The X-ray line broadening technique was used to calculate the grain size of MgO at 1023, 1123, 1223 K respectively either in $CO_2$ or during the thermal decomposition of magnesites in air as well as in vacuum. By referring to the conventional grain growth equation, $D^n=kt$, the activation energy and pre-exponential factor for the process in air are gained as 125.8 kJ/mol and $1.56{\times}10^8\;nm^4/s$, respectively. Ranman spectroscopy was employed to study the surface structure of MgO obtained during calcination of magnesite, by which the mechanism of grain growth was analyzed and discussed. It is suggested that a kind of highly reactive MgO is produced during the thermal decomposition of magnesites, which is exactly the reason why the activation energy of the grain growth during the thermal decomposition of magnesite is lower than that of bulk diffusion or surface diffusion.

A new fluorescent system (acridine/RTIL hybrid gel) confined in the 3D micro-structure of a poly(lactic acid) membrane were prepared from 1-butyl-3-methylimidazolium-based ionic liquids ([bmim]X (X = $SbF_6$, $NTf_2$, Cl); RTILs), poly(lactic acid) (PLA), and acridine via the sol-gel route. SEM images showed that, in the presence of [bmim]$SbF_6$ and [bmim]$NTf_2$, 3D-ly paticulated structures were created inside the PLA membranes and acridine/RTIL hybrid gels were confined in gabs of particulates. However, the use of [bmim]Cl induced the formation of a 3D-ly porous structure containing the hybrid gel of acridine/[bmimCl in the micropores. The three fluorescent systems exhibited different fluorescence behaviors (fluorescence maximum and intensity) depending on the C2-H acidity scale of the RTILs (or their anion type). Acridine gels hybridized with [bmim]$SbF_6$ and [bmim]$NTf_2$ showed blue fluorescence with relative high intensity, whereas the hybrid gel with [bmim]Cl exhibited almost no fluorescence under dry conditions. However, the acridine/[bmim]Cl hybrid system in the micro-porous PLA membrane started to emit fluorescent light under humid conditions and showed a possible response, indicating that it could be applied as a humidity sensor.

Preparation of several new spirocyclic mercapto derivatives is described. Thiol protection on multi-carbonyl compounds allows of high sulfur content necessary to induce high refractive index. Condensation of 1,3-dimercapto-2-propanol and cyclohexanone followed by successive oxidation and thioacetalization affords a dispirocycle with four sulfurs. Selective S,S-protection of cyclohexane-1,4-dione is achieved with 1,3-dimercapto-2-propanol and 2,3-dimercapto-1-propanol to provide dispirocycles with four sulfurs. Olefine-oxidation of norbornene gives a useful dialdehyde intermediate which is transformed to 1,3-dithiolane for a linearly-bound-cyclic molecule. Refractive index of linearly-bound-cycles was below 1.60 and dispirocycles exhibited high refractive index of 1.57-1.69.

A novel and convenient electrochemical method has been developed for sensitive determination of melamine (MEL) using ascorbic acid (AA) as the recognition element. The working electrode employed in this method was modified with the nanocomposite of hydroxyapatite/carbon nanotubes to enhance the current signal of recognition element. The interaction between MEL and AA was investigated by fourier transform infrared spectroscopy and cyclic voltammetry, and the experimental results indicated that hydrogen bonding was formed between MEL and AA. Because of the existing hydrogen bonding and electrostatic interaction, the anodic peak current of AA was decreased obviously while the non-electroactive MEL added in. It illustrated that the MEL acted as an inhibitor to the oxidation of AA and the decreasing signals can be used to detect MEL. Under the optimal conditions, the decrease in anodic peak current of AA was proportional to the MEL concentrations ranging from 10 to 350 nM, with a detection limit of 1.5 nM. Finally this newly-proposed method was successfully employed to detect MEL in infant formula and milk, and good recovery was achieved.

Cold shock proteins (CSPs) are a family of proteins induced at low temperatures. CSPs bind to single-stranded nucleic acids through the ribonucleoprotein 1 and 2 (RNP 1 and 2) binding motifs. CSPs play an essential role in cold adaptation by regulating transcription and translation via molecular chaperones. The solution nuclear magnetic resonance (NMR) or X-ray crystal structures of several CSPs from various microorganisms have been determined, but structural characteristics of psychrophilic CSPs have not been studied. Therefore, we optimized the purification process to obtain highly pure Lm-Csp and determined the three-dimensional structure model of Lm-Csp by comparative homology modeling using MODELLER on the basis of the solution NMR structure of Bs-CspB. Lm-Csp consists of a ${\beta}$-barrel structure, which includes antiparallel ${\beta}$ strands (G4-N10, F15-I18, V26-H29, A46-D50, and P58-Q64). The template protein, Bs-CspB, shares a similar ${\beta}$ sheet structure and an identical chain fold to Lm-Csp. However, the sheets in Lm-Csp were much shorter than those of Bs-CspB. The Lm-Csp side chains, E2 and R20 form a salt bridge, thus, stabilizing the Lm-Csp structure. To evaluate the contribution of this ionic interaction as well as that of the hydrophobic patch on protein stability, we investigated the secondary structures of wild type and mutant protein (W8, F15, and R20) of Lm-Csp using circular dichroism (CD) spectroscopy. The results showed that solvent-exposed aromatic side chains as well as residues participating in ionic interactions are very important for structural stability. Further studies on the three-dimensional structure and dynamics of Lm-Csp using NMR spectroscopy are required.

