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四川轻化工学院学报 2004年第2期17卷 39-42页

作者：王奇刘信安重庆大学化学化工学院重庆400044

利用Cygwin,将Linux和Unix操作系统下的量子化学并行计算程序移植到运行Windows操作系统的集群环境中,实现了Windows集群中的量子化学并行计算。文章给出了具体的移植实例和计算实例。

关键词：并行计算 GAMESS Cygwin 集群

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硫酸氢钾催化合成环己烯

天然气化工—C1化学与化工 2004年第1期29卷 70-72页

作者：牛梅菊崔庆新窦建民聊城大学化学化工学院山东聊城252059

研究了硫酸氢钾催化环己醇脱水制备环己烯的反应,考察了催化剂用量、反应温度、反应时间对脱水反应的影响。结果表明:在催化剂用量为环己醇质量的15%,油浴温度180～190℃,反应2 5h,环己烯产率达75 6%,纯度为97 1%,催化剂可重复使用。

关键词：硫酸氢钾催化环己烯

New Synthetic Strategies for Unique Functional Inorganic Nanostructures and Hybrid Nanomaterials and Their Applications

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New Synthetic Strategies for Unique Functional Inorganic Nan...

13th Asian chemical Congress

作者： Haiwei Liang Mingrui Gao Bo Hu Shu-Hong YU~* Division of Nanomaterials & chemistry Hefei National Laboratory for Physical Sciences at Microscale Department of chemistry university of Science and technology of china Hefei 230026 china.

＜正＞Development of new synthetic strategies for unique functional nanostructures has attracted a lot of ***,we will report several facile synthetic protocols for one-pot controlled synthesis of several kinds of unique inorganic nanomaterials and hybrids under mild solution conditions,in which simple organic molecules,surfactant or low molecular weight polymers have been *** unique

关键词： nanostructures inorganic-organic hybrid synthesis functionality

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甲醇直接气相羰基化反应动力学

燃料化学学报 2001年第6期29卷 570-573页

作者：彭峰沈秋英华南理工大学化学工程系广东广州510640

A novel heterogeneous sulfided Mo/C catalyst was used for the direct vapor phase carbonylation of methanol Experiments were designed with the elimination of mass transfer resistances to obtain data The data of primary reactions in the carbonylation were collected via a differential tubular reactor Feed composition was varied to examine the effect of partial pressures of reactants on the reaction rate Power law rate models were employed to express the conversion of methanol and the formations of methyl acetate and methane Adequate results were obtained with the models to represent the experimental data The reaction orders of methyl acetate formation with respect to methanol and CO were found to be 1 2 and 0 35 respectively on the novel Mo/C catalyst, and the reaction activation energy was 106?kJ/mol At the same time, the reaction mechanism of direct vapor phase carbonylation of methanol was presented The initial step of this reaction was suggested to be the cleavage of methanol to form CH + 3 M, followed by adsorbed CO insertion into the metal methyl bond to form CH 3C(O) + M, which further interacts with methanol to form methyl

关键词：甲醇气相羰基化催化剂动力学钼乙酸甲酯

PET and FCS study in kinetics of H/ACA RNP

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PET and FCS study in kinetics of H/ACA RNP

第一届全国生物物理化学会议暨生物物理化学发展战略研讨会

作者： Xin-Xing Yang~(§1),Jing-Qi Duan~(§2),Ye-Ke Qiong~2,Xin-Sheng Zhao~(*1) 1 State Key Laboratory for Structural chemistry of Unstable and Stable Species,and Department of chemical Biology,college of chemistry and Molecular engineering,Peking university,Beijing,100871, china 2 National Institute of Biological Sciences,Beijing 102206,china§The authors contributed equally to this work

＜正＞H/ACA RNP（ribonucleoprotein complex） containing H/ACA RNA,Cbf5,Nop10,L7Ae,and Gar1 can guide site-specific conversion of uridine into pseudouridine in cellular *** crystal structures of H/ACA RNP with and with...

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Effects of Redox Regulation on Metabolic Flux of Klebsiella pneumoniaea

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Effects of Redox Regulation on Metabolic Flux of Klebsiella ...

第六届化学工程与生物技术展览暨会议

作者： Yanping Zhang,Chenyu Du,Zhi Rao,Zhu''an Cao (Institute of Biochemical engineering,Department of chemical engineering,Tsinghua university,Beijing,100084,P.R.china)

＜正＞ 1,3--propanediol （1,3-PD） was widely used as solvents, adhensives, laminates: resins, detergents, andcosmetics, particularly as a monomer of PTT（polytrimethylene terephthalate）. According to the researchresults of CONDUX （USA）, a consulting company, the production capability of PTT will be increased toone million t/a in 2010. Biotransformation of 1,3-PD attracted much attention recently.

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PREPARATION AND MECHANICAL PROPERTIES OF ELECTRICAL CONDUCTIVE POLYANILINE COMPOSITES

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PREPARATION AND MECHANICAL PROPERTIES OF ELECTRICAL CONDUCTI...

