Titania spheres were synthesized using binary ionic liquids to examine the electrocatalytic activity in acid solution. The morphology of $TiO_2$ particles was significantly different with the composition of ionic liquids. Among the binary ionic liquids, four set of mixtures led to the formation of $TiO_2$ sphere with various sizes. The morphology and structure of $TiO_2$ particles were characterized by XRD, $N_2$ physisoption and SEM analysis. All samples possessed an anatase phase after calcinations at $500^{\circ}C$. The structural properties of the samples were varied significantly with the morphology. In cyclic voltammograms, the morphology of $TiO_2$ spheres affected the electrocatalytic activity in water electrolysis. Among the samples, [Omim][$BF_4$]+[Hmim][$BF_4$] was the most effective ionic liquid to synthesize $TiO_2$ sphere with optimum morphology showing the highest electocatalytic performance.

A facile route for the synthesis of dimethyl glutarate (DMG) from cyclobutanone and dimethyl carbonate (DMC) in the presence of solid base catalysts has been developed. It was found that the intermediate carbomethoxycyclobutanone (CMCB) was produced from cyclobutanone with DMC in the first step, and then CMCB was further converted to DMG by reacting with a methoxide group. The role of the basic catalysts can be mainly ascribed to the activation of cyclobutanone $via$ the abstraction of a proton in the ${\alpha}$-position by base sites, and solid bases with moderate strength, such as MgO, favor the formation of DMG.

We have investigated binding between wild-type and mutant Heat Shock Factor (HSF) DNA binding domains (DBDs) with 17-bp HSE containing a central 5'-NGAAN-3' element by equilibrium analytical ultracentrifugation using multi-wavelength technique. Our results indicate that R102 plays critical role in HSE recognition and the interactions are characterized by substantial negative changes of enthalpy (${\Delta}H^0_{\theta}=-9.90{\pm}1.13kcal\;mol^{-1}$) and entropy (${\Delta}S^0_{\theta}=-12.46{\pm}3.77cal\;mol^{-1}K^{-1}$) with free energy change, ${\Delta}G^0_{\theta}$ of $-6.15{\pm}0.03kcal\;mol^{-1}$. N105 plays minor role in the HSE interactions with ${\Delta}H^0_{\theta}$ of $-2.54{\pm}1.65kcal\;mol^{-1}$, ${\Delta}S^0_{\theta}$ of $19.28{\pm}5.50cal\;mol^{-1}K^{-1}$ and ${\Delta}G^0_{\theta}$ of $-8.35{\pm}0.05kcal\;mol^{-1}$, which are similar to those observed for wild-type DBD:HSE interactions (${\Delta}H^0_{\theta}=-3.31{\pm}1.86kcal\;mol^{-1}$, ${\Delta}S^0_{\theta}=17.38{\pm}6.20cal\;mol^{-1}K^{-1}$ and ${\Delta}G^0_{\theta}=-8.55{\pm}0.06kcal\;mol^{-1}$) indicating higher entropy contribution for both wild-type and N105A DBD bindings to the HSE.

Layered metal hydroxides (LMHs) containing calcium were synthesized by coprecipitation in solution having two different trivalent metal ions, iron and aluminum. Two mixed metal solutions ($Ca^{2+}/Al^{3+}$ and $Ca^{2+}/Fe^{3+}$ = 2/1) were added to sodium hydroxide solution and the final pH was adjusted to ~11.5 and ~13 for CaAl-and CaFe-LMHs. Powder X-ray diffraction (XRD) for the two LMH samples showed well developed ($00l$) diffractions indicating 2-dimensional crystal structure of the synthesized LMHs. Rietveld refinement of the X-ray diffraction pattern, the local structure analysis through X-ray absorption spectroscopy, and thermal analysis also confirmed that the synthesized precipitates show typical structure of LMHs. The chemical formulae, $Ca_{2.04}Al_1(OH)_6(NO_3){\cdot}5.25H_2O$ and $Ca_{2.01}Fe_1(OH)_6(NO_3){\cdot}4.75H_2O$ were determined by inductively coupled plasma-atomic emission spectroscopy (ICP-AES). Particle morphology and thermal behavior for the synthesized LMHs were examined by field emission scanning electron microscopy and thermogravimetricdifferential scanning calorimetry.