This study examined the effects of the epoxidized castor oil (ECO) and $Al_2O_3$ content on the thermal stability and fracture toughness of the diglycidylether of bisphenol-A (DGEBA)/ECO/$Al_2O_3$ ternary composites using a range of techniques. The thermal stability of the composites was decreased by the addition of ECO and $Al_2O_3$ nanoparticles. The fracture toughness of the composites was improved significantly by the addition of ECO and $Al_2O_3$ nanoparticles. The composite containing 3 wt % $Al_2O_3$ nanoparticles showed the maximum flexural strength. Scanning electron microscopy (SEM) revealed tortuous cracks in the DGEBA/ECO/$Al_2O_3$ composites, which prevented deformation and crack propagation.

New polynuclear poly(hexaaza macrocyclic) copper(II) complexes $[1](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, $[2](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$, and $[3](ClO_4)_{2n}{\cdot}(H_2O)_{2n}$ have been prepared by the one-pot reaction of formaldehyde with ethylenediamine and 1,2-bis(2-aminoethoxy)ethane, 1,3-diaminopropane, or 1,6-diaminohexane in the presence of the metal ion. The polymer complexes contain fully saturated 14-membered hexaaza macrocyclic units (1,3,6,8,10,13-hexaazacyclotetradecane) that are linked by $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-N$, $N-(CH_2)_3-N$, or $N-(CH_2)_6-N$ chains. The mononuclear complex $[Cu(H_2L^5)](ClO_4)_4$ ($H_2L^5$ = a protonated form of $L^5$) bearing two $N-(CH_2)_2-O-(CH_2)_2-O-(CH_2)_2-NH_2$ pendant arms has also been prepared by the metal-directed reaction of ethylenediamine, 1,2-bis(2-aminoethoxy)ethane, and formaldehyde. The polymer complexes were characterized employing elemental analyses, FT-IR and electronic absorption spectra, molar conductance, X-ray diffraction (XRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and scanning electron micrograph (SEM). Electronic absorption spectra of the complexes show that each macrocyclic unit of them has square-planar coordination geometry with a 5-6-5-6 chelate ring sequence. The polymer complexes as well as $[Cu(H_2L^5)]^{4+}$ are quite stable even in concentrated $HClO_4$ solutions. Synthesis and characterization of the polynuclear and mononuclear copper(II) complexes are reported.

Green phosphors $(Zn_{1-a-b}M_aM^{\prime}_b)_xGa_yS_{x+3y/2}:Eu^{2+}$ (M, M' = alkali earth ions) with x = 2 and y = 2-5 were prepared, starting from ZnO, MgO, $SrCO_3$, $Ga_2O_3$, $Eu_2O_3$, and S with a flux $NH_4F$ using a conventional solidstate reaction. A phosphor with the composition of $(Zn_{0.6}Sr_{0.3}Mg_{0.1})_2Ga_2S_5:Eu^{2+}$ produced the strongest luminescence at a 460-nm excitation. The observed XRD patterns indicated that the optimized phosphor consisted of two components: zinc thiogallate and zinc sulfide. The characteristic green luminescence of the $ZnS:Eu^{2+}$ component on excitation at 460 nm was attributed to the donor-acceptor ($D_{ZnGa_2S_4}-A_{ZnS}$) recombination in the hybrid boundary. The optimized green phosphor converted 17.9% of the absorbed blue light into luminescence. For the fabrication of light-emitting diode (LED), the optimized phosphor was coated with MgO using magnesium nitrate to overcome their weakness against moisture. The MgO-coated green phosphor was fabricated with a blue GaN LED, and the chromaticity index of the phosphor-cast LED (pc-LED) was investigated as a function of the wt % of the optimized phosphor. White LEDs were fabricated by pasting the optimized green (G) and the red (R) phosphors, and the commercial yellow (Y) phosphor on the blue chips. The three-band pc-WLED resulted in improved color rendering index (CRI) and corrected color temperature (CCT), compared with those of the two-band pc-WLED.

Poly(3,4-ethylenedioxythiophene) coated Manganese Dioxide (PEDOT/$MnO_2$) composite electrode was fabricated by simply immersing the $MnO_2$ electrode in an acidic aqueous solution containing 3,4-ethylenedioxythiophene (EDOT) monomers. Analysis of open-circuit potential of the $MnO_2$ electrode in the solution indicates the reduction of outer surface of $MnO_2$ to dissolved $Mn^{2+}$ ions and simultaneously oxidation of EDOT monomer to PEDOT on the $MnO_2$ surface to form a PEDOT shell via a galvanic displacement reaction. Analysis of cyclic voltammograms and specific capacitance of the PEDOT/$MnO_2$, conductive carbon added $MnO_2$ and conductive carbon added PEDOT/$MnO_2$ electrodes suggests that the conductive carbon acted mainly to provide a continuous conducting path in the electrode to improve the rate capability and the PEDOT layer on $MnO_2$ acts to increase the active reaction site of $MnO_2$.

