Actinobacillus actinomycetemcomitans is a gram-negative, nonmotile coccobacillus bacterium that is associated with several human diseases, including endocarditis, meningitis, osteomyelitis, subcutaneous abscesses and periodontal diseases. A full-length Omp1-like protein gene from A. actinomycetemcomitans was cloned into a pQE30 vector and overexpressed in Escherichia coli BL21(DE3) cells. The protein revealed sequence homologies to Seventeen kilodalton proteins (Skp) from Pasteurella multocida and E. coli that have been characterized as periplasmic chaperones. This soluble Omp1-like protein was successfully purified to homogeneity for further folding and functional studies. The purity, identity, and conformation of the protein were determined using sodium dodecyl sulfate polyacrylamide gel electrophoresis, matrix-assisted laser desorption ionization mass spectrometry, circular dichroism, fluorescence spectroscopic, and differential scanning calorimetric studies. We showed that the protein formed an oligomer larger than a tetramer. We found, further, that it is comprised of mostly $\alpha$-helices and boasts high thermal stability.

Hemodialysis vascular access dysfunction (HVAD) due to the aggressive development of venous neointimal hyperplasia remains a major complication for patients with synthetic arteriovenous grafts. Paclitaxel-coated expanded polytetrafluoroethylene (ePTFE) grafts effectively prevent neointimal hyperplasia and stenosis. However, perigraft inflammation or edema can be another complication of ePTFE grafts, preventing early cannulation. Three different types of ePTFE grafts, including grafts without paclitaxel coating (control group, n = 12), grafts with paclitaxel coating at a dose density of $0.61ug/mm^2$ (low concentration group, n = 12), and grafts with paclitaxel coating at a dose density of $1.15ug/mm^2$ (high concentration group, n = 12) were placed in the backs of 12 rabbits, simultaneously. Six rabbits were euthanized after one week and the remaining six were euthanized two weeks after implantation. Perigraft inflammation, graft wall inflammation, stromal cell proliferation, blood vessel formation, tissue necrosis and edema were analyzed for the grafts in each animal. Inflammation surrounding the paclitaxel-coated grafts was significantly reduced compared to the control group. Stromal cell layers were detected at the interface between the graft and the surrounding tissue in the control group, infiltrated into the graft interstices, and differentiated into myofibroblasts for graft healing. Paclitaxel-coated grafts inhibited stromal cell proliferation and infiltration into the graft wall. Tissue necrosis and edema were not detected in either of the paclitaxel-coated graft groups.

The reaction of carboxylic acid derivatives such as esters, acid chlorides and acid anhydrides with alkynyl lithiums in the presence of lithium morpholinide and $BF_3{\cdot}OEt_2$ gave alkynyl ketones in good yield (73-96%).

This article introduces a facile nanoparticle self-assembly/annealing method for the preparation of nanoisland films. First, nanoparticle-polymer multilayer films are prepared with layer-by-layer assembly. Nanoparticle multilayer films are then annealed at $~500^{\circ}C$ in air to evaporate organic matters from the films. During the annealing process, the nanoparticles on the solid surface undergo nucleation and coalescence, resulting in the formation of nanostructured gold island arrays. By controlling the overall thickness (number of layers) of nanoparticle multilayer films, nanoisland films with various island density and different average sizes are obtained. The surface property of gold nanoisland films is further controlled by the self-assembly of alkanethiols, which results in an increased surface hydrophobicity of the films. The structure and characteristics of these nanoisland film arrays are found to be quite comparable to those of nanoisland films prepared by vacuum evaporation method. However, this self-assembly/annealing protocol is simple and requires only common laboratory supplies and equipment for the entire preparation process.

We report the effect of surface morphology on the conductivity of the poly-N-vinylcarbazole (PVK)/silica gel ($SiO_2$) nanocomposites as a function of $SiO_2$ weight percentage (%).The polymerization of PVK was initiated by a free-radical polymerization. The surface morphology of the prepared composite shows the incorporation of $SiO_2$ in the prepared PVK-$SiO_2$ (PS) nanocomposites. The conductivity increased from $9.2{\times}10^{-5}S\;cm^{-1}$ to $9.6{\times}10^{-4}S\;cm^{-1}$ with the increase in the percentage of silica gel from 5 to 30%. The nanocomposites show a percolation behavior having a threshold value between 15 and 20%.