The $NO_2$ gas sensing properties of multiple-networked, Pt-loaded $TeO_2$ nanorod sensors were examined. Scanning electron microscopy revealed nanowires with diameters of 50-100 nm and lengths of a few micrometers. Transmission electron microscopy and X-ray diffraction showed that the nanrods were tetragonal-structured, single crystal $TeO_2$. The Pt-loaded $TeO_2$ nanorod sensors exhibited sensitivities of 11.00, 10.26, 11.23 and 11.97% at $NO_2$ concentrations of 10, 50, 100 and 200 ppm, respectively, at $300^{\circ}C$. These sensitivities were more than 10 times higher than those of bare-$TeO_2$ nanorod sensors. The response times of the sensors were 310, 260, 270 and 230 sec at $NO_2$ concentrations of 10, 50, 100 and 200 ppm, respectively. The recovery times of the Pt-loaded $TeO_2$ nanorods were 390, 330, 335, and 330 sec at $NO_2$ concentrations of 10, 50, 100 and 200 ppm, respectively. The origin of the enhanced sensing properties of the $TeO_2$ nanorods by Pt loading is discussed.

$SnO_2/SiO_2$ nanocomposite has been synthesized by using sol-gel method. Prepared catalytic materials has been well characterized by using X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), Fourier transform infrared spectroscopy (FT-IR), Brunauer-Emmer-Teller (BET) surface area, and temperature-programmed desorption of ammonia ($NH_3$-TPD). $SnO_2/SiO_2$ nanocomposite catalyzed synthesis of 2-arylbenzothiazoles by the cyclocondensation of 2-aminothiophenol and aromatic aldehydes under reflux condition in 1:1 EtOH:$H_2O$. After completion of the reaction, catalyst can be recovered efficiently and reused with consistent activity.

The new semiconducting copolymers with 4,4-dialkyl-$4H$-cyclopenta[2,1-$b$:3,4-$b^{\prime}$]dithiophene and 2,2-dimethyl-$2H$-benzimidazole units were synthesized. The fused aromatic rings, such as cyclopentadithiophene (CPDT) unit, can make the polymer backbone more rigid and coplanar, which induces long conjugation length, narrow band gap, and strong intermolecular ${\pi}-{\pi}$ interaction. The stacking ability was controlled through attaching of linear or branched alkyl side chains. The spectra of PEHCPDTMBI and PHCPDTMBI in the solid films show absorption bands with maximum peaks at 401, 759 and 407, 768 nm, and the absorption onsets at 925 and 954 nm, corresponding to band gaps of 1.34 and 1.30 eV, respectively. The devices comprising PHCPDTMBI with $TiO_X$ showed a $V_{OC}$ of 0.39 V, a $J_{SC}$ of 1.14 $mA/cm^2$, and a $FF$ of 0.34, giving a power conversion efficiency of 0.15%. The PHCPDTMBI with linear alkyl chain on CPDT shows good solubility in organic solvent with higher PCE value than that of PEHCPDTMBI.

The 5-parameter Morse potential (5-MP) method for the interaction between O atom and Cr surfaces is constructed in the present work. The adsorption of O on Cr (100), (110), (111), and (211) surfaces are studied with 5-MP in detail. The fourfold hollow site of the Cr (100) surface is favored for O atom. On Cr (110), quasithreefold site is favored with the parallel frequencies (the frequencies of O atom paralleling the metal surface) of 342 and 538 $cm^{-1}$, and perpendicular frequency (the frequency of O atom perpendicular to the metal surface) at 526 $cm^{-1}$. On Cr (111), the most favored mode for O atom is found to be the quasi-threefold site with the perpendicular frequency at 553 $cm^{-1}$ and the parallel frequencies at 253 and 399 $cm^{-1}$. According to our calculation results, we speculate the most preferred mode for O adsorption on Cr (211) surface is the quasithreefold site with the perpendicular frequency at 583 $cm^{-1}$ and the parallel frequencies at 449 and 185 $cm^{-1}$.

Polyamides have great potentials for diverse applications and the present production of their monomers mostly relies on resources from fossil fuel. Starting from undecylenic acid, a natural resource, we have developed both divergent and efficient processes for $C_{10}$, $C_{11}$ and $C_{12}$ ${\omega}$-amino acid and ${\alpha},{\omega}$-dicarboxylic acid monomers of the polyamides.

