Chemistry and Applications of Heterocyclic Cage Compounds (V)

The synthesis and chemistry of polycyclic cage compounds have attracted considerable attention in recent years.¹ The vast majority of the work reported in this area has dealt with caybocyclic cage compounds. On the other hand, the synthesis and chemistry of heterocyclic cage compounds have received less attention. Recently, we have accomplished the synthesis of a series of oxa-cage compounds and performed the chemical transformations of these oxa-cage compounds.² As part of a program that involves the synthesis,chemistry and applications of heterocyclic cage compounds we report here the synthesis of heterocyclic cage compounds 1-12. We also wish to report the applications of compounds 7-12 on the π-facial selectivities. Studies on the cation-binding properties of compounds 1 and 2 and other oxa-cages are undertaken.     

Comparative study of carbon nanotubes and C(60) fullerenes as pseudostationary phases in electrokinetic chromatography

The use of carbon nanostructures in different modalities is a topic of growing interest. This article provides a systematic comparison of surfactant-coated single-wall carbon nanotubes, multi-wall carbon nanotubes and C(60) fullerenes as pseudostationary phases (PSPs) in electrokinetic chromatography. The differences on the electrophoretic behaviour as a function of the pseudostationary phase for phenolic compounds, triazines and nitroimidazole derivatives have been explored. Phenolic compounds, triazines and nitroimidazole derivatives has been selected as model compounds of aromatic compounds, pi-exceeding heteroaromatic compounds and pi-deficient heteroaromatic compounds, respectively. Resolution was also evaluated on the basis of the differences in the electrophoretic behaviour and in this sense the best PSP for each group of compounds can be proposed.     

Dinitroso and polynitroso compounds

The growing interest in the chemistry of C-nitroso compounds (RN=O; R = alkyl or aryl group) is due in part to the recognition of their participation in various metabolic processes of nitrogen-containing compounds. C-Nitroso compounds have a rich organic chemistry in their own right, displaying interesting intra- and intermolecular dimerization processes and addition reactions with unsaturated compounds. In addition, they have a fascinating coordination chemistry. While most of the attention has been directed towards C-nitroso compounds containing a single -NO moiety, there is an emerging area of research dealing with dinitroso and polynitroso compounds. In this critical review, we present and discuss the synthetic routes and properties of these relatively unexplored dinitroso and polynitroso compounds, and suggest areas of further development involving these compounds. (126 references.).     

Adsorbed compounds on pine needle surfaces for the environmental monitoring of uranium

In order to examine the feasibility of the adsorbed compounds on the pine needles for environmental monitoring of uranium, the adsorbed compounds were recovered by solvent washing, and the elemental concentrations in the compounds were compared with those of air particles and pine needles. It was found, that the concentration patterns of elements in the compounds corresponded to those of air particles, which meant that the air particles were the main components of the compounds. The analysis by ICP-MS suggested that the uranium in the compounds has a natural composition. Therefore, the adsorbed compounds to the pine needles can be considered as potential indicators for the environmental monitoring of uranium.     

GC FPD method for the simultaneous speciation of butyltin and phenyltin compounds in waters

A method is described for the simultaneous determination of nanogram amounts of mono-, di- and tri-butyltin compounds in water. The procedure is based on the conversion of tin compounds to volatile species by Grignard pentylation and analysis using GC with flame photometric detection (GC FPD). The ionic compounds are extracted from diluted acidified (HBr) aqueous solutions by using a pentane-tropolone solution. The extracted organotin compounds are pentylated by a Grignard reagent and purified on a Fluorisil column before analysis by GC FPD. The detection limits are 20 ng dm^?3 for butyltin compounds and 50 ng dm^?3 for phenyltin compounds. Recoveries from spiking experiments in tap-water and natural seawater matrices, in which no organotin compounds were detected, were greater than 90% for most of the alkyltin compounds.     

TRIMETHYLAMMONIUM CHLOROCHROMATE ADSORBED ON ALUMINA AS A NEW REAGENT FOR THE CLEAVAGE OF OXIMES AND P-NITROPHENYLHYDRAZONES

Derivatives of carbonyl compounds such as oximes and p-nitrophenylhydrazones have played an important role in the protection of carbonyl compounds,as they are highly crystalline and stable compounds. They are also very extensively used for the characterization and purification of carbonyl compounds. Regeneration of carbonyl compounds from their derivatives under mild condition is an important process in synthetic organic chemistry.     

