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Progress in Chemistry 2010, No.05 Previous issue Next issue

In this issue:

Invited Article
Abstract

Polypyridyl ruthenium(Ⅱ) complexes exhibit unique photophysical, photochemical, electrochemical, electron transfer, energy transfer, molecular assembly and molecular recognition properties. Ferrocenyl group has many attractive features, such as excellent reversible redox properties, high solubility in organic media, and high modifiability by organic synthesis methods, and its derivatives remain those distinguish properties in the applications of functional molecules. The ferrocenyl-functionalized terpyridine ligands are particularly interesting, since this type of ligand displays a high binding affinity to many metal ions, offering the thermodynamic driving force for stable metallosupramolecule formation. Furthermore, these ligands can be used for the construction of geometrically well-defined functional complexes which show fascinating properties based on intramolecular electron and energy transfer. This review focuses on the research progress of ferrocenyl-functionalized ruthenium(Ⅱ) terpyridine complexes, specially those containing extensively conjugated ferrocenylethynyl and ferrocenylphenylethynyl substituents. Combined with our research results, optoelectronic property alterations of this class of compounds arosed by the introduction, number variation (one or two) and position isomerization of alkynyl are disscussed.

Contents
1 Introduction
2 Molecular structure and optoelectronic properties of ferrocenyl-functionalized ruthenium(Ⅱ) terpyridine complexes
2.1 Functional molecules containing a single ferrocenyl ruthenium(Ⅱ) terpyridine
2.2 Functional molecules containing multiferrocenyl ruthenium(Ⅱ) terpyridine
2.3 Functional molecules containing ferrocenylethynyl ruthenium(Ⅱ) terpyridine
3 Summary and outlook

Abstract

The article reviews the chemical methods for the preparation of DNA containing 4-thiothymine(base). 4-Thiothymine(base) has several unique properties, such as easy alkylation, ready oxidation and strong absorption in UVA region. These chemical and physical properties are retained at its nucleoside and DNA levels and particularly useful for chemical manipulation and photo crossing of the thiothymine(base) DNA with other biomolecules of interest. The ability to make DNA containing thiothymine(base) or their functionalized analogues is also useful for studying DNA repairs. UVA/Thiothymidine anti-cancer therapy is also introduced and discussed. The synergetic exploration of sulfur-containing nucleoside analogues and ultraviolet light could provide a new way for treatment of cancer.

Contents
1 Introduction
2 An overview of photodynamic therapy (PDT)
3 Thiothymidine & analogues as potential UVA light-assisted anticancer drugs
4 Chemical synthesis of base-modified DNA
4.1 Conventional synthetic approach
4.2 Post-synthetic functionalization
4.3 Combined approach
5 Synthetic chemistry of DNA containing 4-thiothymine(base)
5.1 Preparation of 4-thiothymidine
5.2 Preparation of phosphoramidite of 4-thiothymidine and its incorporation in DNA synthesis
5.3 Purification
5.4 Composition analysis
6 Chemical and physical properties of thiothymine in DNA
6.1 Direct alkylation
6.2 Photochemistry
6.3 UV absorption and application of 4-thiothymidine
7 DNA containing 4-thiothymine(base) used for cancer studies
7.1 The role of ultraviolet light-induced activation as a novel cancer therapy
7.2 Exploration of 4-thiothymidine & analogues (5-Br-4-thiodU) as potential prodrugs
8 Conclusion and outlook

Applications of Supercritical Methanol in Chemical Reactions
2010, 22 (05): 796-802 |
Published: 24 May 2010
Abstract

One of the very promising and fast growing branches of green chemistry is the application of supercritical fluids for important chemical processes. Due to the unique properties of supercritical methanol, it has attracted much attention and widely used in the green chemical processes. In this paper, after the introduction of the properties of supercritical methanol, recent advances in chemical reactions, such as using supercritical methanol as both of reaction media and reactant for organic synthesis, biodiesel production, biomass transform and polymers decomposition, are reviewed. Details about these chemical reaction conditions and related results are presented. Finally, the outlook of supercritical methanol in the chemical synthesis based on methanol is also proposed.

