ACTA PHYSICO-CHIMICA SINICA Scope of the Journal

1)THERMODYNAMICS,KINETICS,AND STRUCTURAL CHEMISTRY(chemical equilibrium and thermodynamic parameters,calorimetry,nonequilibrium thermodynamics and dissipative structure,statistical thermodynamics,macrokinetics,molecular dynamics,ultrafast dynamics,excited states,solution chemistry,complex fluids,solution structure,atmospheric chemistry,dynamic structure,molecular structure,bulk structure,clusters,spectroscopy)2)THEORETICAL AND COMPUTATIONAL CHEMISTRY(quantum chemistry,statistical mechanics.simulation methods and application,computational chemistry,chemical informatics)     

Multivalent metal–sulfur batteries for green and cost-effective energy storage: Current status and challenges

Multivalent metal-sulfur(M-S,where M=Mg,Al,Ca,Zn,Fe,etc,) batteries offer unique opportunities to achieve high specific capacity,elemental abundancy and cost-effectiveness beyond lithium-ion batteries(LIBs).However,the slow diffusion of multivalent-metal ions and the shuttle of soluble polysulfide result in impoverished reversible capacity and limited cycle performance of M S(Mg-S,Al-S,Ca-S,Zn-S,Fe-S,etc.) batteries.It is a necessity to optimize the electrochemical performance,while deepening th...     

蒙古蒿精油化学成份的研究I.

The chemical constituents of the essential oil from the leaves of artemisia mongolica Fisch. were separated by gas chromatography employing glass capillary eolumns and identified by GC-MS-COM. 30 components have been separated and identified, i.e. 2-methyl-2-butene, methylene cyclopentane, 7,7-dimethyl-3-methylen-bicyclo-(3, 1, 1) heptane, α-thujene, α-pinene, camphene, 1-octen-3-o1, β-thujene, β-pinene, α-phellandrene, bornylene, p-cymene, terpinen-1-o1, artemisia ketone, γ-terpinene, β-terpineol, 3,7,7-trimethyl-bicyclo-(3, 1,1)-2-heptanol, α-terpinolene, verbenone, linalool iso-thujone, thujone, camphor, isopulegone, isoborneol, terpinen-4-o1, α-terpineol, myrtenol, trans- carveol, cis-carveol.     

生物综合工業(微生物工業)(中)

第二、培養基的條件培養基的功用,一方面是供给菌種生长的需要,另一方面是供给菌種综合产品的原料。其成分可分为两類:第一類为炭水化物,如糖飴,玉黍粉,麥粉,馬鈴薯,紙漿废液,葡萄糖等。這些是酒精,丙酮戊醇,构椽酸,酵母等工業的重要原料。其功用是供给微生物生长的能(Energy)。第二類成分是蛋白性的材料如酪素,玉黍浆(Corn steep)粟米,蛋清,鱼肉,肉膏,蛋白脒,     

电感耦合等离子体发射光谱法(ICP-AES)测定黑豆和红小豆中15种元素

采用ICP—AES法同时测定黑豆和红小豆中Na,Sn,Ca,Zn,Cu,Mg,Al,Fe,P,K,Si,Se,Ba,Mn,M015种元素含量,并对各元素进行了加标回收实验,黑豆和红小豆中各元素的平均回收率在93．11％～102．15％,相对标准偏（RSD）在0．83％0～2．8％,检出限介于0．11～14．09Fg／L。建立了简便、快速、准确和稳定的测定黑豆和红小豆中元素的测定方法。结果显示在黑豆和红小豆中K,Ca,P,Mg,Mn,Fe,Zn等常量元素和微量元素含量较高。红小豆中Ca,Mg,Fe,Zn等营养元素的含量较黑豆中的高。     

粒径分布对水焦浆性质的影响

分析研究了不同粒径分布的石油焦成浆性及制备水焦浆的流变性和稳定性。结果表明,石油焦的成浆性较好,成浆浓度近70%,浆体的表观黏度均随浓度的增大而增大。粒径分布越宽,越有利于堆积,堆积效率越高,可制浆浓度越高,制备水焦浆的最佳药剂量越低,采用萘系分散剂制备的水焦浆呈胀塑性流型,粒径分布越宽,胀塑性越弱,利用静置观察法与Turbiscan Lab稳定性分析仪测定相结合评价水焦浆的稳定性,水焦浆的稳定性差,且粒径越大,析水率越低,沉降区的焦粉颗粒越易发生聚结,底部越易产生硬沉淀,稳定性越差。颗粒聚结是水焦浆稳定性的主要影响因素。     

气相色谱用氦直流等离子体离子化检测器的研究

报道三种不同类型的气相色谱用氦直流等离子体离子化检测器。以氦气为载气和工作气体, 白金电极为放电电极, 通过测量检测器的工作参数, 考察了检测器对H2, O2, Ar, N2, CH4, CO, CO2等永久气体的响应特性及分析性能, 并应用于实际样品分析。对检测器的离子化机理进行了研究和探讨。     