Pseudo-first-order rate constants ($k_{obsd}$) have been measured spectrophotometrically for nucleophilic substitution reactions of 4-nitrophenyl benzoate (5a), 4-nitrophenyl 4-methoxybenzoate (5b), and 4-nitrophenyl 4-hydroxybenzoate (5c) with alkali metal ethoxides, $EtO^-M^+$ ($M^+=Li^+$, $Na^+$ and $K^+$) in anhydrous ethanol (EtOH) at $25.0{\pm}0.1^{\circ}C$. The plots of $k_{obsd}$ vs. [$EtO^-M^+$] exhibit upward curvatures in all cases, indicating that $M^+$ ions catalyze the reactions and ionpaired $EtO^-M^+$ species are more reactive than dissociated $EtO^-$. Second-order rate constants for reactions with dissociated $EtO^-$ and ion-paired $EtO^-M^+$ (i.e., $k_{EtO^-}$ and $k_{EtO^-M^+}$, respectively) have been calculated from ion-pair treatment for the reactions of 5a and 5b. However, such ion-pair treatment has failed to determine $k_{EtO^-}$ and $k_{EtO^-M^+}$ values for the reactions of 5c. It has been concluded that reactions of 5a and 5b are catalyzed by one metal ion, which increases electrophilicity of the reaction center through coordination on the carbonyl oxygen. In contrast, reactions of 5c have been suggested to involve two metal ions, i.e., the one coordinated on the carbonyl oxygen increases the electrophilicity of the reaction center while the other one associated on the phenoxy oxygen decreases the charge repulsion between the anionic reagents (i.e., $EtO^-$ and deprotonated 5c). It has been found that the rate equation derived from the mechanism involving two metal ions fits nicely to the kinetic results obtained for the reactions of 5c.

The surface modified $LiMn_2O_4$ materials with Li-Fe composites were prepared by a sol-gel method to improve the electrochemical performance of $LiMn_2O_4$ and were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS), and transmission electron microscopy (TEM)-EDS. XRD results indicate that all the samples (modified and pristine samples) have cubic spinel structures, and XRD, XPS, and TEM-EDS data reveal the formation of $Li(Li_xFe_xMn_{2-2x})O_4$ solid solution on the surface of particles. For the electrochemical properties, the modified material demonstrated dramatically enhanced reversibility and stability even at elevated temperature. These improvements are attributed to the formation of the solid solution, and thus-formed solid solution phase on the surface of $LiMn_2O_4$ particle reduces the dissolution of Mn ion and suppresses the Jahn-Teller effect.

This study examined the overlapping resonances in the systems involving 1 open and 2 closed channels using the phase-shifted version of multichannel quantum-defect theory (MQDT). The results showed that 21 patterns for the q reversals in the autoionization spectra are possible depending on the relative arrangements of the two simple poles and roots of the quadratic equations. Complete cases could be generated easily using the q zero planes determined using only 3 asymmetric spectral line profile indices. The transition of the spectra of the coarse interloper Rydberg series from the lines into a structured continuum by being dispersed onto the entire Rydberg series was found. The overall behavior of the time delays was found to be governed by the dense Rydberg series, which is quite different from the one of the autoionization cross sections that is governed by an interloper, indicating that different dynamics prevail for them. This is in contrast to the two channel system where both quantities behave similarly. The dynamics obtained in the presence of overlapping resonances is as follows. The absorption process is instant and dominated by a transition to the interloper line. This process is followed by rapid leakage into the dense Rydberg series, which has a longer residence time before ionization than that of the interloper state. This is because the orbiting period is proportional to $\upsilon^3$ so that an excited electron has a shorter lifetime in the interloper state belonging to a lower member of the Rydberg series.