Contents
1 Introduction
2 Properties of supercritical methanol
2.1 Critical properties of methanol
2.2 Ion-product constant
2.3 Hydrogen bonds
2.4 Electronegativity
2.5 Activated volume
2.6 As reaction medium and reactant
3 Chemical reactions in supercritical methanol
3.1 Organic synthesis
3.2 Biodiesel production
3.3 Transform of biomass
3.4 Decomposition of polymers
4 Conclusion

Theoretical Calculation of Cyclodextrins
2010, 22 (05): 803-811 |
Published: 24 May 2010
Abstract

Cyclodextrins have played an important role in the development of supramolecular chemistry. They have been extensively studied both experimentally and theoretically due to their special physical and chemical properties. In this paper, the progress in the theoretical calculations of the cyclodextrin chemistry over the past decade is reviewed. In particular, some recent applications of molecular dynamics simulations and free-energy calculations in the investigation of the recognition and assembly behavior of cyclodextrins are emphasized. In addition, the theoretical research trends of cyclodextrins are discussed.

Contents
1 Introduction
2 Computational methods
2.1 Quantum mechanics (QM)
2.2 Molecular mechanics/molecular dynamics (MM/MD)
2.3 Docking
2.4 Quantitative structure–activity relationship (QSAR)
3 Applications of molecular modeling to the study of cyclodextrins
3.1 Structural features of cyclodextrins
3.2 Hydration of cyclodextrins
3.3 Molecular recognition by cyclodextrins
3.4 Molecular self-assembly of cyclodextrins
4 Conclusion and outlook

Forward Osmosis and Concentration Polarization
2010, 22 (05): 812-821 |
Published: 24 May 2010
Abstract

The basis of forward osmosis as well as the principal of pressure retarded osmosis (PRO) are introduced and compared with reverse osmosis (RO). The phenomenon that the nominal permeability in FO is far below theoretical permeability are described. The models describing the concentration polarization is asymmetric membranes are summarized. Several methods are proposed to diminish the external concentration polarization. Approaches to attenuate the internal concentration polarization based on the structure design of membrane materials are presented. The review provides a theoretical basis for preparation and application of FO membrane materials.

Contents
1 Introduction
2 Basic principle of forward osmosis
3 The phenomenon of concentration polarization
3.1 External concentration polarization
3.2 Internal concentration polarization
3.3 Modeling concentration polarization
4 Summary

Electron Transport and Recombination in Dye Sensitized Solar Cells
2010, 22 (05): 822-828 |
Published: 24 May 2010
Abstract

Electron transport and recombination in dye sensitized solar cells is an open question and a key for further improvement of the cell’s performance and stability. The multiple trapping theory model uses two basic physical parameters, the electron lifetime and the diffusion coefficient, to describe the behaviors of electron transport and recombination in dye sensitized solar cells. To measure the electron lifetime and the diffusion coefficient experimentally, researchers have recently developed various methods in frequency domain, time domain and at steady state, reviewed in the paper. Also, the research progress of the behaviors of electron transport and recombination is reviewed from the aspects of the influence of nanocrystalline semiconductor photoanode, electrolyte and dye.

Contents
1 Introduction
2 Theory model of electron transport and recombination in DSC
3 Experimental methods to investigate the electron transport and recombination in DSC
3.1 Electrochemical impedance spectroscopy method
3.2 Intensity modulated photocurrent spectroscopy and intensity modulated photovoltage spectroscopy
3.3 Open circuit voltage decay method
3.4 Short circuit photocurrent method
3.5 Stepped light-induced transient photocurrent and voltage method
3.6 Incident photon to current efficiency method
4 Influence of the materials and the structure of DSC on the electron transport and recombination
4.1 Influence of the photoanode microstructure on the electron transport and recombination
4.2 Influence of the electrolyte components on the electron transport and recombination
4.3 Influence of the dye molecular structure on the electron transport and recombination
5 Conclusion and outlook

Pharmaceutical Cocrystals
2010, 22 (05): 829-836 |
Published: 24 May 2010
Abstract

Different solid forms of identical drug may have diverse physicochemical properties, therapeutic/toxicological effects and formulation profiles. Compared to solvates and salts which are limited to small numbers of nontoxic solvents and ionizable drugs, cocrystals represent the very promising designable solid forms of active pharmaceutical ingredients, due to their extensive species and wide application scope. In this article, progress on pharmaceutical cocrystals, including the formation principles, cocrystal design, physicochemical properties and preparation techniques, is addressed. Cocrystals have great potentials in pharmaceutical sciences.