$SnO_2@carbon$ tube-core nanowire was synthesized via a facile self-organized method, which was in situ by one step via Chemical Vapor Deposition. The resulting composite was characterized by scanning electron microscopy, X-ray diffraction and transmission electron microscope. The diameter of the single nanowire is between 5 nm and 60 nm, while the length would be several tens to hundreds of micrometers. Then X-ray diffraction pattern shows that the composition is amorphous carbon and tin dioxide. Transmission electron microscope images indicate that the nanowire consists of two parts, the outer carbon tube and the inner tin dioxide core. Meanwhile, the possible growth mechanism of $SnO_2@carbon$ tube-core nanowire is also discussed.

In the present study, we suggest a new way to reactivate performance of direct formic acid fuel cell (DFAFC) and explain its mechanism by employing electrochemical analyses like chronoamperometry (CA) and cyclic voltammogram (CV). For the evaluation of DFAFC performance, palladium (Pd) and platinum (Pt) are used as anode and cathode catalysts, respectively, and are applied to a Nafion membrane by catalyst-coated membrane spraying. After long DFAFC operation performed at 0.2 and 0.4 V and then CV test, DFAFC performance is better than its initial performance. It is attributed to dissolution of anode Pd into $Pd^{2+}$. By characterizations like TEM, Z-potential, CV and electrochemical impedance spectroscopy, it is evaluated that such dissolved $Pd^{2+}$ ions lead to (1) increase in the electrochemically active surface by reduction in Pd particle size and its improved redistribution and (2) increment in the total oxidation charge by fast reaction rate of the Pd dissolution reaction.

A novel biguanide-functionalized $Fe_3O_4/SiO_2$ magnetite nanoparticle with a core-shell structure was developed for utilization as a heterogeneous organosuperbase in chemical transformations. The structural, surface, and magnetic characteristics of the nanosized catalyst were investigated by various techniques such as transmission electron microscopy (TEM), powder X-ray diffraction (XRD), vibrating sample magnetometry (VSM), elemental analyzer (EA), thermogravimetric analysis (TGA), $N_2$ adsorption-desorption (BET and BJH) and FT-IR. The biguanide-functionalized $Fe_3O_4/SiO_2$ nanoparticles showed a superpara-magnetic property with a saturation magnetization value of 46.7 emu/g, indicating great potential for application in magnetically separation technologies. In application point of view, the prepared catalyst was found to act as an efficient recoverable nanocatalyst in nitroaldol and domino Knoevenagel condensation/Michael addition/cyclization reactions in aqueous media under mild condition. Additionally, the catalyst was reused six times without significant degradation in catalytic activity and performance.

The adsorption properties of benzene, toluene, p-xylene in MCM-41 with heterogeneous and cylindrical pore were studied using grand canonical ensemble Monte Carlo simulation. The simulated isotherms were compared with experimental ones, and the different adsorption behaviors in MCM-41 with pore diameters of 2.2 and 3.2 nm were investigated. The simulated adsorption amounts above the capillary-condensation pressure agreed with the experimental ones. The simulation results showed that most molecular planes were nearly parallel to the pore axis. This orientation was not affected by the molecular position in the pore. The molecular planes were nearly parallel to the pore surface for the adsorbate molecules close to the pore wall, and the molecules in the MCM-41 with the pore diameter of 3.2 nm were ordered along the pore axis.

The present study investigates how the thermal stability of retinol (vitamin A) encapsulated in polyester nanoparticles is influenced by the types of polyester used for the nanoparticles. A variety of polyester-retinol nanoparticles were prepared with various polyesters like: poly(ethylene adipate), PEA; poly(butylene adipate), PBA; poly(hexamethylene adipate), PHMA; and three polycaprolactones, PCL, of different molecular weights ($M_n$ ~10, 40, and 80K). The chemical stability of retinol in these nanoparticles, monitored in an aqueous solution at $25^{\circ}C$ and $40^{\circ}C$ for 4 weeks, was high in the following order of the nanoparticles prepared with PHMA > PCL 40K > PCL 10K > PCL 80K > PBA~PEA at $25^{\circ}C$ and PCL 10K > PCL 40K > PHMA > PCL 80K > PEA > PBA at $40^{\circ}C$. More importantly, this study has also found that the thermal stability of the retinol in the nanoparticles was closely connected with the melting temperatures of polyesters and polyester nanoparticles. The results were further discussed with possible factors - such as sample preparation condition (or history) and miscibility between the polyesters and retinol - affecting $T_m$ of the polyesters and the nanoparticles.