$LiCoO_2$, a cathode material for lithium rechargeable batteries, was prepared in a nanoscale through a simple sonochemistry. First, $Co_3O_4$ nanoparticles were prepared by reacting NaOH and $CoCl_2$ or $CoSO_4$ with a sonochemical method, operated at 20 kHz and 220 W for 20 min, very powerful multibubble sonoluminescence conditions for chemical reactions. Second, LiOH was coated onto the $Co_3O_4$ nanoparticles by the same method as above. Finally, $LiCoO_2$ nanoparticles of about 10~30 nm size in diameter were obtained by the thermal treatment of the resulting LiOH-coated $Co_3O_4$ nanoparticles at $500^{\circ}C$ for 3 hr. This synthetic process is relatively quite mild and simple compared to the known method for the synthesis of $LiCoO_2$ nanoparticles. The materials synthesized were characterized by infrared spectroscopy, X-ray diffraction, inductively coupled plasma spectrometer, and high resolution-transmission electron microscopy analyses.

In the present study, carbon supports mixed with purified multi-walled carbon nanotubes (MWNTs) and carbon blacks (CBs) were used to improve the cell performance of direct methanol fuel cells (DMFCs). Additionally, the effect of $O_2$ plasma treatment on CBs/MWNTs supports was investigated for different plasma RF powers of 100, 200, and 300 W. The surface and structural properties of the CBs/MWNTs supports were characterized by FT-IR, X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and inductive coupled plasma-mass spectrometer (ICP-MS). The electrocatalytic activity of PtRu/CBs/MWNTs catalysts was investigated by cyclic voltammetry measurement. In the experimental results, the oxygen functional groups of the supports were increased with increasing plasma RF power, while the average Pt particle size was decreased owing to the improvement of dispersibility of the catalysts. The electrochemical activity of the catalysts for methanol oxidation was gradually improved by the larger available active surface area, itself due to the introduction of oxygen functional groups. Consequently, it was found that $O_2$ plasma treatments could influence the surface properties of the carbon supports, resulting in enhanced electrocatalytic activity of the catalysts for DMFCs.

In this study, the atmospheric plasma treatment with $He/O_2$ was conducted to modify the surface chemistry of carbon fibers. The effects of plasma treatment parameters on the surface energetics of carbon fibers were experimentally investigated with respect to gas flow ratio, power intensity, and treatment time. Surface characteristics of the carbon fibers were determined by X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), Fourier transform infrared (FT-IR), Zeta-potential, and contact angle measurements. The results indicated that oxygen plasma treatment led to a large amount of reactive functional groups onto the fiber surface, and these groups can form together as physical intermolecular bonding to improve the surface wettability with a hydrophilic polymer matrix.

A series of $Ce_1Mg_xZr_{1-x}O_2$ (CMZO) mixed metal oxide with different molar ratio were prepared by simple co-precipitation method. The prepared materials were tested for their catalytic activity performance using Knoevenagel condensation of various aromatic aldehydes with barbituric acid under solvent-free condition in microwave. The best catalytic activity was obtained with CMZO (1:0.6:0.4). The synthesized materials were characterized by using XRD, FT-IR, SEM-EDS techniques.