Contents
1 Introduction
2 Principle of cocrystal formation
3 Design of cocrystals
3.1 Interaction-based design
3.2 Molecular properties-based design
3.3 Host molecule-based design
4 Properties of cocrystals
4.1 Melting point
4.2 Hygroscopicity
4.3 Stability
4.4 Solubility and dissolution
4.5 Bioavailability
4.6 Release
4.7 Mechanical properties
4.8 Phase diagram
4.9 Application in separation and purification
5 Preparation of cocrystals
5.1 Crystallization from solvent
5.2 Solid state grinding
5.3 Sonication
5.4 Supercritical fluid technology
6 Outlook

Reaction-Based Optical Chemosensors for Hg(II) Cations
2010, 22 (05): 837-844 |
Published: 24 May 2010
Abstract

Chemosensors are highly valuable in a variety of fields such as environmental chemistry, analytic chemistry and bio-medicinal science. They provide accurate, on-line, and low-cost detection of toxic heavy metal ions with high selectivity and sensitivity. More and more attention is contributed to the development of analyte-specific reaction-based optical chemosensors. The progress that has been achieved for the reaction-based optical chemosensors of Hg2+ is reviewed. This paper follows a classification of the sensing systems based on chemical reactions. It comprises of mercury-promoted desulfurization and thiol elimination reactions, mercury-promoted intramolecular cyclization by desulfhydrylation, oxymercuration, mercuration reaction, etc.

Contents
1 Introduction
2 Design of reaction-based optical chemosensors
3 Reaction-based optical chemosensors for Hg2+
3.1 Hg2+-promoted desulfurization and thiol elimination reactions
3.2 Hg2+-promoted intramolecular cyclization by desulfhydrylation
3.3 Oxymercuration and mercuration reactions
3.4 Other reactions
4 Conclusion and outlook

Application of Molecular Simulation in Biosensor Development
2010, 22 (05): 845-851 |
Published: 24 May 2010
Abstract

Molecular simulation is a computerized research approach based on strong calculated capacity. Molecular simulation is usually composed of quantum mechanics (QM) and molecular mechanics (MM), and it has been proved to be a useful tool in many research fields. Recently, as a highlight of multidisciplinary study, biosensor has attracted lots of researchers. Because of the growth of computational biologist research interest, a brief introduction of computer simulation theory at the molecular level and the simulation research findings on bio-molecule adsorption, design, screening, as well as specific biological interaction principle and features, which are related to the biosensor development, have been showed and analyzed in this review. Development trend in this field is also discussed for biosensor innovation.

Contents
1 Introduction
2 Molecular simulation on the computer
3 Computer simulation and biosensors
3.1 Adsorption of Biomacromolecule on electrode
3.2 Principle of protein-ligand interaction
3.3 Mathematical simulation of flow and diffusion process
3.4 Design and screening of biomacromolecules
3.5 pH dependence of protein-ligand complexes
4 Summary and prospects

Pt-Based Electrocatalyst Materials
2010, 22 (05): 852-860 |
Published: 24 May 2010
Abstract

Platinum is an important electrocatalyst material used in energy devices such as direct methanol fuel cells(DMFC). In this review paper, we present the recent results on the synthesis method, composition structure, surface dispersion, and electrocatalysis properties of Pt-based electrocatalyst materials. The features of various methods and electrocatalyst properties are discussed. Finally, the future in this research field is expected.

Contents
1 Introduction
2 Research on Pt and Pt-based electrocatalysts
2.1 Preparation and properties of pure Pt electrocatalysts
2.2 Preparation and properties of binary and multi-metallic Pt-based catalysts
3 Preparation and properties of supported Pt-based catalysts
3.1 Pt/ carbon black composites
3.2 Pt/ carbon aerogels
3.3 Pt/ carbon nanotubes
4 Research on other electrocatalysts
5 Conclusion

Preparation and Applications of Doped ZnS Nanoparticles
Li Juan-Juan
2010, 22 (05): 861-866 |
Published: 24 May 2010
Abstract

Doped ZnS seconductor nanocrystals as a new class of luminescent materials have become a research hotspot for their unique optical characteristics and great application prospects in various areas. As the particle size becoming smaller, the quantum efficiency of doped ZnS nanocrystals increases, and the band gap energy increases too, which results in a blue-shift in the absorption spectra and photoluminescent excitation spectra, while a red-shift in the photoluminescent emission spectrum due to quantum size effects. In this paper, the factors influencing the luminescence properties and luminescence quantum efficiency of doped ZnS nanoparticles are discussed, and recent developments of preparation and applications of doped ZnS semiconductor nanoparticle materials are reviewed.