The kinetic studies on the reactions of dipropyl chlorophosphate (3O) with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) have been carried out in acetonitrile at $55.0^{\circ}C$. The obtained deuterium kinetic isotope effects (DKIEs; $k_H/k_D$) are primary normal ($k_H/k_D$ = 1.09-1.01) with the strongly basic anilines while secondary inverse ($k_H/k_D$ = 0.74-0.82) with the weakly basic anilines. The steric effects of the two ligands on the rates are extensively discussed for the anilinolyses of the ($R_1O$)($R_2O$)P(=O or S)Cl-type chlorophosphates and chlorothiophosphates. A concerted mechanism is proposed with a frontside nucleophilic attack involving a hydrogen-bonded four-center-type transition state for the strongly basic anilines and with a backside attack transition state for the weakly basic anilines on the basis of the DKIEs, primary normal and secondary inverse with the strongly and weakly basic anilines, respectively.

Among 23 cytochrome P450s, CYP125A4 was proposed as a putative monooxygenase based on the high level of amino acid sequence homology (54% identity and 75% similarity) with the well characterized C27-steroid $Mycobacterium$ $tuberculosis$ CYP125A1. Utilizing MTBCYP125A1 as a template, homology modeling of SPCYP125A4 was conducted by Accelrys Discovery Studio 3.1 software. The modeled SPCYP125A4 structure with lowest energy value was subsequently assessed for its stereochemical quality and side-chain environment. The final model was generated by showing its active site through the molecular dynamics. The docking of steroids showed broad specificity of SPCYP125A4 with different orientation of ligand within active site facing the heme. One poses of C27-steroid with C26 facing the heme with distance of 3.734 ${\AA}$ from the Fe were predominant.

Vascular endothelial growth factor (VEGF) and its receptor (VEGFR) have been implicated in the pathogenesis of rheumatoid arthritis, which is angiogenesis dependent. Antibody-based molecular imaging improves targeting, and antibody radiolabeling is useful for monitoring biological events $in$ $vivo$ $via$ PET or SPECT. We investigated the potential of molecular imaging to diagnose arthritis with VEGFR-2 $in$ $vivo$. The $^{123}I$-VEGFR-2 antibody was prepared by the iodogen tube method. The radioligand was injected into arthritic mice, and micro SPECT/CT was performed. The arthritic mice were examined by 4.7-T MRI and immunohistochemistry. The $^{123}I$-VEGFR-2 antibody showed high uptake in the arthritic region at 1 h postinjection on SPECT/CT but no uptake in the control animals after radioligand injection. In MR images, the arthritic tissue of the mice was correlated with regions labeled by the $^{123}I$-VEGFR-2 antibody. Immunohistochemical localization showed markedly increased expression of VEGFR-2 in the endothelial cells, fibroblasts, and macrophages of the arthritic mice.

$SiO_2$-coated $TiO_2$ composite materials with enhanced photocatalytic activity under UV light was prepared by a simple catalytic hydrolysis method. XRD, TEM, UV-vis spectroscopy, Photoluminescence, FT-IR and XP spectra were used to characterize the prepared samples. The obvious shell-core structure was shown for obtained $SiO_2$@$TiO_2$ sample. The average thickness of the $SiO_2$ coating layer was 2-3 nm. The interaction between $SiO_2$ and $TiO_2$ restrained the recombination of excited electrons and holes. The photocatalytic activities were tested in the degradation of an aqueous solution of a reactive dyestuff, methylene blue, under UV light. The photocatalytic activity of $SiO_2$@$TiO_2$ was much higher than that of P25 and mechanical mixing sample $SiO_2/TiO_2$. The possible mechanism for the photocatalysis was proposed.

Three carbazole chromophores featuring dicyano, cyano, ethyl acetate and dimethyl acetate groups as an acceptor moiety with a ${\pi}$-conjugated spacer and $N$-methyl dibenzo[$b$]pyrole as donor were synthesized by Knovenagel condensation and characterized by IR, $^1HNMR$, $^{13}CNMR$, UV-vis, fluorescence spectroscopy, electrochemistry and theoretical B3LYP/6-$311G^*$ level whilst NLO properties and spectroscopic quantities were calculated. Calculations showed remarkable trend with HOMO located on the donor moiety and LUMO on the acceptors dicyano methylene, cyano, ethyl acetate methylene and dimethyl acetate methylene. In agreement with the calculations, solvatochromic, behavior intramolecular charge transfer band was observed in the visible region.