We successfully synthesized $Fe_3O_4@SiO_2$ nanoparticles with ultrathin silica layer of $1.0{\pm}0.5$ nm that polyethyleneimine (PEI) with low molecular weight of 2.0-4.0 kDa was covalently conjugated with the resulting $Fe_3O_4@SiO_2$ nanoparticles by silane coupling reaction. The PEI-$Fe_3O_4@SiO_2$ nanoparticles were further used as gene delivery vector for a human fibroblast cell (IMR-90) line. Gene transfection efficiency of the PEI-$Fe_3O_4@SiO_2$ complexes did not increase remarkably after magnetofection; however, the addition of Lipofectamine 2000 significantly increased the transfection efficiency of the PEI-$Fe_3O_4@SiO_2$ complexes. We believe that the present approach could be utilized for magnetofection as alternative to $Fe_3O_4$ nanoparticles conjugated with the PEI of high molecular weight thanks to its relatively low cytotoxicity and high transfection efficiency.

The discovery that threosyl phosphonate nucleoside (PMDTA, $EC_{50}=2.53{\mu}M$) is a potent anti-HIV agent has led to the synthesis and biological evaluation of 5'-deoxy versions of threosyl phosphonate nucleosides. In the present study, (E)-3'-phosphonoalkenyl and 3'-phosphonoalkyl nucleoside analogues 13, 16, 20 and 23 were synthesized from acetol and tested for anti-HIV activity and cytotoxicity. The adenine analogue 16 was found to exhibit moderate in vitro anti-HIV-1 activity ($EC_{50}=22.2{\mu}M$).

Hexafluoroisopropanol (HFIP) is explored as an effective medium for the synthesis of quinoxaline derivatives in high yields at room temperature. The solvent (HFIP) can be readily separated from reaction products and recovered in excellent purity for direct reuse.

A series of heterocyclic chalcone derivatives bearing heterocycles such as thiophene or furan ring as an isostere of benzene ring were carefully prepared, and the influence of heterocycles on 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activities was systematically investigated. Structure-activity relationships (SAR) analysis showed that the activities of thiophene ring-containing chalcones were higher than those of furan ring-containing chalcones, and the presence of methyl substituent of heterocyclic ring distinctly affected the activities compared with non-substituted heterocycles in an opposite manner, with the 4'-methyl group of thiophene ring increasing activity and the 3'-methyl group of the furan ring decreasing activity. The distinct isosteric effect of heterocycles (i.e., thiophene or furan ring) on radical scavenging activities of heterocyclic chalones was distinctly demonstrated in our work.

Cysteine capped silver nanoparticles (Cys-AgNPs) have been synthesized by employing electrochemically active biofilm (EAB), $AgNO_3$ as precursor and sodium acetate as electron donor in aqueous solution at $30^{\circ}C$. Cys-AgNPs of 5-10 nm were synthesized and characterized by UV-Vis, FT-IR, XRD and TEM. Capping of the silver nanoparticles with cysteine provides stability to nanoparticles by a thiolate bond between the amino acid and the nanoparticle surface and hydrogen bonding among the Cys-AgNPs. In addition, the antibacterial effects of as-synthesized Cys-AgNPs have been tested against two pathogenic bacteria Escherichia coli (O157:H7) and Pseudomonas aeruginosa (PAO1). The results demonstrate that the as-synthesized Cys-AgNPs can proficiently inhibit the growth and multiplication of E. coli and P. aeruginosa.

Novel 1,4-substituted piperazine derivatives 5, Series A and B were designed by fragment analysis and molecular modification of 4 selected piperazine-containing compounds which possess antidepressant activity. We synthesized new 39 analogues of Series A and 10 compounds of Series B, respectively. The antidepressant screening against DA, NE, and serotonin neurotransmitter uptake inhibition was carried out using the Neurotransmitter Transporter Uptake Assay Kit. The compounds in Series B showed relatively higher reuptake inhibitory activity for SERT, NET, and DAT than those in Series A. The length of spacer between the central piperazine core and the terminal phenyl ring substituted at the piperazine ring in Series B seems to exert an important role in the activity.

A novel mononuclear supramolecule of copper(II) has been synthesized with Ippyt ligand (Ippyt=3-(4'-imidazole phenyl)-5-(pyrid-2''-yl)-1,2,4-triazole) (1). Compound 1, namely [$Cu(Ippyt)_2(H_2O)_2$], has been characterized by single-crystal X-ray diffraction, IR spectrum, elemental analysis and thermogravimetric analysis. Structure determination reveals that the elongated-octahedral geometry is formed in the vicinity of the copper (II) atom being coordinated by four nitrogen atoms from two Ippyt ligands occupying the equatorial position and two oxygen atoms from two coordinated water molecules in the axial position, which together form the $N_4O_2$ donor set. Hydrogen bonding interactions between nitrogen and oxygen atoms result in the set up of a supramolecular network architecture. Biological properties including antibacterial activity and superoxide dismutase (SOD) mimetic activity of compound 1 have been investigated by agar diffusion method and the modified Marklund method, respectively. The results indicate that compound 1 exhibits a stronger antibacterial efficiency than the parent ligand and it also has a certain radical-scavenging activity.