The improved photocatalytic performance of a carbon/$TiO_2$ composite was studied for the Bisphenol A (BPA) decomposition. Titanium tetraisopropoxide (TTIP) and a rice husk from Korea were heterogeneously mixed as the titanium and carbon sources, respectively, for 3 h at room temperature, and then thermally treated at $600^{\circ}C$ for 1 h in $H_2$ gas. The transmission electron microscopy (TEM) images revealed that the bulk carbon partially covered the $TiO_2$ particles, and the amount that was covered increased with the addition of the rice husk. The acquired carbon/$TiO_2$ composite exhibited an anatase structure and a novel peak at $2{\theta}=32^{\circ}$, which was assigned to bulk carbon. The specific surface area was significantly enhanced to 123~164 $m^2/g$ in the carbon/$TiO_2$ composite, compared to $32.43m^2/g$ for the pure $TiO_2$. The X-ray photoelectron spectroscopy (XPS) results showed that the Ti-O bond was weaker in the carbon/$TiO_2$ composite than in the pure $TiO_2$, resulting in an easier electron transition from the Ti valence band to the conduction band. The carbon/$TiO_2$ composite absorbed over the whole UV-visible range, whereas the absorption band in the pure$TiO_2$ was only observed in the UV range. These results agreed well with an electrostatic force microscopy (EFM) study that showed that the electrons were rapidly transferred to the surface of the carbon/$TiO_2$ composite compared to the pure $TiO_2$. The photocatalytic performance of the BPA removal was optimized at a Ti:C ratio of 9.5:0.5, and this photocatalytic composite completely decomposed 10.0 ppm BPA after 210 min, whereas the pure $TiO_2$ achieved no more than 50% decomposition under any conditions.

Nickel nanoparticles (Ni NPs) appeared to exhibit the catalytic activity in one-pot cyclocondensation reaction for the preparation of 3,4-dihydropyrimidine-2(1H)-ones via Biginelli reaction from aromatic/heteroaromatic/aliphatic aldehydes, urea/thiourea and ethyl acetoacetate under microwave irradiation has been described. The UV absorbance spectra showed metallic Ni characteristics and appreciate with the particle size determined by Transmission electron microscopy (TEM). After reaction course the Ni NPs can be re-covered and reused without any apparent loss of activity.

A $Li[Co_{1/3}Ni_{1/3}Mn_{1/3}]O_2$ cathode was modified by applying a $ZrF_x$ coating. The surface-modified cathodes were characterized by XRD, SEM, EDS, TEM techniques. XRD patterns of $ZrF_x$-coated $Li[Co_{1/3}Ni_{1/3}Mn_{1/3}]O_2$ revealed that the coating did not affect the crystal structure of the parent powder. SEM and TEM images showed that $ZrF_x$ nano-particles were formed as a coating layer, and EDS data confirmed that $ZrF_x$ distributed uniformly on the surface the powder. Capacity retention of coated samples at high C rates was superior to that of pristine sample. However, as the coating concentration increases beyond the optimum concentration, the rate capability was deteriorated. Whereas, as the increase of coating concentration to 2.0 wt %, the cyclic performances of the electrodes under the severe conditions (high cut-off voltage, 4.8 V, and high measurement temperature, $55^{\circ}C$) were improved considerably.

$Li_4Ti_5O_{12}$ thin film with inverse hemispheric structure was fabricated on a Pt/Ti/$SiO_2$/Si substrate by the sol-gel and dip coating method for use as an anode for 3-dimensional (3D) thin-film batteries. Polystyrene (PS) beads of 400 nm diameter were used to prepare the template for the inverse hemispheric structure. A coating solution prepared using precursor sources was dropped on the template-deposited substrates, which were then calcinated at $400^{\circ}C$. The template was removed by calcination, and the inverse hemispheric structure was successfully formed by an annealing process. The cyclic performance during high-rate charge/discharge processes of the $Li_4Ti_5O_{12}$ film with inverse hemispheric structure was superior to that of the flat $Li_4Ti_5O_{12}$ film.

The multiconfiguration molecular mechanics (MCMM) algorithm was used to generate potential and vibrationally adiabatic energy surfaces for excited-state tautomerization in the 1:1 7-azaindole:$H_2O$ complex. Electronic structures and energies for reactant, product, transition state were computed at the CIS/6-31G(d,p) level of theory. The potential and vibrationally adiabatic energies along the reaction coordinate were generated step by step by using 16 high-level Shepard points, which were computed at the CIS/6-31G(d,p) level. This study shows that the MCMM method was applied successfully to make quite reasonable potential and adiabatic energy curves for the excited-state double proton transfer reaction. No stable intermediates are present in the potential energy curve along the reaction coordinate of the excited-state double proton transfer in the 1:1 7-azaindole:$H_2O$ complex, indicating that these two protons are transferred concertedly. The change in the bond distances along the reaction coordinate shows that two protons move very asynchronously to make an $H_3O^+$-like moiety at the transition state.