Ailanthoidol showed a strong $anti$-inflammatory effect in a previous result. Ailanthoidol derivatives were prepared for the $anti$-inflammatory test using Sonogashira coupling, iodine induced cyclization and Wittig reaction. $Anti$-inflammatory effects of the prepared ailanthoidol derivatives were examined in lipopolysaccharide (LPS)-stimulated RAW 264-7 macrophages. The results showed that some ailanthoidol derivatives inhibited significantly the production of inflammatory mediator nitric oxide.

The nitramine explosives with $-NH_2$ and -F groups were optimized to obtain their molecular geometries and electronic structures at DFT-B3LYP/6-31+G(d) level. The theoretical molecular density (${\rho}$), heat of formation (HOF), detonation velocity ($D$) and detonation pressure ($P$), estimated using Kamlet-Jacobs equations, showed that the detonation properties of these compounds were excellent. Based on the frequencies scaled by 0.96 and the principle of statistic thermodynamics, the thermodynamic properties were evaluated, which were respectively related with the temperature. The simulation results reveal that 1,3,5,7-tetranitro-1,3,5,7-tetrazocan-2-amine (molecule B1) performs similarly to the famous explosive HMX, and 2-fluoro-1,3,5-trinitro-1,3,5-triazinane (molecule C1) and 2-fluoro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (molecule D1) outperform HMX. According to the quantitative standard of energetics and stability as an HEDC (high energy density compound), molecules C1 and D1 essentially satisfy this requirement. These results provide basic information for molecular design of novel high energetic density compounds.

Poly(anthranilic acid) was synthesized by rapid mixing method using 5-sulphosalicylic acid as a dopant. The synthesized polymer was characterized by various techniques like FT-IR, UV-Visible, and X-ray diffraction $etc.$, The FT-IR studies reveal that the 5-sulphosalicylic acid is well doped within the polymer. The morphological property was characterized by field emission scanning electron microscopic technique. The electrochemical properties of the polymer were studied by cyclic voltammetric method. The synthesized polymer was used to modify glassy carbon electrode (GCE) and the modified electrode was found to exhibit electrocatalytic activity for the oxidation of uric acid (UA).

Adsorption of alkali metals (Li, Na, and K) on the surface of magnesium oxide nanotubes (MgONTs) with different diameters was investigated using density functional theory. According to the obtained results, the most stable adsorption site was found to be atop the oxygen atom of the tube surface with adsorption energies in the range of -0.25 to -0.74 eV. HOMO-LUMO gap ($E_g$) of the tubes dramatically decreases upon the adsorption of the alkali metals, resulting in enhancement of their electrical conductivity enhancement. The order of $E_g$ decrement caused by the metal adsorption is as follows: K > Na > Li. The results suggest that the MgONTs were transformed from semi-insulator to semiconductor upon the alkali metal adsorption. Increasing the tube diameter, the HOMO/LUMO gap of the pristine tube is enhanced and adsorption energies of the alkali metals are decreased.

Two cobalt(II) compounds $[Co(2,2{^\prime}-bipy)(H_2O)_2(SO_4)]_n$ (1) and $[Co_2(2,2^{\prime}-bipy)_2(btec)(H_2O)_6]{\cdot}2H_2O$ (2) (2,2'-bipy = 2,2'-bipyridine, $H_4btec$ = 1,2,4,5-benzenetetracarboxylic acid), have been simultaneously synthesized by a one-pot slow solvent evaporation reaction. Their structures were determined by single-crystal X-ray diffraction and further characterized by X-ray powder diffraction (XRPD), IR, elemental and thermogravimetric analysis (TGA). The structural analysis reveals that compound 1 exhibits an infinite 1D chain structure with the octahedral Co(II) centers bridging by the tetrahedral ${\mu}_2-SO{_4}^{2-}$ ligands, while compound 2 possesses a dinuclear $Co_2(2,2^{\prime}-bipy)_2(btec)(H_2O)_6$ unit and the two adjacent octahedral Co(II) ions are linked by the bismonodentately coordinated btec ligand. Additionally, compound 2 exhibits blue fluorescent emission in the solid state at room temperature.