A simple green method was developed for rapid synthesis of silver and gold nanoparticles (AgNPs and AuNPs) has been reported using Lonicera japonica flower extract as a reducing and a capping agent. AgNPs and AuNPs were carried out at $70^{\circ}C$. The successful formation of AgNPs and AuNPs have been confirmed by UV-Vis spectro photometer, fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), energy dispersive X-ray Analysis (EDAX), scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM). To our knowledge, this is the first report where Lonicera japonica flower was found to be a suitable plant source for the green synthesis of AgNPs and AuNPs.

Hydrothermal route have been used in different conditions for preparation of $Ni(OH)_2$ nanostructures. The NiO nanoparticles were obtained by calcining the $Ni(OH)_2$ precursor at $450^{\circ}C$ for 2 h. The effect of sodium dodecyl sulfonate (SDS) as surfactant on the morphology and size of $Ni(OH)_2$ nanoparticles were discussed in detail. X-ray diffraction (XRD), Scanning electron microscopy (SEM), Transmission electron microscopy (TEM) and Fourier transform infrared (FT-IR) spectroscopy were used to characterize the products. The growth mechanism of the as-synthesized nanostructures was also discussed in detail based on the experimental results. Coming up, the NiO nanoparticle modified carbon paste electrode was applied to the determination of captopril in aqueous solution.

Bromination and iodination of the aromatic compounds have efficiently been carried out at room temperature and $70^{\circ}C$, respectively, in short reaction times using orthoperiodic acid/sodium bromide (1:2) and orthoperiodic acid/sodium iodide (1:2) in water to prepare the corresponding halo compounds with excellent yields.

A series of functionalized furans were synthesized by way of a palladium-catalyzed coupling reaction of 2,3,5-trisubstituted furans with aryl chlorides through C-H bond cleavages at C-4 position. The feature of the reaction was facilitative preparation of furan derivatives with good functional group tolerance. All reactions gave the desired products in moderate to good yields in the presences of $BuAd_2P$ and t-BuOK in DMF at $120^{\circ}C$ after 15 h.

Strobilurins are one of the most important classes of agricultural fungicides. To discover new strobilurin derivatives with high activity against resistant pathogens, a series of novel ${\beta}$-methoxyacrylate analogues were designed and synthesized by integrating substituted pyrimidine with a strobilurin pharmacophore. The compounds were confirmed and characterized by infrared, $^1H$ nuclear magnetic resonance, elemental analysis and mass spectroscopy. The bioassays indicated that most of the compounds (1a-1h) exhibited potent antifungal activities against Colletotrichum orbiculare, Botrytis cinerea Pers and Phytophthora capsici Leonian at the concentration of 50 ${\mu}g/mL$. Exhilaratingly, compound 1d (R=3-trifluoromethylphenyl) showed better antifungal activity against all the tested fungi than the commercial strobilurin fungicide azoxystrobin.

Novel silver/salep-g-poly(acrylic acid) nanocomposite hydrogel were prepared in aqueous solution using poly(acrylic acid) grafted onto salep as a biopolymer based material. FT-IR spectra confirmed that poly(acrylic acid) (PAA) had been grafted onto salep in graft copolymerization reaction. TEM observations showed that silver nanoparticles have been uniformly dispersed in polymeric matrix. Effects of pH, acrylic acid (AA) amount and silver ion concentration on swelling capabilities were investigated. Results indicate that modifying AA and silver ion can improve swelling properties of the resultant nanocomposite hydrogel. pH response of this nanocomposite hydrogel in acidic and neutral pH made it suitable for drug delivery applications.

Pretreatment of spent FCC catalyst and its application in remove trace olefins in aromatics were investigated in this research. The most effective pretreatment route of spent FCC catalyst was calcining at $700^{\circ}C$ for 1 h, washing with 5% oxalic acid solution in ultrasonic reactor and dried. Treated spent FCC catalyst was modified with metal halides, then to prepare catalyst to remove trace olefins in aromatics. X-ray diffraction, Pyridine-FTIR, $N_2$ adsorption-desorption and inductively coupled plasma optical emission spectrometer (ICP-OES) were used to investigate the pretreatment process. The result showed that the performance of the treated spent FCC catalyst was much greater than that of the spent FCC catalyst, which indicted the possibility and improvement of this research.

The total synthesis of biologically interesting ${\beta}$-hydroxypyranochalcones, purpurenone (1), its derivative 2, praecansone B (3), and pongapinone A (4) has been accomplished starting from commercially available 2,4-dihydroxyacetophenone or 6-methoxy-2,4-dihydroxyacetophenone in 3 steps by a convergent strategy through benzopyran formations, O-methylations, and coupling reactions.

