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含能材料 2001年第1期9卷 8-9页

作者： HU Rong zu 1, YANG De suo 2, ZHANG Jiao qiang 3. (1. Department of Chemistry,Northwest University, Xi′an 710065, china 2. Department of Chemistry and chemical engineering, Baoji {3. of Arts and Science, Baoji 721007, china 3. Department of 西北大学陕西西安 710065 宝鸡文理学院陕西 721007 西北工业大学陕西西安 710072

Two relationships are established using the least squares method,between the kinetic parameters (the apparent activation energy and pre exponential constant),and the exothermic decomposition temperature and ther... 详细信息

关键词： critical temperature of thermal explosion decomposition temperature DSC energetic materials.

Theoretical analysis of alloy multiplying factor by the empirical electron theory of solids and molecules

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Science china(Technological Sciences) 2007年第6期50卷 807-814页

作者： SONG YuePeng1,2, LIU GuoQuan2, LI ZhiLin3. FENG ChengMing1 1 Mechanical and Electronic engineering college, shandong Agricultural University, Tai’an 271018,{3. 2 college of Materials Science and engineering, University of Science and Technology, Beijing 100083.{3. 3.college of Material Science and engineering, Beijing University of chemical Technology, Beijing 100029,{3. Mechanical and Electronic engineering college Shandong Agricultural UniversityTai'an 271018China college of Materials Science and engineering University of Science and TechnologyBeijing 100083China college of Material Science and engineering Beij

By introducing the distribution probability of structural units in austenite contain- ing alloying elements and considering its effects on phase transformation, this paper establishes a calculation model of distribution probability of structural units. A new valence electron structure (VES) parameter-transformation effect coefficient of alloying elements (HL), is defined and then studied both theoretically and ex- perimentally. The relationship between the parameter HL and the multiplying factor (the quenching capability factor) of alloying elements is studied. The results indi- cate that the two parameters (HL and the quenching capability factor) have the same variation characteristic and substance feature. Therefore, the multiplying factor virtually expresses the relative quantity of structural units in the alloying elements-containing austenite.

关键词： multiplying factor (the quenching capability factor), empirical electron theory of solids and molecules, transformation effect coefficient of alloying elements, structural units in austenite containing alloying elements

Mining and Integrating Reliable Decision Rules for Imbalanced Cancer Gene Expression Data Sets

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Tsinghua Science and Technology 2012年第6期17卷 666-673页

作者： Hualong Yu 1 , Jun Ni 2 , Yuanyuan Dan 3., Sen Xu 4.1. School of Computer Science and engineering, Jiangsu University of Science and Technology, Zhenjiang 212003. china 2. Department of Radiology, Carver {4. of Medicine, The University of Iowa, Iowa City, IA 5224., USA 3. School of Biology and {3. engineering, Jiangsu University of Science and Technology, Zhenjiang 212003. china 4. School of Information engineering, Yancheng Institute of Technology, Yancheng 224.51, china School of Computer Science and engineering Jiangsu University of Science and Technology Zhenjiang 212003 China Department of Radiology Carver College of Medicine The University of Iowa Iowa City IA 52242 USA School of Biology and chemical engineering Jiangsu University of Science and Technology Zhenjiang 212003 China School of Information engineering Yancheng Institute of Technology Yancheng 224051 China

There have been many skewed cancer gene expression datasets in the post-genomic era. Extraction of differential expression genes or construction of decision rules using these skewed datasets by traditional algorithms will seriously underestimate the performance of the minority class, leading to inaccurate diagnosis in clinical trails. This paper presents a skewed gene selection algorithm that introduces a weighted metric into the gene selection procedure. The extracted genes are paired as decision rules to distinguish both classes, with these decision rules then integrated into an ensemble learning framework by majority voting to recognize test examples; thus avoiding tedious data normalization and classifier construction. The mining and integrating of a few reliable decision rules gave higher or at least comparable classification performance than many traditional class imbalance learning algorithms on four benchmark imbalanced cancer gene expression datasets.

关键词： cancer gene expression data class imbalance paired differential expression genes decision ruleensemble learning majority voting

Theoretical Study on the Molecular Orbital and Stabilization Energy of Substituted Lithium Carbene Cations

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Chinese chemical Letters 1998年第4期9卷 411-414页

作者： Ji Hai LI Sheng Yu FENG Jian Jun GAO(college of Chemisny, shandong University, jinan 250100) college of Chemistry Shandong University Jinan 250100 China

The stabilization energies of substituted lithium carbene cations were calculated by using ab initio molecular orbital theory, and the relationship between the stabilization energies and molecular orbitals was discussed. The substituents with pi donor engender strong stabilization to CH2Li+. The calculations show the Y-C* bond lengths of cations become shorter and H-Y bond lengths longer than those of corresponding neutral molecules.