Contents
1 Introduction
2 Preparation of doped ZnS semiconductor nanoparticle materials
3 The factors influencing the luminescence properties and quantum efficiency of doped ZnS nanoparticles
3.1 Dopant ions and their concentration
3.2 Surface modification
3.3 UV irradiation
4 The applications of doped ZnS semiconductor nanoparticle materials
4.1 The application in photoelectronic field
4.2 The application in environmental analysis and biomedical fields
4.3 The application as photocatalyst
4.4 The application in nanocomposite materials
5 Prospects

Abstract

Titannium dioxide (TiO2) and carbon nanotubes (CNTs) are the most investigated functional materials over the past 15 years. TiO2/CNTs nanocomposites, which combine the intrinsic properties and advantages of two materials, have been widely studied in diverse fields. In this paper, the recent progress in synthesis study of TiO2/CNTs are systematically reviewed based on the latest literatures. Some important synthesis methods such as mixing, chemical vapour deposition, electrospinning, sol-gel, hydrothermal and solvothermal are summarized. The synergistic effects such as enhancing the separation of photo-generated electron/hole pairs, increasing the visible light photocatalytic activity and the specific surface area are discussed. The problems that still should be resolved and the further perspectives are pointed out.

Contents
1 Introduction
2 Synthesis methods of TiO2/CNTs composites
2.1 Mixing method
2.2 Chemical vapour deposition method
2.3 Electrospinning method
2.4 Liquid phase deposition method
2.5 Sol-gel method
2.6 Hydrothermal and solvothermal method
2.7 Self-assembly method
2.8 Other methods
2.9 Modifer and their application in synthesis of TiO2/CNTs
3 Photocatalysis synergistic effects of TiO2/CNTs
3.1 Enhancing the separation of photo-generated electron/hole pairs
3.2 Enhancing the visible light photocatalytic activity
3.3 Increasing the specific surface area
3.4 Increasing the hydroxyl radical content
4 Conclusion and prospects

Structures and Bioactivities of Triterpenoids from Euphorbia
2010, 22 (05): 877-887 |
Published: 24 May 2010
Abstract

More than two thousand Euphorbia species are distributed in the world, which are used in folk medicine to cure skin diseases, edema, tuberculosis, and as a purgative and diuretic medicine in our country. Many reviews are about investigations of chemicals and pharmacologic actions of deterpenoids, however, the review on chemicals and bioactivities of triterpenoids in Euphorbia has not been reported before. The paper summarizes studies of the chemical structures of triterpenoids (lanostane-type, cycloartane-type, euphane-type, tirucallane-type, oleanane-type, ursane-type and lupine-type) and their major bioactivities including anti-tumor, anti-inflammatory, anti-bacterial and anti-virus. The chemistry and bioactivities of Euphorbia triterpenoids still have great space to study.

Contents
1 Triterpenoids structures
1.1 Lanostane-type
1.2 Cycloartane-type
1.3 Euphane-type
1.4 Tirucallane-type
1.5 Oleanane-type
1.6 Ursane-type
1.7 Lupane-type
1.8 Other-types
2 Primary bioactivities
2.1 Anti-tumor activity
2.2 Anti-virus activity
2.3 Anti-inflammatory and anti-bacterial activity
3 Conclusion

Molecular Imprinting Technology Based on Cyclodextrins
2010, 22 (05): 888-897 |
Published: 24 May 2010
Abstract

Molecular imprinting technology, as an interdisciplinary field which developed recently, is applied widely in many areas. Cyclodextrins are cyclic oligosaccharides, and have proper rigidity and flexibility, excellent mechanical stability and biocompatibility. Cyclodextrins have the ability to form inclusion complexes with a wide range of substates for their particular structures, which makes cyclodextrins as good choice of materials in molecular imprinting technology. Composing of the advantages of supramolecular chemistry, macromolecular chemistry and analytical chemistry, molecular imprinting technology based on cyclodextrins is of great guiding significance for the synthesis of artificially controlled host molecules in supramolecular chemistry and the realization of artificial enzyme with multi-recognition sites. Here, the recent development of molecular imprinting technology based on cyclodextrins is reviewed. Firstly, the synthesis of different kinds of products of molecular imprinting technology is introduced, including the synthesis clues, approaches, methods and the recognition mechanism. Then, the application of the system is emphatically described, including in the field of molecule recognition, chromatography seperation, electrochemistry sensors and biological control. At last, the disadvantages in recent study and prospects are pointed out.