Membrane disruption by an antimicrobial peptide, protegrin-1 (PG-1), was investigated by measuring the $^2H$ solid-state nuclear magnetic resonance (SSNMR) spectra of 1-palmitoyl-$d_{31}$-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC_$d_{31}$) in the mixture of PG-1 and POPC_$d_{31}$ lipids deposited on thin cover-glass plates. The experimental line shapes of anisotropic $^2H$ SSNMR spectra measured at various peptide-to-lipid (P/L) ratios were simulated reasonably by assuming the mosaic spread of bilayers containing pore structures or the coexistence of the mosaic spread of bilayers and a fast-tumbling isotropic phase. Within a few days of incubation in the hydration chamber, the pores were formed by the peptide in the POPC_$d_{31}$ and POPC_$d_{31}$/cholesterol membranes. However, the formation of the pores was not clear in the POPC_$d_{31}$/1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylglycerol (POPG) membrane. Over a hundred days after hydration, a rapidly rotating isotropic phase increased in the POPC_$d_{31}$ and the POPC_$d_{31}$/cholesterol membranes with the higher P/L ratios, but no isotropic phase appeared in the POPC_$d_{31}$/POPG membrane. Cholesterol added in the POPC bilayer acted as a stabilizer of the pore structure and suppressed the formation of a fast-tumbling isotropic phase.

Metabolites of colorectal cancer tissues from 12 patients were analyzed and compared with those of the normal tissues by two-dimensional NMR spectroscopy. NMR data were analyzed with the help of the metabolome database and the statistics software. Cancerous tissues showed significantly altered metabolic profiles as compared to the normal tissues. Among such metabolites, the concentrations of taurine, glutamate, choline were notably increased in the cancerous tissues of most patients, and those of glucose, malate, and glycerol were decreased. Changes in individual metabolites varied significantly from patient to patient, but the combination of such changes could be used to distinguish cancerous tissues from normal ones, which could be done by PCA analysis. The traditional chemometric analysis was also performed using AMIX software. By comparing those two results, the analysis via $^1H-^{13}C$ HSQC spectra proved to be more robust and effective in assessing and classifying global metabolic profiles of the colorectal tissues.

Human microsomal prostaglandin E synthase-1 (mPGES-1) catalyzes the conversion of prostaglandin $H_2$ ($PGH_2$) into prostaglandin $E_2$ ($PGE_2$). To establish a stable and efficient method to assess the activity of mPGES-1, a coupled enzyme assay system using mPGES-1, 15-hydroxyprostaglandin dehydrogenase (15-PGDH) and phosphomolybdic acid (PMA) was developed. In this assay system, $PGH_2$ was converted to $PGE_2$ by mPGES-1, and then $PGE_2$ was further transformed to the 15-keto-$PGE_2$ by 15-PGDH accompanying the production of NADH, which was easily detected by fluorescence spectrometry in a multi-well plate format. During the reaction, spontaneous oxidation of $PGH_2$ was prevented by PMA. Using this novel assay, the $K_m$ value of mPGES-1 for $PGH_2$ and the $IC_{50}$ value of the previously characterized inhibitor, MK-886, were determined to be 0.150 mM and $2.8\;{\mu}M$, respectively, which were consistent with the previously reported values. In addition, low backgrounds were observed in the multi-wall plate screening of chemical compounds.

In this paper, we reported the synthesis and electroluminescent properties of blue fluorescent styrylamine derivatives end-capped with a diphenylvinyl group. A new series of styrylamine derivatives have been synthesized via the Horner-Wadsworth-Emmons reaction. To explore electroluminescent properties of these molecules, multilayer organic lighte-mitting devices with the configuration of ITO/NPB/1-5 doped in MADN/Bphen/Liq/Al were fabricated. All devices exhibited blue emissions with good EL performances. Among those reported herein, the device using dopant 5 exhibited a maximum luminance of $24,000\;cd/m^2$ at 11.0 V, a luminous efficiency of 12.5 cd/A at $20\;mA/cm^2$, a power efficiency of 6.50 lm/W at $20\;mA/cm^2$, and $CIE_{x,y}$ coordinates of (x = 0.173, y = 0.306) at 8.0 V, all of which demonstrate the superiority of these materials in blue OLEDs.