The reaction mechanism between cyclopropenylidene and formaldehyde has been systematically investigated employing the MP2/6-311+$G^*$ level of theory to better understand the cyclopropenylidene reactivity with carbonyl compound. Geometry optimization, vibrational analysis, and energy property for the involved stationary points on the potential energy surface have been calculated. Energies of all the species are further corrected by the CCSD(T)/6-311+$G^*$ single-point calculations. It was found that one important reaction intermediate (INTa) has been located firstly $via$ a transition state (TSa). After that, the common intermediate (INTb) for the two pathways (1) and (2) has been formed $via$ TSb. At last, two different products possessing three- and four-membered ring characters have been obtained through two possible reaction pathways. In the reaction pathway (1), a three-membered ring alkyne compound has been obtained. As for the reaction pathway (2), it is the formation of the four-membered ring conjugated diene compound. The energy barrier of the ratedetermining step of pathway (1) is lower than that of the pathway (2), and the ultima product of pathway (2) is more stable than that of the pathway (1).

Benzoyloxy benzophenone derivatives were prepared in 3 steps including DCC coupling, Fries rearrangement and esterification from benzoic acids in 24-89% total yields. Among the prepared 12 benzophenone analogues 1a-1l, the compound 1b having three chloro groups at the para position showed maximum inhibitory effects of ICAM-1 expression but, 1a which have no substituents at all showed no inhibitory activity. This study provides the evidences that benzoyloxy benzophenone derivative, 1b may exert its anti-inflammatory activity by suppressing IFN-${\gamma}$-induced ICAM-1 expression.

Rhodamine B (RhB) and rhodamine 6G (Rh6G) were employed as catalysts for the synthesis of cyclic carbonate from carbon dioxide and epoxide. It turned out that the catalytic activity of Rh6G was nearly 29 times higher than that of RhB at 1 atm pressure, $90^{\circ}C$. Furthermore, the catalytic efficiency of RhB and Rh6G was greatly enhanced with triethylamine as co-catalyst. Under the optimized conditions, the best isolated yield (93%) of cyclic carbonate was achieved without organic solvent and metal component.

We have developed a novel and eco-friendly synthetic route for the preparation of a two-dimensional layered zinc hydroxide with intercalated nitrate anions. The layered zinc hydroxide nitrate, called 'zinc basic salt', was, in general, successfully synthesized, using an electron beam irradiation technique. The 2-propanol solutions containing hydrated zinc nitrate were directly irradiated with an electron-beam at room temperature, under atmospheric conditions, without stabilizers or base molecules. Under electron beam irradiation, the reactive OH radicals were generated by radiolysis of water molecules in precursor metal salts. After further radiolytic processes, the hydroxyl anions might be formed by the reaction of solvated electrons and the OH radical. Finally, the $Zn_5(OH)_8(NO_3)_2{\cdot}2H_2O$ was precipitated by the reaction of zinc cation and hydroxyl anions. Structure and morphology of obtained compounds were characterized by powder X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and high resolution transmission electron microscopy (HR-TEM). The chemical components of the products were determined by Fourier transform infrared spectroscopy (FT-IR) and elemental analysis (EA). The thermal behavior of products was studied by thermogravimetric (TG) and differential thermal analysis (DTA).

In this work, the reactions of carbamyl and thiocarbamyl halides with $NH_3$ were studied in the gas phase at the MP2(FC)/6-31+G(d) level of theory. Single point calculations were performed at the QCISD/6-311+G(3df,2p) to refine the energetics. The reaction mechanisms were also studied in aqueous solution. The structures were fully optimized at the CPCM-MP2(FC)/6-31+G(d) and refined by a single point CPCM-QCISD/6-311+G(3df,2p) calculations. The reaction mechanisms for the title compounds were compared with those for the acetyl and thioacetyl halides. The lower reactivity of carbamyl (and thiocarbamyl) groups was explained by comparing the C=O and C=S ${\pi}$-bond strengths as well as resonance contributions in the ground state.