Contents
1 Introduction
2 Synthesis of MIPCDs and the recognition mechanism
2.1 Synthesis of MIPCDs with single CD and the research of mechanism
2.2 Synthesis of MIPCDs with multi CD and the research of mechanism
2.3 Synthesis of MIPCDs based on the support and the research of mechanism
3 Application areas of MIPCDs
3.1 Application of MIPCDs in molecule recognition
3.2 Application of MIPCDs in filling the stationary phase of liquid chromatography
3.3 Application of MIPCDs in electrochemistry sensors
3.4 Application of MIPCDs in biological control
4 Prospects

Phosphorus-Containing Organic Electroluminescent Materials
2010, 22 (05): 898-904 |
Published: 24 May 2010
Abstract

A great deal of attention has been focused on the electroluminescent materials due to their great potentials in organic light-emitting diodes (OLEDs). The incorporation of heteroatoms into π-conjugated systems is an effective method to modify the properties of organic electroluminescent materials. Phosphorus atom not only possesses d orbit for σ-π interaction, but also allows chemical modifications in diverse ways, such as oxidation, sulfuration and metal-coordination to fine-tune the properties. The rapid development of phosphorus-containing π-conjugated materials greatly broadens the molecular structure design and the optoelectronic property improvement of organic electroluminescent materials. In this review, various phosphorus-containing π-conjugated materials were summarized and discussed according to the different incorporation modes of the phosphorus atoms, including phosphole, dithienophosphole, phosphalfluorene, and phosphorus substituted polyphenylene vinylene, etc. The progress of phosphorus-containing electroluminescent materials were summarized and their future development was prospected.

Contents
1 Introduction
2 Common types of phosphorus-containing organic electroluminescent materials
2.1 Phosphole-based materials
2.2 Dithienophosphole-based materials
2.3 Dibenzophosphole-based materials
2.4 Phosphorus-containing polyphenylene vinylene-based materials
2.5 Iminophosphorane-based materials
3 Other types of phosphorus-containing organic electroluminescent materials
4 Conclusion and outlook

Detection of Biological Molecule Based on Fluorescent Conjugated Polyelectrolytes
wang lingyun derong cao
2010, 22 (05): 905-915 |
Published: 24 May 2010
Abstract

Conjugated polyelectrolytes combining the optoelectronic advantages of traditional conjugated polymers with water solubility and ionic nature of polyelectrolytes serve as the basis for a new generation of bio-chemical sensors, which is becoming more and more attractive research field. In this paper, we summarize the advances of conjugated polyelectrolytes (such as polyfluorenes, polythiophenes, poly(p-phenylene vinylene)s and poly(phenylene ethynylene)s, etc.) used for detection of biological molecule in recent five years. The perspective on conjugated polyelectrolytes is given.

Contents
1 Introduction
2 Types of signal transduction mechanisms of conjugated polymers
3 Biosensor based on conjugated polyelectrolytes
3.1 Polyfluorene and its derivatives
3.2 Polythiophene and its derivatives
3.3 Poly(p-phenylene vinylene) and its derivatives
3.4 Poly(phenylene ethynylene) and its derivatives
4 Prospects

Cyclodextrin-Containing Supramolecular Hydrogels
2010, 22 (05): 916-926 |
Published: 24 May 2010
Abstract

Recent progresses in studies on supramolecular hydrogels based on the inclusion complexation of cyclodextrins with various guest molecules are reviewed, mainly including: (1) the supramolecular physical hydrogels formed from the self-assembly of poly(pseudo)rotaxanes between cyclodectrins and different polymers such as linear, star-shaped, graft, or hyperbranched ones, and the supramolecular chemical hydrogels formed via the crosslinking reaction of functionalized poly(pseudo)rotaxanes; (2) the supramolecular physical hydrogels based on the formation of inclusion complexes via "lock and key" as physical crosslinking points between cyclodextrins, their dimers or water-soluble cyclodextrin-containing polymers and polymers with hydrophobic side groups and their potential applications as drug/gene delivery carriers and tissue engineering scaffolds. This review was focused on the design and preparation of the supramolecular hydrogels with stimuli-responsive properties including shear, temperature, pH, light, etc.

Contents
1 Introduction
2 Supramolecular hydrogels based on poly(pseudo)rotaxanes between CDs and polymers
2.1 Supramolecular physical hydrogels formed from the self-assembly of poly(pseudo)rotaxanes
2.2 Supramolecular chemical hydrogels formed via crosslinking reaction of poly(pseudo)rotaxanes
3 Supramolecular physical hydrogels based on inclusion complex formation of CD molecules with low molecular weight guest molecules via "lock and key" mechanism
3.1 Supramolecular hydrogels formed from inclusion complexation between CD or guest molecules and corresponding guest or CD moieties of polymers
3.2 Supramolecular hydrogels formed from inclusion complexation between CD moieties of polymers and guest moieties of polymers
3.3 Supramolecular hydrogels formed from inclusion complexation of host-guest units without polymeric backbone
4 Conlusion and outlook