作者： Qiu Jianhui, Feng Huixia, Nie Furong, Huang Yudong, Pan Yubai Department of Machine Intelligence and Systems engineering, Faculty of Science and technology, Akita Prefectural university, 84-4 Tsuchiya-Ebinokuchi, Honjyo, Akita, 015 -0055 Japan college of Petrochemical technology ,LanZhou university of technology, Lanzhou 730050, china Department of Applied chemistry, Faculty of Science, Harbin Institute of technology, china High Performance Ceramics Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Ding-xi Road, Shanghai 200050, china

＜正＞Polyaniline/Attapugite/PE （ PAn-ATTP/PE） composites were obtained via the two-step blending processs. It contains particles with core-shell structure. The experimental condition is: Organo-attapulgite and PAn was obtained by modifying attapulgite with laury benzenesulfonic acid sodium salt and, then added to PE. The electrical conductivity, structure and Properties of the composites were studied. Under the function of shear stress, core-shell structure particles with ATTP as the core and PAn as the shell were formed in the composites. The structure of PAn-ATTP/PE composites were characterized by FTIR,XRD,SEM, etc, respectively. The effects of concentration of doping agent on the conductivity and mechanical property of the composites were investigated in this paper. The mechanical properties and impact fracture surface of the ternary composites were studied by means of the tensile tester, SEM, etc. The results show that polyaniline encapsulated ATTP makes for enhancing the strength of the PE. It was found that the conductivity of PAn-ATTP/PE composites of is improved effectively when polyaniline encapsulated ATTP is added. The composites is good conductivity when its content is 10%.

关键词： Core-shell structure Polyaniline Attapugite Composites

EVIDENCE　FOR　AROMATIC　sp^2　C－H…O＝C　INTRAMOLECULAR　INTERACTION　IN　PYRIDINO　AND　BENZOBENZANTHRONE　SKELETONS

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Chinese chemical Letters 1995年第5期6卷 395-398页

作者： Zeper ABLIZ (Department of chemistry, Xin Jiang university, Urumchi 830046) Hiroshi MORIYAMA and Junji AOKI (Department of chemistry, Toho university, Funabashi, Chiba 274, Japan) Toyotoshi UEDA (Department of chemistry, Meisei university, Hino, Tokyo 19

The evidence for the sp2 C-H …O=C intramolecular interaction like hydrogen bond observed from the 1H NMR signal shifted extremely to down field (δ= 10.23 ppm ) at the bay area of phenaleno[2,3-f] quinolin-13-one has been confirmed by EIMS and MS / MS(CAD ) spectroscopy and IR spectroscopy, as well as MNDO-PM3 calculations.

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去除天然CO_2气油味的吸附净化研究

天然气化工—C1化学与化工 2002年第4期27卷 7-10页

作者：牛刚黄玉华王经上海交通大学机械与动力工程学院上海200030 大连理工大学化工学院大连116000

对含有少量矿物油 (C3 ～C5烃 )的CO2 气进行了吸附净化实验研究 ,比较了 5A分子筛、13X分子筛、活性炭 3种吸附剂的吸附效果 ,以及活性炭在不同压力下的吸附效果。结果表明 :活性炭的吸附效果最好 ,13X分子筛次之 ,5A分子筛较差 ;随着... 详细信息

对含有少量矿物油 (C3 ～C5烃 )的CO2 气进行了吸附净化实验研究 ,比较了 5A分子筛、13X分子筛、活性炭 3种吸附剂的吸附效果 ,以及活性炭在不同压力下的吸附效果。结果表明 :活性炭的吸附效果最好 ,13X分子筛次之 ,5A分子筛较差 ;随着压力的升高 ,活性炭的吸附能力随之增加 ;

关键词： CO2 吸附净化实验研究矿物油杂质

肉芝软珊瑚Sarcophytonsp中次生代谢产物的研究

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分析测试学报 2004年第3期23卷 13-17页

作者：刘虹苏镜娱曾陇梅杨小平中山大学化学化工学院中山大学医学院肿瘤研究所广东广州510060

从中国海南岛三亚附近海域采集的肉芝软珊瑚Sarcophytonsp中 ,分离得5个结晶化合物。通过化学和波谱方法鉴定出他们的结构分别是 :24_亚甲基胆甾_1α,3β,5α,6β_四醇 (1) ;24_亚甲基胆甾_4_烯_3β,6β_二醇(2) ;2_十六碳酰胺基_十八_4... 详细信息

从中国海南岛三亚附近海域采集的肉芝软珊瑚Sarcophytonsp中 ,分离得5个结晶化合物。通过化学和波谱方法鉴定出他们的结构分别是 :24_亚甲基胆甾_1α,3β,5α,6β_四醇 (1) ;24_亚甲基胆甾_4_烯_3β,6β_二醇(2) ;2_十六碳酰胺基_十八_4(E),8(E)_二烯_1,3_二醇 (3) ;(2S,3S,5R)_2_十六碳酰胺基_十八_1,3,5_三醇(4) ;柳珊瑚甾醇(5)。生理活性试验表明 ,化合物1对人体鼻咽癌(CNE2)和胃癌(MGC_803)细胞有强抑制活性 ;化合物2对P_388肿瘤细胞有强抑制活性 ;柳珊瑚甾醇(5)

关键词：肉芝软珊瑚甾醇神经酰胺细胞毒性核磁共振质谱