Boehmite sols have been prepared by crystallization of amorphous aluminum hydroxide gel obtained by hydrolysis and peptization of aluminum using acetic acid. The size of the boehmite crystallites could be controlled by Al molar concentration in amorphous gel by means of controlling grain growth at nucleation stage. The size of boehmite increases as a function of Al molar concentration. With increasing boehmite crystallite size, the $d_{(020)}$ spacing and the specific surface area decreases, whereas the pore volume increases along with pore size. Especially, the pore size of the boehmite sol particles is comparable to the crystallite size along the b axis, suggesting that the fibril thickness along the b axis among the crystallite dimensions of the boehmite contributes to the pore size. Therefore, the physical properties of boehmite sols can be determined by the crystallite size controlled as a function of initial Al concentration.

A hexavalent chromium (Cr (VI)) is one of the hazardous substances regulated by the RoHS. The determination of Cr (VI) in various polymers and printed circuit board (PCB) has been very important. In this study, the three different analytical methods were investigated for the determination of a hexavalent chromium in Acrylonitrile Butadiene Styrene copolymer (ABS) and PCB. The results by three analytical methods were obtained and compared. An analytical method by UV-Visible spectrometer has been generally used for the determination of Cr (VI) in a sample, but a hexavalent chromium should complex with diphenylcarbazide for the detection in the method. The complexation did make an adverse effect on the quantitative analysis of Cr (VI) in ABS. The analytical method using diphenylcarbazide was also not applicable to printed circuit board (PCB) because PCB contained lots of irons. The irons interfered with the analysis of hexavalent chromium because those also could complex with diphenylcarbazide. In this study, hexavalent chromiums in PCB have been separated by ion chromatography (IC), then directly and selectively detected by inductively coupled plasma atomic emission spectrometry (ICP-AES). The quantity of Cr (VI) in PCB was 0.1 mg/kg.

The polymer of (2,2-dimethyl-1,3-propanediaminebis(salicylideneaminato))-nickel(II), Ni(saldMp), was deposited on multi-walled carbon nanotubes (MWCNTs) substrate by the route of potential linear sweep. The nano structures of poly[Ni(saldMp)] have been obtained by adjusting the monomer concentration of 0.1, 0.2, 0.5, 1.0 and 1.5 mmol $L^{-1}$. The poly[Ni(saldMp)] prepared in acetonitrile solution with monomer concentration of 1.0 mmol $L^{-1}$ shows the fastest growth rate. The effects of potential window on charge-discharge efficiency and electrodeposition scan number on capacitance performance were discussed. Poly[Ni(saldMp)] prepared with less electrodeposition scans exhibits higher capacitance, but this goes against the improvement of the whole electrode capacitance. Sample with 8 deposition scans is the best compromise with the geometric specific capacitance 3.53 times as high as that of pure MWCNTs, and 1.24 times for the gravimetric specific capacitance under the test potential window 0.0-1.0 V.

Oxime ethers of ${\beta}$-oxo-${\gamma}$-phenylbutanoic acids were prepared to develop more effective PPAR ${\alpha}$ and ${\gamma}$ dual agonists. Among them, compound 11k exhibited potent $in$ $vitro$ activities with $EC_{50}$ of 2.5 nM and 3.3 nM in PPAR ${\alpha}$ and ${\gamma}$, respectively. It showed better glucose lowering effects than rosiglitazone 1 and improved the lipid profile like plasma triglyceride in db/db mice model.

Stem cell transplantation is emerging as a possible new treatment for liver cirrhosis, and recent animal studies have documented the benefits of stem cell therapy in a hepatic fibrosis model. However, the underlying mechanism of stem cell therapy is still unclear. Among the proposed mechanisms, the cell replacement mechanism is the oldest and most important, in which permanently damaged tissue can be replaced by normal tissue to restore function. In the present study, Cy5.5-labeled superparamagnetic iron oxide (SPIO) was used to label human mesenchymal stem cells. The uptake of fluorescently labeled nanoparticles enabled the detection and monitoring of the transplanted stem cells; therefore, we confirmed the direct incorporation and differentiation of SPIO into the hepatocyte-like transplanted stem cells by detecting human tyrosine aminotransferase (TAT), well-known enzymatic marker for hepatocyte-specific differentiation.