Application of Cyclodextrins in Polymerization
2010, 22 (05): 927-937 |
Published: 24 May 2010
Abstract

Cyclodextrins (CD) have wide applications in many fields owing to the natures of their molecular structures. Their applications in polymerization have received much attention and gradually become an important field in the study of the polymer science. CD can be used in not only the formation of supramolecular polymers but also polymerization of monomers. CD could not only act as monomer, initiator, template but also play a role in solubilization, molecular chaperone, reactivity control, changing the character of polymer in polymerization. In the present paper, the recent progress of the applications of CD and CD derivatives is summarized, including the different roles of CD in synthesis of polymers and mechanism of application. The prospects for the future development in this field is also briefly given.

Contents
1 Introduction
2 The applications of CD in the preparation of supramolecular polymers
3 The applications of CD as reactant in polymerization
3.1 CD as macrocyclic monomer to synthesize polysaccharide
3.2 CD as multifunctional monomer in polymerization
3.3 CD as core to synthesize star-shaped polymer
3.4 CD as template in polymerization
4 The applications of inclusion complexation of CD in polymerization
4.1 The role of CD in inclusion solubilization
4.2 The role of CD as initiator, molecular chaperone for ring-opening polymerization of lactone
4.3 The role of CD in control of monomer reactivity
4.4 The role of CD in affect properties of polymer
5 Outlook

Abstract

Chitosan is a renewable and natural basic polysaccharide with a variety of excellent features. However, since the dissolution of chitosan is poor, it can only be dissolved in some dilute acids, which restricts its further research and application. Therefore, to exploit the unique properties and to realize the full potential of the versatile polysaccharide, attempts are being made to chemically modify them. Phosphorylation or phosphoryl modification of chitosan is one of the methods. In this paper, introducing phosphorus-containing groups into chitosan to form phosphorus-containing derivatives are reviewed. And their synthesis and purification methods, characterization of the structure, properties and applications are presented and discussed detailedly. Finally, the opinions with respect to prospects of phosphorus-containing derivatives of chitosan are proposed.

Contents
1 Introduction
2 Synthesis and purification of phosphorus-containing derivatives of chitosan
3 Characterization of phosphorus-containing derivatives of chitosan
3.1 Characterization of chemical structure
3.2 Physical properties and morphology
3.3 Physical and anti-bacterial properties
4 Application of phosphorus-containing derivatives of chitosan
4.1 Adsorption of metal ions and chelating capacity of phosphorus-containing derivatives of chitosan
4.2 Application of phosphorus-containing chitosan in drug delivery
4.3 Application of phosphorus-containing derivatives of chitosan in the field of biomedical
4.4 Application of phosphorus-containing derivatives of chitosan in the fuel cells
5 Outlook

Inorganic Nanocomposite Hydrogels
2010, 22 (05): 948-952 |
Published: 24 May 2010
Abstract

Recently, inorganic nanocomposite hydrogels being their more excellent properties have been attracted considerable attention on the field of hydrogel researching due to the nano-fillers having many peculiar effects. Furthermore, the structural morphologies of the nanoparticles are various, such as lamellar-, tubal- and spherical-like, and different structural morphologies of nanopartilces should have different effects on the final properties of the composites. Up to now, various inorganic nanoparticles with different structural morphologies, have been already applied to prepare composite hydrogels, which showed distinct properties. In this paper, the research progress of inorganic nanocomposite hydrogels, based on various structural morphologies of nanoparticles, is reviewed.

Contents
1 Introduction
2 Nanocomposite hydrogels prepared by various inorganic nanoparticles with different structural morphologies
2.1 Lamellar- or layered-like nanocomposite hydrogels
2.2 Tubal-like nanocomposite hydrogels
2.3 Spherical-like nanocomposite hydrogels
3 Conclusion

Abstract

Nanoparticles prepared by multi-functional water-soluble polymer ligands with monodispersity in the small size range possess numerous excellent physical properties, such as biocompatibility, near infrared fluorescence, superparamagnetism, etc, which are better than those prepared by traditional methods. The paper reviews the recent progress of preparations for noble metal nanoparticles, magnetic nanoparticles, quantum dots and core-shell complex nanoparticles, studies the advantages of multi-functional water-soluble polymer ligands and analyzes the effects of various factors on preparing of nanoparticles, for example, structures, molecular weight and the concentration of multi-functional water-soluble polymer. Finally, the paper discusses the versatile emerging applications of nano-size, monodisperse and water-soluble nanoparticles in the field of ligand exchange, targeted drugs delivery system, disease detection, bio-labels, magnetic resonance imaging (MRI) and optoelectronics. Simultaneously, the considerable research orientation of preparing nanoparticles with multi-functional water-soluble polymer ligands is prospected.