河南大学化学化工学院简介

河南大学化学化工学院是河南大学成立较早、规模较大的院系之一,始建于1923年,重建于1959年,时称化学系,Ig85年设立工科,1989年改称化学化工系,1995年更名为化学化工学院。学院现有教职工111人,其中国务院特殊津贴获得者1名,省优秀专家2名,校特聘教授4名,博士生导师6名,硕士生导师71名,教授、副教授67名,具有博士学位教师48G。     

Synthesis and structure-insecticidal activity relationship of novel phenylpyrazole carboxylic acid derivatives containing fluorine moiety

A series of novel phenylpyrazole carboxylic acid derivatives containing fluorine moiety,i.e.,diamides 11,simple aryl-bearing amides 12 and acylthioureas 14 were successfully synthesized based on the key fluo ro-containing phe nylpyrazole acid intermediate.The new compounds were identified and confirmed by melting point,1H NMR,13C NMR and elemental analysis or HRMS.The bioassay results indicated that some of the compounds possessed excellent insecticidal activities towards oriental armyworm,diamondback moth and corn borer at low concentrations.For examples,compounds 11a,11e-g and 14b exhibited remarkable larvicidal activities with LC50 values of 0.13-0.39 mg/L and 0.0002-0.0014 mg/L against oriental armyworm and diamondback moth,respectively,were comparable with those of the control chlorantraniliprole.Particularly,lie were found superior to chlorantraniliprole in oriental armyworm tests(LC50:0.23 mg/L vs.0.26 mg/L);11a,lie,11f and 14c in diamondback moth tests with LC50 values of 0.0002 mg/L,0.0002 mg/L,0.0008 mg/L and 0.0005 mg/L,respectively,we re more effective than that of chlorantraniliprole.In addition,12 a also showed a promising insecticidal potential and development/optimization advantage.Compounds 11a,lle-g,12a,14b and 14c could be considered as possible new leading structures for further study.The SAR investigation indicated that the compounds with fluorine motif(e.g.,-F,-CF2H,-CF3)held apparently favorable insecticidal potentials,which provided useful guidance for further design/development of new phenylpyrazole-containing agrochemicals.     

Synthesis and Crystal Structure of a N,N,N＇-tri（2-hydroxy-5-methylbenzyl）-l,2-ethanediamine

An aminophenol ligand, N,N,N＇-tri（2-hydroxy-5-methylbenzyl）-l,2-ethanediamine, was prepared through the Marmich reaction, and structurally characterized by NMR, IR, MS and single-crystal X-ray diffract...     

邻苯二酚双苯醚的合成与抑菌活性研究

以硝基氯苯和羟基二苯醚为底物合成了6个硝基邻苯二酚双苯醚类化合物、6个氨基邻苯二酚双苯醚类化合物和6个羟基邻苯二酚双苯醚类化合物,所有这些新化合物的结构经元素分析、红外光谱、质谱及1H NMR确证.并研究了它们的抑菌活性,初步生物活性测试表明硝基、氨基芳醚类化合物的抑菌或杀菌活性较差,而羟基芳醚类化合物却有强的抑菌能力.     

Analysis of compounds of environmental concern: II. Diphenyl ethers

Nineteen halogenated and/or nitrated diphenyl ethers (currently listed in EPA Method 8111) have been separated on a DB-5/ DB-1701 column pair connected to an inlet splitter and separate electron capture detectors. Retention times are included for 10 additional compounds evaluated for their suitability as internal standards or surrogate compounds for incorporation into Method 8111. Method reproducibility and linearity are discussed, and results are presented for extracts of two real samples spiked with the 19 diphenyl ethers and analyzed using the dual-column dual-detector arrangement.     

Comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry for the identification of organobrominated compounds in bluefin tuna

This study evaluates comprehensive two-dimensional gas chromatography (GC×GC) coupled to time-of-flight mass spectrometry (GC×GC-ToF MS) for the simultaneous analysis of several classes of organobromines (OBs), including polybrominated diphenyl ethers (PBDEs), polybrominated biphenyls (PBBs), methoxylated PBDEs (MeO-PBDEs), several halogenated naturally produced compounds (HNPs) and eight novel brominated flame retardants (NBFRs), polybrominated hexahydroxanthene derivates (PBHDs), 2,4,6-tribromoanisole and a mixed halogenated compound (MHC-1), in bluefin tuna muscles. The proposed methodology maximised separation of both within and among OB families, and among these and other halogenated micropollutants detected in these samples and co-extracted matrix components. Special attention has been paid to solve co-elution problems observed during the analysis of OBs with one-dimensional GC-based techniques. Satisfactory separation among several relevant PBDEs and MeO-PBDEs has been obtained allowing their unambiguous determination in a single run. Additional studies were conducted to identify selected NBFRs and HNPs. 2,4-Dibromoanisole, a dibromophenol isomer and hexabromobenzene were identified in the investigated samples. Several new tri- and tetra-BHD derivates were also identified, indicating that these compounds could apparently exist as structured families in nature. In addition, a tetrabrominated diMeO-biphenyl and two tetrabrominated diMeO-BDEs were also tentatively identified.     