We present a low temperature (${\approx}70^{\circ}C$) method to prepare anatase, vertically aligned feather-like $TiO_2$ (VAFT) nanowire arrays $via$ reactive pulsed DC magnetron sputtering. The synthesis method is general, offering a promising strategy for preparing crystalline nanowire metal oxide films for applications including gas sensing, photocatalysis, and 3rd generation photovoltaics. As an example application, anatase nanowire films are grown on fluorine doped tin oxide coated glass substrates and used as the photoanode in dye sensitized solar cells (DSSCs). AM1.5G power conversion efficiencies for the solar cells made of 1 ${\mu}m$ thick VAFT have reached 0.42%, which compares favorably to solar cells made of the same thickness P25 $TiO_2$ (0.35%).

Mg-doped ZnO one-dimensional (1D) nanostrutures were synthesized by using a thermal evaporation technique. The morphology, crystal structure, and sensing properties of the Mg-doped ZnO nanostructures functionalized with Pt to CO gas at $100^{\circ}C$ were examined. The diameters of the 1D nanostructures ranged from 80 to 120 nm and that the lengths were up to a few tens of micrometers. The gas sensors fabricated from multiple networked Mg-doped ZnO nanowires functionalized with Pt showed enhanced electrical response to CO gas. The responses of the nanowires were improved by approximately 70, 69, 111, and 81 times at CO concentrations of 10, 25, 50, and 100 ppm, respectively. Both the response and recovery times of the nanowire sensor for CO gas sensing were not nearly changed by Pt functionalization. It also appeared that the Mg doping concentration did not influence the sensing properties of ZnO nanowires as strongly as Pt-functionalization. In addition, the mechanism for the enhancement in the CO gas sensing properties of Mg-doped ZnO nanowires by Pt functionalization is discussed.

We carried out DFT calculations for monohydrated sulfuric and phosphoric acids. We are interested in clusters which differ in orientation of hydrogen atoms only. Such molecular complexes are close in energy, since they lie in the vicinity of the global minimum energy structure on the flat potential energy surface. For monohydrated sulfuric acid we identified four different isomers. The monohydrated phosphoric acid forms five different conformers. These systems are difficult to study from the theoretical point of view, since binding energy differences in several cases are very small. For each structure, we calculated harmonic vibrational frequencies to be sure that if the optimized structures are at the local or global minima on the potential energy surface. The analysis of calculated -OH vibrational frequencies is useful in interpretation of infrared photodissociation spectroscopy experiments. We employed four different DFT functionals in our calculations. For each structure, we calculated binding energies, thermodynamic properties, and harmonic vibrational frequencies. Our analysis clearly shows that DFT approach is suitable for studying monohydrated inorganic acids with different hydrogen atom orientations. We carried out MP2 calculations with aug-cc-pVDZ basis set for both monohydrated acids. MP2 results serve as a benchmark for DFT calculations.

Nopp140 is a highly phosphorylated protein that resides in the nucleolus of mammalian cell and is involved in the biogenesis of the nucleolus. It interacts with a variety of proteins related to the synthesis and assembly of the ribosome. It also can bind to a ubiquitous protein kinase CK2 that mediates cell growth and prevents apoptosis. We found that Nopp140 is an intrinsically unfolded protein (IUP) lacking stable secondary structures over its entire sequence of 709 residues. We discovered that mitoxantrone, an anticancer agent, was able to enhance the interaction between Nopp140 and CK2 and maintain suppressed activity of CK2. Surface plasma resonance studies on different domains of Nopp140 show that the C-terminal region of Nopp140 is responsible for binding with mitoxantrone. Our results present an interesting example where a small chemical compound binds to an intrinsically unfolded protein (IUP) and enhances protein-protein interactions.