关键词： ab initio molecular orbital stabilization energy lithium carbene cation engender

Selective Modification of β-Cyclodextrin on the Secondary Side 4.Preparation of Arylated β-Cyclodextrins with a Flexible Chain

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Chinese chemical Letters 1998年第1期9卷 13-16页

作者： Ai You HAO Lin Hui TONG Min ZHU (college of Chemistry, shandong University, jinan 250100)(Lanzhou Institute of {3. Physics, Chinese Academy of Sciences, Lanzhou 73.000) shandong Univ Coll Chem Jinan 250100 Peoples R China Chinese Acad Sci Lanzhou Inst Chem Phys Lanzhou 730000 Peoples R China

Mono 3.-deoxy-(N' -benzoyl-ethylenediamino)-β -CD, mono 3.-deoxy-(N' -benzimidoyl -ethylamino)-β-CD, and mono 3.-deoxy-(N' - salicylidene-ethylenediamino)- β -CD, each of which has a flexible chain that bonds the aryl moiety on the secondary side of β-CD, were prepared inthis research. The reaction processes might involve the formation of mono(2, 3.-manno-epoxide )- β -CD as an intermediate in our reaction conditions.

关键词： β-Cyclodextrin Flexible Chain

Photoinduced Electron Transfer Reaction between Poly-guanylic Acid(5') with Anthraquinone-2-sulfonate

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Chinese chemical Letters 2000年第6期11卷 527-530页

作者： Jian Hua MA Hua SHAO Si De YAO Nian Yun LIN(Department of Chemistry engineering and Technology, college of light {3. of {4., jinan 250100)(Laboratory of Radiation Chemistry Shanghai Institute of Nuclear Research, Chinese Academy of Science Department of Chemistry engineering and Technology College of Light Industry of Shandong Laboratory of Radiation Chemistry Shanghai Institute of Nuclear Research Chinese Academy of Sciences

The electron transfer reaction between triplet anthraquinone-2-sulfonate with poly-guanylic acid (5) (poly[G]) in acetonitrile-H2O has been investigated by 24. nm laser flash photolysis. The transient absorption spectra of radical cation of poly[G] and radical anion of anthraqunione-2-sulfonate (AQS) arising from electron transfer reaction has been observed simultaneously for the first time. The formation processes of radical cation of poly[G] and radical anion of anthraquinone-2-sulfonate as well as the decay processes of triplet anthraquinone-2-sulfonate have also been observed, the apparent rate constants for the formation and decay of transient species have been determined. The free energy changes in the process of the electron transfer was also calculated.

关键词： Electron transfer reaction poly[G] anthraquinone-2-sulfonate

A Highly Sensitive Kinetic Spectrophotometric System and Its Analytical Potential for Chromatographic Detection of Metal Ions

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Chinese chemical Letters 1999年第1期10卷 51-54页

作者： Xi Rong HUANG Wen Juan ZHANG Shu Hua HAN Gut Ying XU(college of Chemistry, shandong University, jinan 250100) college of Chemistry Shandong University Jinan 250100 China

Based on the inhibitory effect of metal ions on the decolourization reaction of a dye taking place in a mixed micellar medium, a differential rate method was developed for the detection of metal ions. The present kine... 详细信息

关键词： mixed micellar media decolourization reaction bromopyrogallol red metal ions inhibitor spectrophotometry method development

One-pot synthesis of crystalline SnO_2 nanoparticles and their low-temperature ethanol sensing characteristics

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Science china(Physics,Mechanics & Astronomy) 2009年第10期52卷 1601-1605页

作者： CHEN YuJin1,2,3.ZHU ChunLing4.WANG LiJiao3.& WANG TaiHong2 1 School of Materials Science and engineering,Beijing Institute of Technology,Beijing 100081,china 2 Micro-Nano Technologies Research Center,Hunan University,Changsha 4.0082,china 3.{3. of Science,Harbin engineering University,Harbin 150001,china 4.{3. of Material Science and chemical engineering,Harbin engineering University,Harbin 150001,china School of Materials Science and engineering Beijing Institute of Technology Beijing China Micro-Nano Technologies Research Center Hunan University Changsha China college of Science Harbin Engineering University Harbin China college of Material Science and chemical engineering Harbin Engineering University Harbin China

Crystalline SnO2 nanoparticles(NPs) with a diameter less than 6 nm are synthesized using potassium stannate trihydrate as the precursor in a basic *** synthesized NPs can detect ethanol at a ppm level even at 100℃.Furthermore,the NPs have good selectivity to *** excellent ethanol sensing performances are attributed to the small size effect according to the space-charge model.