Contents
1 Introduction
2 Character of preparation nanoparticles with multi-functional water-soluble polymer ligands
3 Preparation of various nanoparticles with multi-functional water-soluble polymer ligands
3.1 Preparation of noble nanoparticles
3.2 Preparation of magnetic nanoparticles
3.3 Preparation of quantum dots
3.4 Preparation of core-shell complex nanoparticles
4 Effects of various factors on preparing nanoparticles with multi-functional water-soluble polymer ligands
4.1 Effects of polymer ligands structures
4.2 Effects of polymer ligands molecular weight
4.3 Effects of polymer ligands concentration
5 Applications of nanoparticles prepared with multi-functional water-soluble polymer ligands
5.1 Biological and medicinal applications
5.2 Photoelectric applications
5.3 MRI applications
6 Conclusion and outlook

Moving Window Two-Dimensional(MW2D)Correlation Spectroscopy
2010, 22 (05): 962-974 |
Published: 24 May 2010
Abstract

Moving window two-dimensional(MW2D)correlation spectroscopy is the combination of the moving window concept with two-dimensional correlation spectroscopy (2DCOS) to facilitate the analysis of complex data sets. This new method of analysis allows one to split a large data matrix into smaller and simpler subsets and to analyze them instead of computing overall correlation. Complicated spectral intensity changes along the perturbation direction can be easily discriminated, and their characteristic perturbation points are precisely found by the MW2D correlation analysis. Topics covered by this review include calculation method, characteristic features, influencing factors and practical application of MW2D. In addition, perturbation-correlation moving-window two-dimensional (PCMW2D) correlation spectroscopy is especially emphasized, as an extension of MW2D.

Contents
1 Introduction
1.1 Two-dimensional correlation spectroscopy
1.2 Moving window
2 Moving window two-dimensional correlation analysis
2.1 Applications of MW2D correlation analysis in phase transitions
2.2 Calculation procedures of MW2D
2.3 Features of MW2D correlation analysis
2.4 Influencing factors of MW2D correlation analysis
3 Development of MW2D correlation analysis
3.1 Perturbation-correlation MW2D correlation spectroscopy
3.2 Others
4 Applications of MW2D correlation analysis
4.1 Applications of MW2D correlation spectroscopy
4.2 Applications of PCMW2D correlation spectroscopy
4.3 Computational simulations of MW2D correlation analysis
5 Conclusion

Structural DNA Nanotechnology
2010, 22 (05): 975-982 |
Published: 24 May 2010
Abstract

The simple Watson-Crick base pairing rule of A-T/C-G of DNA has created a beautiful biological realm. DNA nanotechnology extends DNA’s conventional role from genetic blueprint to a building block in constructing functional nanoarchitectures. DNA self-assembly in building programmable nanopatterns has been attracting intense attention and holds great promise for building novel designed nanoarchitectures. In this review, we summarize the principle of DNA self-assembly, introduce some of the exciting progress of structural DNA nanotechnology in recent years, which include construction of DNA 2D patterns and 3D nanostructures, DNA-directed assembly of multicomponent 2D nanoarrays and 3D nanoarchitectures. At the end, we offer the outlook of the ever-growing frontiers of DNA nanotechnology.

Content
1 Introduction
2 Two dimensional DNA nanoarchitectures
3 Three dimensional DNA nanoarchitectures
4 DNA-templated two dimensional nanoarchitectures
5 DNA-templated three dimensional nanoarchitectures
6 Conclusion and outlook

Abstract

The revealing of the relationship between the G-quadruplex and cancer by modern molecular biology techniques provides a new opportunity to the anti-cancer drugs research. Because of the important effect on cellular proliferation and apoptosis, the G-quadruplex in the c-myc promoter has emerged as an attractive target for anti-cancer therapeutic agents. The present article aims to highlight recent advances in the structure of G-quadruplex in the oncogene c-myc promoter and small ligands targeting the G-quadruplex. Firstly, the biological significance of c-myc G-quadruplex is introduced. Secondly, the structures of several c-myc G-quadruplexs are analyzed. Finally, the development of the small ligands targeting c-myc G-quadruplex is introduced, and the mechanism of the quadruplex-related drug candidate CX-3543 which has entered phase Ⅰ clinical trial has been explored.