A convenient synthetic route has been developed to synthesize 5-(4-((2-phenylthiazol-4-yl) methoxy)phenyl)-3-(4-sustituted phenyl)pyrazolines (5a-f) and 5-(4-((2-phenylthiazol-4-yl)methoxy)phenyl)-3-(4-substituted phenyl)isoxazolines (6a-f) starting from 2-phenyl-4-chloromethylthiazole (1). The chloromethylthiazole (1) was first condensed with 4-hydroxy benzaldehyde (2) for obtaining 4-((2-phenylthiazol-4-yl)methoxy)benzaldehyde (3). Claisen-Smidth condensation of 4-((2-phenylthiazol-4-yl)methoxy)benzaldehyde (3) and acetophenones has been carried in alkaline alcohol and obtained 3-(4-((2-phenylthiazol-4-yl)methoxy)phenyl)-1-(4-substituted phenyl)prop-2-en-1-ones (4a-f). The cyclocondensation of 2-propen-1-ones has been first time carried separately with hydrazine hydrate and hydroxylamine hydrochloride in aqueous micellar tetradecyltrimethylammonium bromide (TTAB) medium for getting the titled heterocycles with good to excellent yields.

Three isostructural lanthanide coordination polymers, $[Ln(L)_3(H_2O)_2](H_2O)_3$ {Ln = Eu (1), Tb (2), Gd (3); L = $trans$-3-(3-pyridyl)acrylate, (3-py)-CH=CH-COO}, were prepared from HL, lanthanide nitrate, and NaOH in $H_2O$ by microwave heating. In all coordination polymers, the metal is bonded to eight oxygen atoms, and all pyridyl nitrogen atoms do not coordinate to the metals. All polymers have a 1-D loop-connected chain structure. The hydrogen atoms in the aqua ligands and lattice water molecules all participate in the hydrogen bonds of the O-$H{\cdots}O$ or O-$H{\cdots}N$ type. The hydrogen bonds connect the 1-D chains to create a 2-D network. Polymer 1 exhibited red luminescence in the solid state at room temperature.

An efficient and practical synthesis of MBH adducts of aryl vinyl ketones was developed using DABCO and 4-nitrophenol as a proton donor. Addition of a proton donor and the use of excess amounts (3.0 equiv) of aldehydes were highly beneficial for the yields of MBH adducts of aryl vinyl ketones.

The single-crystal structure of $CaCl_2{\cdot}2C_6H_{12}O_6{\cdot}3H_2O$ was determined with Mr=525.34, a=16.054(7) ${\AA}$, b=7.864(4) ${\AA}$, c=10.909(5) ${\AA}$, ${\beta}=127.894(8)^{\circ}$, V=1086.9(9) ${\AA}^3$, C2, Z=2 and $R$=0.0227 for 1727 observed reflections. The fructose moiety of the complex exists as a ${\beta}$-D-pyranose. The calcium ion is surrounded by eight oxygen atoms, These are arranged in symmetry-related pairs derived from four sugar and two water molecules. Three nonvicinal hydroxyl groups of fructose are involved in calcium binding. All the hydroxyl groups and water molecules are involved in forming an extensive hydrogen-bond network.

Melt copolymerization reactions of several bis(diethylamino)silane derivatives, bis(diethylamino)methylphenylsilane, bis(diethylamino)methyloctylsilane, 1,2-bis(diethylamino)tetramethyldisilane, and 1,3-bis(diethylamino) tetramethyldisiloxane, with 2,7-dihydroxyfluoren-9-one were carried out to yield poly[oxy(2,7-fluoren- 9-onenylene)oxy(diorganosilylene)]s bearing the fluoren-9-one fluorescent aromatic group in the polymer main chain: poly[oxy(2,7-fluoren-9-onenylene)oxy(methylphenylsilylene)], poly[oxy(2,7-fluoren-9-onenylene) oxy(methyloctylsilylene)], poly[oxy(2,7-fluoren-9-onenylene)oxy(tetramethyldisilylene)], and poly[oxy- (2,7-fluoren-9-onenylene)oxy(tetramethyldisiloxanylene)]. These polymeric materials are soluble in common organic solvents such as $CHCl_3$ and THF. FTIR spectra of all the materials reveal characteristic Si-O-C stretching frequencies at 1012-1018 $cm^{-1}$. In the THF solution, the prepared materials show strong maximum absorption peaks at 258-270 nm, strong maximum excitation peaks at 260-280 nm, and strong maximum fluorescence emission bands at 310-420 nm. TGA thermograms suggest that most of the polymers are essentially stable to $200^{\circ}C$ without any weight loss and up to $300^{\circ}C$ with only a weight loss of less than 5% in nitrogen.