关键词： SnO2 nanoparticles sensing characteristics

Synthesis and magnetic properties of CdS/α-Fe_2O_3.hierarchical nanostructures

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Science china(Physics,Mechanics & Astronomy) 2009年第7期52卷 997-1002页

作者： CHEN YuJin1,2,3. SHI XiaoLing1, CAO MaoSheng1 & ZHU ChunLing4.1 School of Materials Science and engineering, Beijing Institute of Technology, Beijing 100081, china 2 Micro-Nano Technologies Research Center, Hunan University, Changsha 4.0082, china 3.{3. of Science, Harbin engineering University, Harbin 150001, china 4.{3. of Material Science and chemical engineering, Harbin engineering University, Harbin 150001, china School of Materials Science and engineering Beijing Institute of Technology Beijing China Micro-Nano Technologies Research Center Hunan University Changsha China college of Science Harbin Engineering University Harbin China college of Material Science and chemical engineering Harbin Engineering University Harbin China

CdS/α-Fe2O3.hierarchical nanostructures, where the CdS nanorods grow irregularly on the side surface of α-Fe2O3.nanorods, were synthesized via a three-step process. The diameters and lengths of CdS nanorods can be tuned by changing the ethylenediamine (EDA) and Cd ion concentrations. The magnetic investigations by superconducting quantum interference device indicate that the hierarchical nanostructures have an Morin transition at lower temperature (23. K) than that of the single bulk α-Fe2O3.materials (263.K). Importantly, the hierarchical nanostructures exhibit weakly ferromagnetic characteristics at 3.0 K. A sharp peak assigned to the surface trap induced emission are observed in room temperature PL spectra. Combining with the optoelectronic properties of CdS, the CdS/ α-Fe2O3.hierarchical nanostructures may be used as multi-functional materials for optoelectronic and magnetic devices.

关键词： α-Fe2O3 CdS hierarchical nanostructures magnetic properties

Adsorption of surfactants onto acrylic ester resins with different pore size distribution

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Science china Chemistry 2006年第5期49卷 445-453页

作者： YANG Weiben1,2,3.LI Aimin1,3.CAI Jianguo1,3.MENG Guanhua1,3.& ZHANG Quanxing1,3.1. State Key Laboratory of Pollution Control and Resource Reuse,School of the Environment,Nanjing University,Nanjing 210093.china 2. Nanjing college of chemical Technology,Nanjing 21004.,china 3. Jiangsu engineering & Technology Research Center for Organic Toxicant Control and Resource Reuse,Nanjing 21003.,china State Key Laboratory of Pollution Control and Resource Reuse School of the Environment Nanjing University Nanjing China Nanjing college of chemical Technology Nanjing China Jiangsu engineering & Technology Research Center for Organic Toxicant Control and Resource Reuse Nanjing China

In this study, a series of acrylic ester resins with different pore size distribution were prepared successfully by varying the type and the amount of pore-forming agents. In order to inves-tigate the adsorption behavior and mechanism of surfactants on acrylic ester resins, three kinds of surfactants were utilized as adsorbates that were sodium 6-dodecyl benzenesulfonate (6-NaDBS), sodium 1-dodecyl benzene sulfonate (1-NaDBS) and sodium 1-dodecyl sulfonate, respectively. It was observed that the surface area was available in a particular pore size and an appropriate pore size of resins appeared to be more important for the adsorption of surfactants. As compared to commercial acrylic ester resins XAD-7 and HP2MG, 50# and 3.# resins exhibited more excellent adsorption properties toward 1-NaDBS and 6-NaDBS. The experimental equilibrium data were fitted to the Langmuir, and double-Langmuir models. Two models provided very good fittings for all resins over the temperature range studied. The investigation indicated that electrostatic attraction and hydrogen bond between resins and surfactants were the main forces and had an obvious effect on adsorption proc-ess.

关键词： acrylic ester resin, surfactant, adsorption, pore size distribution, isotherm.