Contents
1 Introduction
2 The NHE Ⅲ1 in the c-myc promoter forms an intramolecular parallel G-Quadruplex structure
3 The structure of G-quadruplex formed in the c-myc promoter
3.1 The G-quadruplex formed in Pu27
3.2 The G-quadruplex formed in Pu18
3.3 The G-quadruplex formed in MYC22
3.4 The G-quadruplex formed in MYC22-G14T/ G23T
4 Small molecules targeting c-myc G-quadruplex structures
4.1 The anti-cancer drug discovery targeting c-myc G-quadruplex structures
4.2 Other small ligands targeting c-myc G-quadruplex structures
4.3 Interaction modes between ligands and G-quadruplexes
5 Conclusion

Computational Chemistry of Protein Kinase A and Its Inhibitor Balanol
2010, 22 (05): 993-1001 |
Published: 24 May 2010
Abstract

Protein kinases regulate signal transduction pathways in cell by phosphorylating the protein kinase substrate, and they are important targets in drug design. Protein kinase A (PKA) is the first kinase that was obtained X-ray structure of its catalytic domain, and is regarded as prototype for protein kinase superfamily. The progress in computational chemistry study of protein kinase A has been reviewed, including the molecular dynamics simulation study of PKA holoenzyme and its C subunit and R subunit in aqueous solution, phosphoryl transfer mechanism, the binding free energy predicting and flexible docking of C subunit with its inhibitor balanol. Various computational approaches are applied to this system, including molecular dynamics simulation, dock, homology modeling, QM/MM.

Contents
1 Introduction
2 Molecular dynamics simulation study on PKA
2.1 Molecular dynamics simulation study on C subunit
2.2 Modeling of the complex of C subunit and R subunit
2.3 Molecular dynamics simulation study on R subunit
3 Phosphoryl transfer mechanism
4 Balanol
4.1 Prediction of binding free energy
4.2 Flexible protein-flexible ligand docking
4.3 Mechanism of high selectivity of balanol analogue BD2
4.4 Functional role of structure water molecules in the recognition of C subunit and BD2
5 Conclusion and outlook

Treatment of Antibiotic Wastewater by Ozonation
2010, 22 (05): 1002-1009 |
Published: 24 May 2010
Abstract

The basic principle of ozonation technology is described in detail. The effects of ozone dosage, temperature, pH, UV, H2O2, and catalyst on the treatment of antibiotics wastewater by ozonation are discussed. The recent developments about ozonation of six kinds of antibiotic wastewater, including β-lactam antibiotics, macrolide antibiotics, sulfonamide antibiotics, quinolone antibiotics, tetracycline antibiotics, and chloramphenicol antibiotics, respectively, are reviewed. Moreover, existing problems and development trend of wastewater treatment by ozonation technology are presented.

Contents
1 Introduction
2 Basic principle of ozonation technology
2.1 Direct ozonation
2.2 Free radical reaction of indirect ozonation
3 Influence factors on the treatment of antibiotics wastewater
3.1 O3 dosage
3.2 Temperature
3.3 pH
3.4 UV
3.5 H2O2
3.6 Catalyst
4 Application of ozonation in the treatment of antibiotics wastewater
4.1 β-Lactam antibiotics wastewater
4.1.1 Penicillins wastewater
4.1.2 Cephalosporin wastewater
4.2 Macrolide antibiotics wastewater
4.3 Sulfonamide antibiotics wastewater
4.4 Quinolones antibiotics wastewater
4.5 Tetracyclines antibiotics wastewater
4.6 Chloramphenicol antibiotics wastewater
5 Conclusion

Abstract

The process of two-step water-splitting thermochemical cycle based on metal oxide redox system is a solar energy storage and hydrogen production technology, which has become one focus in new energy research and development field these days. The principle of this hydrogen production technology is introduced, research progress of key material—metal oxides systems and solar reactor are reviewed, and "bottleneck" on the way to largescale application is analyzed. In the end, two-step steam reforming of methane (two-step SRM) derived from two-step water-splitting thermochemical cycle based on metal oxide redox system in recent years, as well as metal oxide materials involved in this novel technology are discussed. Furthermore, research direction in this field is proposed.

Contents
1 Introduction
2 Principle of hydrogen production process by two-step water-splitting thermochemical cycle based on metal oxide redox system
3 Conventional system
3.1 Single metal oxide system
3.2 Complex metal oxide system
3.3 Impure system
4 A novel system —— two-step steam reforming of methane for hydrogen production
4.1 Single metal oxide system
4.2 Complex metal oxide system
5 Conclusion and outlook