Sulfonated cellulose tris(3,5-dimethylphenylcarbamate) (SCDMPC)-coated zirconia monolith (ZM) was used as the chiral stationary phase in capillary electrochromatography for separation of enantiomers of ten chiral compounds in acetonitrile (ACN)-phosphate buffer mixtures as the eluent. Influences of the ACN content, buffer concentration and pH on chiral separation have been investigated. Separation data on SCDMPC-ZM have been compared with those on CDMPC-ZM. Resolution factors were better on SCDMPC-ZM than CDMPC-ZM while retention factors were in general shorter on the former than the latter. Best chiral resolutions on SCDMPC-ZM were obtained with the eluent of 50% ACN containing 50 mM phosphate at pH around 4.

We obtain the general formulation which can handle the rotational preionization spectrum of $H_2$ in the region above its ${H_2}^+$ ionization threshold, ($^2{\sum}_g^+$, ${\nu}^+=0$, $N^+=0$) converging toward its rotationally excited (${\nu}^+=0$, $N^+=2$) limit and perturbed by the vibrationally excited levels $7p{\pi}$ ${\nu}=1$ and $5p{\pi}$ ${\nu}^=2$. The formulation is based on phase-shifted multichannel quantum-defect theory. With this formulation, resonance structures are analyzed in detail.

Crown ether is one of well-known host molecules and able to selectively sequester metal cation. We employed M06-2X density functional theory with IEFPCM and SMD continuum solvation models to study selectivity of dibenzo-18-crown-6-ether (DB18C6) for alkaline earth dications, $Ba^{2+}$, $Sr^{2+}$, $Ca^{2+}$, and $Mg^{2+}$ in the gas phase and in aqueous solution. $Mg^{2+}$ showed predominantly strong binding affinity in the gas phase because of strong polarization of CO bonds by cation. In aqueous solution, binding free energy differences became smaller among these dications. However, $Mg^{2+}$ had the best binding, being incompatible with experimental observations in aqueous solution. The enthalpies of the dication exchange reaction between DB18C6 and water cluster molecules were computed as another estimation of selectivity in aqueous solution. These results also demonstrated that $Mg^{2+}$ bound to DB18C6 better than $Ba^{2+}$. We speculated that the species determining selectivity in water could be 2:1 complexes of two DB18C6s and one dication.

Studies on niobium anodization in the mixture of 1 M $H_3PO_4$ and 1 wt % HF at galvanostatic anodization are described here in detail. Interestingly, duplex niobium oxide consisting of thick barrier oxide and correspondingly thick porous oxide was prepared at a constant current density of higher than 0.3 $mAcm^{-2}$, whereas simple porous type oxide was formed at a current density of lower than 0.3 $mAcm^{-2}$. In addition, simple barrier or porous type oxide was obtained by galvanostatic anodization at a single electrolyte of either 1 M $H_3PO_4$ or 1 wt % HF, respectively. The formation mechanism of duplex type structures was ascribed to different forming voltages required for moving anions.

A simple one-pot synthesis of two derivatives of 1,4-dihydropyridines has been described under reflux conditions using copper iodide nanoparticles (CuI NPs) as a catalyst in high yields. This method demonstrated four-component coupling reactions of aldehydes and ammonium acetate via two pathways. In one route, the reaction was performed using 2 eq ethyl acetoacetate while in the other one 1 eq ethyl acetoacetate and 1 eq malononitrile were used. The CuI NPs was reused and recycled without any loss of activity and product yield. It is noteworthy to state that wide range of the 1,4-dihydropyridines have attracted large interest due to pharmacological and biological activities.

The position of the thermodynamic equilibrium for reverse thermochromic spiropyran 6-carboxylates (SP-COOHs) was easily determined in aqueous binary mixtures, such as water-methanol, water-acetonitrile and water-dimethyl sulfoxide. The existence of more than one type of interconvertible species of the ring-opened form of SP-COOH in aqueous binary solvents enables us to evaluate the molar extinction coefficients of the ring-opened species of SP-COOH and to obtain the thermodynamic parameters.

Single-walled carbon nanotubes (SWNTs) and $C_{60}$-encapsulated SWNTs ($C_{60}@SWNTs$) are introduced to Ru-sensitized photoelectrochemical cells (PECs), and photocurrents are compared between two cells, i.e., an $RuL_2(NCS)_2$/DAPV/SWNTs/ITO cell and an $RuL_2(NCS)_2$/DAPV/$C_{60}@SWNTs$/ITO cell. [L = 2,2'-bipyridine-4,4'-dicarboxylic acid, DAPV = di-(3-aminopropyl)-viologen, and ITO = indium-tin oxide] The photocurrents are increased by 70.6% in the presence of $C_{60}@SWNTs$. To explain the photocurrent increase, the reverse-field emission method is used, i.e., $RuL_2(NCS)_2$/DAPV/SWNTs/ITO cell (or $RuL_2(NCS)_2$/DAPV/$C_{60}@SWNTs$/ITO cell) as an anode and a counter electrode Pt as a cathode in the external electric field. The improved field emission properties, i.e., ${\beta}$ (field enhancement factor) and emission currents in the reverse-field emission with $C_{60}@SWNTs$ indicate the enhancement of the PEC electric field, which implies the improvement of the electron transfer rate along with the reduced charge recombination in the cell.