钒化合物抗糖尿病作用的研究进展*

在糖尿病的治疗研究中,体内和体外的研究表明,钒化合物可以降低I型和II型糖尿病血糖,促进葡萄糖转运和糖原合成,具有“类胰岛素作用”。本文综述了近年来钒化合物在降低和改善糖尿病症状的生物效应及其通过胰岛素信号通路在降糖作用的分子机制的研究进展。     

Tautomeric structures, electronic spectra, acid-base properties of some 7-aryl-2,5-diamino-3(4-hydroxyphenyazo)pyrazolo[1,5-a]pyrimidine-6-carbonitriles, and effect of their copper(II) complex solutions on some bacteria and fungi

Infrared and electronic spectra were used to investigate the tautomerism of some azo compounds, in both the solid and solution states. It was found that the compounds exist in azo<==>hydrazone tautomeric equilibrium in solid and in solutions. The different bands displayed in the electronic spectra of the compounds in various organic solvents are assigned to the suitable electronic transitions. The solvatochromic behavior of the compounds was investigated by studying their visible spectra in pure and mixed organic solvents. DeltaG and formation constant, Kf, values of the molecular complexes formed in solution have been determined. Effect of concentration of the compounds in DMF and EtOH solutions has been investigated. The basicity and acidity constants of the different compounds were determined from the spectra of these compounds in aqueous-ethanolic solutions of varying pH values. Some complexes of copper(II) with these compounds in solution were tested as for their antibacterial and antifungal activity.     

Visualization and interpretation of high content screening data

High content screening is a method for identifying small molecule modulators of mammalian cell biology. The nature of the experiment generates an enormous amount of data in the form of photographic images of cells after treatment with compounds of interest. The interpretation of data from these experiments is challenging both in terms of automatically perceiving the images, extracting, and understanding differences between screened compounds and visualizing the results. This paper discusses the application of statistical and visual methods that have been used to interpret data from a simplified DNA stain (DAPI) screen to quickly identify compounds of interest. An understanding of the mechanism of action of the screened compounds can be obtained by comparing them to control compounds of known mechanism of action. Statistical and visual methods will be shown that facilitate easy comparison of screened compounds against these control compounds. As an example, a subset of the internal repository at ArQule was screened, together with control compounds that were known to induce characteristic mitotic arrest. Subsequent data processing described in this paper permitted the easy identification of compounds that were similar to (and very different from) the control compounds.     

Detection of 28 neurotransmitters and related compounds in biological fluids by liquid chromatography/tandem mass spectrometry

This work presents two liquid chromatography/tandem mass spectrometry (LC/MS/MS) acquisition modes: multiple reaction monitoring (MRM) and neutral loss scan (NL), for the analysis of 28 compounds in a mixture. This mixture includes 21 compounds related to the metabolism of three amino acids: tyrosine, tryptophan and glutamic acid, two pterins and five deuterated compounds used as internal standards. The identification of compounds is achieved using the retention times (RT) and the characteristic fragmentations of ionized compounds. The acquisition modes used for the detection of characteristic ions turned out to be complementary: the identification of expected compounds only is feasible by MRM while expected and unexpected compounds are detected by NL. In the first part of this work, the fragmentations characterizing each molecule of interest are described. These fragmentations are used in the second part for the detection by MRM and NL of selected compounds in mixture with and without biological fluids. Any preliminary extraction precedes the analysis of compounds in biological fluids.     

Review: Separation and Pharmacology of Chiral Compounds in Traditional Chinese Medicine

More than 60% commonly used pharmaceutical active ingredients are chiral compounds. Developing more effective and safe chiral compounds has become a focus in the pharmaceutical industry. Chiral compounds widely exist in traditional Chinese medicine and include alkaloids, flavonoids, volatile oils, and amino acids. The characterization of chiral compounds used in traditional Chinese medicine remains limited. Here, the characterization of chiral compounds commonly used in traditional Chinese medicine is reviewed focusing upon their separation and pharmacology.     

Recent developments in the non-cyclopentadienyl organometallic and related chemistry of scandium

Up to the early to mid 1990s the organometallic chemistry of scandium was dominated by cyclopentadienyl derivatives. This present article highlights advances in the synthesis and reactivity of non-cyclopentadienyl organometallic and related compounds of scandium. These include: compounds containing arene and other eta(x)-CxRx ligands; compounds with macrocyclic and fac-L3 ligands; compounds with polydentate ligands that incorporate amide donors; compounds with bidentate, monoanionic N,N' donor ligands; and compounds with iminophenolate, bis(phenoxide) and some other anionic O-donor ligands.