Speciation and biosynthetic variation in four dictyoceratid sponges and their cyanobacterial symbiont, Oscillatoria spongeliae

Four species of marine sponges (Phylum Porifera, Order Dictyoceratida), which contain the filamentous cyanobacterial symbiont Oscillatoria spongeliae, were collected from four locations in Palau. The halogenated natural products associated with the symbiont were characterized from each sample, revealing that each species contained either chlorinated peptides, brominated diphenyl ethers, or no halogenated compounds. Analysis of the host sponges and the symbionts indicated that each species of sponge contained a distinct strain of morphologically similar cyanobacteria. Although cospeciation may be present in this group, we have identified that at least one host switching event has occurred in this symbiosis. Only the strain of O. spongeliae in the sponge containing the chlorinated compounds possessed genes involved in the biosynthesis of chlorinated leucine precursors, indicating that the chemical variation observed in these animals has a genetic foundation.     

Preparation of new halogenated diphenyl pyrazine analogs in Escherichia coli by a mono-module fungal nonribosomal peptide synthetase from Penicillium herquei

Pyrazines are important structures widely found in many known drugs. The biological approaches for their synthesis were poorly applied. Herein, microbial production of several halogenated diphenyl pyrazines is reported. These compounds are accumulated via feeding corresponding precursor analogs to Escherichia coli expressing a fungal non-ribosomal peptide synthetase HqlA. Substrate specificity of HqlA was also determined by comparing substrate incorporation efficiencies. HqlA requires a C4-hydroxyl in the substrate and can tolerate certain degrees of size change on the substitution at the carbon next to the hydroxyl group.     

Na2S还原法合成氨基二苯醚类化合物

氨基二苯醚不仅自身具有良好的杀菌、杀虫功效,广泛地应用到医药及农业领域。一般通过还原硝基二苯醚得到,但现有制备方法存在一些问题。Na2S作为一种较成熟的还原剂,价格低廉,反应后生成的Na2S2O3可作化工原料。本文用Na2S作为还原剂,合成路线如下：     

新型溴代羟基二苯醚的合成及抑菌活性研究

设计并合成了10个新的溴代羟基二苯醚, 所有这些化合物的结构均经过¹H NMR, MS, IR和元素分析所证实. 新化合物的结构避免了现有卤代2-羟基二苯醚杀菌剂在生产和使用过程中有可能生成高毒性二噁英类化合物的缺点. 选择几种有害菌对合成的溴代羟基二苯醚进行了抑菌活性检测, 证实它们对所测试菌种具有优良的抑制效果.     

Recent developments in the analysis of brominated flame retardants and brominated natural compounds

This article reviews recent literature on the analysis of brominated flame retardants (BFRs) and brominated natural compounds (BNCs). The main literature sources are reviews from the last five years and research articles reporting new analytical developments published between 2003 and 2006. Sample pretreatment, extraction, clean-up and fractionation, injection techniques, chromatographic separation, detection methods, quality control and method validation are discussed. Only few new techniques, such as solid-phase microextraction (SPME) or pressurized liquid extraction (PLE), have been investigated for their ability of combining the extraction and clean-up steps. With respect to the separation of BFRs, the most important developments were the use of comprehensive two-dimensional gas chromatography for polybrominated diphenyl ethers (PBDEs) and the growing tendency for liquid-chromatographic techniques for hexabromocyclododecane (HBCD) stereoisomers and of tetrabromobisphenol-A (TBBP-A). At the detection stage, mass spectrometry (MS) has been developed as well-established and reliable technology in the identification and quantification of BFRs. A growing attention has been paid to quality assurance. Interlaboratory exercises directed towards BFRs have grown in popularity and have enabled laboratories to validate analytical methods and to guarantee the quality of their results. The analytical procedures used for the identification and characterization of several classes of BNCs, such as methoxylated polybrominated diphenyl ethers (MeO-PBDEs) (also metabolites of PBDEs), halogenated methyl or dimethyl bipyrroles (DBPs), are reviewed here for the first time. These compounds were generally identified during the routine analysis of BFRs and have received little attention until recently. For each topic, an overview is presented of its current status.     

Characterisation of five technical mixtures of brominated flame retardants

The main components of five technical mixtures of brominated flame retardants were identified by mass spectroscopy, H-NMR, IR spectroscopy, elementary analysis, and HRGC-MS, respectively. The mixtures have been identified as: phosphoric acid bromopropylates: Bromcal P 67-6 HP; C18-alkylated bromophenols: Bromcal P 40-3; dibromopropyl-2,4,6-tribromophenyl ether: Bromcal 73-5 PE; brominated diphenyl ethers (PBrDE): Bromcal 70-5 DE; decabromodiphenyl ether: Bromcal 82-0. Gas chromatographic retention data of the various constituents were measured on standard GC columns. The data prove the interference of some of the brominated compounds with PCBs and other halogenated pesticides in HRGC using the electron capture detector.     

新型卤代二氨基三苯醚的合成

卤代氨基二苯醚类衍生物广泛用在医药、农药、染料等领域。