Materials on the scale of nanoscale have widely been used as research topics because of their interesting characteristics and aspects they bring into the field. Out of the many metal oxides, zinc oxide (ZnO) was chosen to be fabricated as nanofibers using the electrospinning method for potential uses of solar cells and sensors. After ZnO nanofibers were obtained, calcination temperature effects on the ZnO nanofibers were studied and reported here. The results of scanning electron microscopy (SEM) revealed that the aggregation of the ZnO nanofibers progressed by calcination. X-ray diffraction (XRD) study showed the hcp ZnO structure was enhanced by calcination at 873 and 1173 K. Transmission electron microscopy (TEM) confirmed the crystallinity of the calcined ZnO nanofibers. X-ray photoelectron spectroscopy (XPS) verified the thermal oxidation of Zn species by calcination in the nanofibers. These techniques have helped us deduce the facts that the diameter of ZnO increases as the calcination temperature was raised; the process of calcination affects the crystallinity of ZnO nanofibers, and the thermal oxidation of Zn species was observed as the calcination temperature was raised.

Gold-polypyrrole segment nanowires prepared using anodized aluminum oxide templates can be assembled into a curved superstructure that shows stimuli-induced contraction and expansion. The radius of the superstructures can be predicted using the simple equation suggested by J. K. Lim et al. (Nano Lett. 8, 4441 (2008)). The suggested equation, however, is valid only within the limiting condition in that the length of the polypyrrole segment is comparable to, or much longer than the gold segment. In this study, the original equation was modified to a new equation that is valid for all length scales of polypyrrole segments. The radius of the superstructures calculated using the modified equation was compared with the result calculated by the original equation, and the validity of the modified equation is discussed.

New C60 fullerenes derivatives [G1]-C60 (1) and [G2]-C60 (2) comprising of phenylenevinylene bridges and phenylquinoline peripheral surface groups were synthesized by 1,3-dipolar cycloaddition reaction of fullerene C60 with azomethine ylide in situ generated from [Gx]-CHO dendrons (x = 1 and 2) and sarcosine.

The nucleophilic substitution reactions of O-ethyl phenyl phosphonochloridothioate with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) are kinetically investigated in acetonitrile at $55.0^{\circ}C$. The deuterium kinetic isotope effects (DKIEs) invariably increase from a secondary inverse DKIE ($k_H/k_D$ = 0.93) to a primary normal DKIE ($k_H/k_D$ = 1.28) as the substituent of nucleophile (X) changes from electron-donating to electron-withdrawing. These can be rationalized by the gradual transition state (TS) variation from a backside to frontside attack. A concerted $S_N2$ mechanism is proposed. A trigonal bipyramidal TS is proposed for a backside attack while a hydrogen-bonded, four-center-type TS is proposed for a frontside attack.

The alkylation of the ambident enolates of a methyl glycinate Schiff base with ethyl chloride was studied at B3LYP and MP2 levels with $6-31+G^*$ basis set. The free (E)-enolates and (Z)-enolate are similar in energy and geometry. The transition states for the alkylation of the free (E)/(Z)-enolate with ethyl chloride have similar energy barriers of ~13 kcal/mol. However, with a lithium ion, the (E)-enolate behaves as an ambident enolate and makes a cyclic lithium-complex in bidentate pattern which is more stable by 11-23 kcal/mol than the (Z)-enolate-lithium complexes. And the TS for the alkylation of (E)-enolate-lithium complex coordinated with one methyl ether is lower in energy than those from (Z)-enolate-lithium complexes by 4.3-7.3 kcal/mol. Further solvation model (SCRF-CPCM) and reaction coordinate (IRC) were studied. This theoretical study suggests that the alkylation of ambident enolates proceeds with stable cyclic bidentate complexes in the presence of metal ion and solvent.

A kinetic study is reported for nucleophilic substitution reactions of benzyl 4-pyridyl carbonate 6 with a series of alicyclic secondary amines in MeCN. The plot of pseudo-first-order rate constant ($k_{obsd}$) vs. [amine] curves upward, which is typical for reactions reported previously to proceed through a stepwise mechanism with two intermediates (i.e., a zwitterionic tetrahedral intermediate $T^{\pm}$ and its deprotonated form $T^-$). Dissection of $k_{obsd}$ into the second- and third-order rate constants (i.e., $Kk_2$ and $Kk_3$, respectively) reveals that $Kk_3$ is significantly larger than $Kk_2$, indicating that the reactions proceed mainly through the deprotonation pathway (i.e., the $k_3$ process) in a high [amine] region. This contrasts to the recent report that the corresponding aminolysis of benzyl 2-pyridyl carbonate 5 proceeds through a forced concerted mechanism. An intramolecular H-bonding interaction was suggested to force the reactions of 5 to proceed through a concerted mechanism, since it could accelerate the rate of leaving-group expulsion (i.e., an increase in $k_2$). However, such H-bonding interaction, which could increase $k_2$, is structurally impossible for the reactions of 6. Thus, presence or absence of an intramolecular H-bonding interaction has been suggested to be responsible for the contrasting reaction mechanisms (i.e., a forced concerted mechanism for the reaction of 5 vs. a stepwise mechanism with $T^{\pm}$ and $T^-$ as intermediates for that of 6).

A new heterogeneous acidic catalyst was successfully prepared by impregnation of silica (Aerosil 300) by an acidic ionic liquid, named 1-(4-sulfonic acid)butylpyridinium hydrogen sulfate [$PYC_4SO_3H$][$HSO_4$], and characterized using FT-IR spectroscopy, the $N_2$ adsorption/desorption analysis (BET), thermal analysis (TG/DTG), and X-ray diffraction (XRD) techniques. The amount of loaded acidic ionic liquid on Aerosil 300 support was determined by acid-base titration. This new solid acidic supported heterogeneous catalyst exhibits excellent activity in the synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones by cyclocondensation reaction of 2-aminobenzamide with aromatic aldehydes under solvent-free conditions and the desired products were obtained in very short reaction times with high yields. This catalyst has the advantages of an easy catalyst separation from the reaction medium and lower problems of corrosion. Recycling of the catalyst and avoidance of using harmful organic solvent are other advantages of this simple procedure.

The use of pyrimethamine as antibacterial drug is limited by the poor solubility. To enhance its solubility, we prepared complexes of pyrimethamine with low-molecular-weight succinoglycan isolated from Sinorhizobium meliloti. Low-molecular-weight succinoglycans are monomers, dimers, and trimers of the succinoglycan repeating unit. The monomers and dimers were separated into their three species (M1, M2, and M3) and four fractions (D1 to D4) using chromatographic techniques, which were shown to be nontoxic. The solubility of pyrimethamine was markedly increased up to 42 fold by succinoglycan D3, where the level of its solubility enhancement was even 8-20 fold higher comparing with cyclodextrin or its derivatives. The complex formation of succinoglycan D3 with pyrimethamine was confirmed by $^1H$ nuclear magnetic resonance spectroscopy, Fourier-transform infrared spectroscopy, differential scanning calorimetry, scanning electron microscopy, and molecular modeling studies. Herein, we suggest that the low-molecular-weight succinoglycans may be utilized as highly effective solubilizers of pyrimethamine for pharmaceutical purposes.

The use of plants to remove toxic metals from soil (phytoremediation) is emerging as a cost-effective alternative to conventional methods for the removal of heavy metals from contaminated soil. Indian mustard (Brassica juncea) was used as the plant to accumulate high tissue concentrations of lead when grown in contaminated soil. For this study, the application of an electric field combined effectively with EDTA-enhanced phytoremediation. A stimulation of direct and alternating electric potential was compared and EDTA-enhanced phytoremediation of lead using Indian mustard has been performed. The effects of experimental parameters such as operating voltage with different concentration of EDTA, the number of graphite electrodes, and cultivation period on the removal of toxic metal were studied. Shoot lead accumulations in Indian mustard increased as the concentration of EDTA and dc electric potential was increased. Two to four folds was increased when EDTA plus a dc electric potential was applied, compared to an ac electric potential. The maximum lead accumulation in the shoots was achieved by applying EDTA plus dc electric potential with 6 graphite electrodes.

A new series of 2,5-disubstituted-1,3,4-thiadiazoles 6a-i was synthesized by overnight stirring various 1,4-disubstituted thiosemicarbazides 5a-i in polyphosphoric acid followed by neutralization. The structures of newly synthesized compounds 5a-i and 6a-i were characterized by IR, $^1H$ and $^{13}C$ NMR, elemental analysis and mass spectrometric studies. All the synthesized compounds were evaluated for their urease and acetylcholine esterase inhibition activities. Thiosemicarbazides 5a-i are found to possess excellent potential for urease inhibition, more than the standard drug. Thiosemicarbazides 5a-i are more potent urease inhibitor than their cyclic analogues thiadiazoles 6a-i. Almost all of the compounds are excellent inhibitors of acetylcholine esterase. The inhibition of acetylcholine esterase of compounds 5a, 5c, 5d, 5g, 5i, 6e, 6f, 6g, and 6i is much more than that of standard drug.

Cr(III) and Co(III) complexes with acetylacetonate were anchored onto a mesoporous MCM-41 through Schiff condensation. The materials were characterized by XRD, FT-IR, BET, CHN and ICP techniques. Elemental analysis of samples revealed that one C=N bond was formed through Schiff condensation on MCM-41 surface. The catalysts were tested for the alcohol oxidations using t-butyl hydroperoxide (TBHP) and $H_2O_2$ as oxidant. The catalytic experiments were carried out at both room temperature and reflux condition. Various solvents such as dichloromethane, acetonitrile and water were examined in the oxidation of alcohols. Among the different solvents, catalytic activity is found more in acetonitrile. Further, the catalysts were recycled three times in the oxidation of alcohols and no major change in the conversion and selectivity is observed, which shows that the immobilized metal-acetylacetonate complexes are stable under the present reaction conditions.