Zirconium oxide thin films deposited on the p-type Si(100) substrates by radio-frequency (RF) reactive magnetron sputtering with different plasma gas ratios have been studied by using spectroscopic ellipsometry (SE), atomic force microscopy (AFM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). The deposition of the films was monitored by the oxygen gas ratio which has been increased from 0 to 80%. We found that the thickness and roughness of the zirconium oxide thin films are relatively constant. The XRD revealed that the deposited thin films have polycrystalline phases, Zr(101) and monoclinic $ZrO_2$ ($\bar{1}31$). The XPS result showed that the oxidation states of zirconium suboxides were changed to zirconia form with increasing $O_2$ gas ratio.

The Schiff base 1,2-bis(E-2-hydroxy benzylidene amino)anthracene-9,10-dione has been synthesized and explored as ionophore for preparing PVC-based membrane sensors selective to the copper ($Cu^{2+}$) ion. Potentiometric investigations indicate high affinity of these receptors for copper ion. The best performance was shown by the membrane of composition (w/w) of ionophore: 1 mg, PVC: 33 mg, DOP: 66 mg and KTpClPB as additive were added 50 mol % relative to the ionophore in 1 ml THF. The proposed sensor's detection limit is $2.8{\times}10^{-7}$ M over pH 5 at room temperature (Nernstian slope 31.76 mV/dec.) with a response time of 15 seconds and showed good selectivity to copper ion over a number of interfering cations.

A novel polyacrylamide grafted hydrous ferric oxide adsorbent composite has been synthesized by using glow discharge electrolysis plasma. To optimize the synthesis conditions, the following parameters were examined in detail: applied power, discharge time, post polymerization temperature, post polymerization time, amount of crosslinking agent and hydrous ferric oxide gel added and so on. The adsorbent was characterized by Fourier transform infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS). The removal percentage of the adsorbent in Pb(II) solution was examined and the data obtained showed that the adsorbent composite has a high capacity for lead ion. For the use in wastewater treatment, the thermodynamic and kinetic of Pb(II)-capture were also studied. Results indicated that the adsorption reaction was a spontaneous and an endothermic process, and it seems to be obeyed a pseudo-secondorder rate model. Moreover, the adsorption isotherm of Pb(II)-capture is following the Langmuir and Freundlich isotherm models.

Highly ordered mesoporous silver material was successfully synthesized from a mesoporous silica template (KIT-6) with 3-D channel structure using the nano-replication method. The effects of $H_2$ or $O_2$ pretreatments on the catalytic performance of the mesoporous silver were investigated using a temperature programmed CO oxidation technique in a fixed bed reactor. The mesoporous silver material that was pretreated with $H_2$ exhibited an excellent catalytic activity compared to the as-prepared and $O_2$-pretreated catalysts. Moreover, this present mesoporous silver material showed good catalytic stability. For the CO oxidation, the apparent activation energy of the $H_2$-pretreated mesoporous silver catalyst was $61{\pm}0.5\;kJ\;mol^{-1}$, which was also much lower than the as-prepared ($132{\pm}1.5\;kJ\;mol^{-1}$) and $O_2$-pretreated ($124{\pm}1.4\;kJ\;mol^{-1}$) catalysts.

This paper reports a simple and versatile technique for generating highly controllable sinusoidal nanostructures on the surface of poly-(dimethylsiloxane) (PDMS). The sinusoidal features were generated by oxidizing PDMS slabs with oxygen plasma, then stretching them by wrapping around a cylinderical surface, and finally allowing them to relax. The wavelength and amplitude could be finely controlled by varying the fabrication conditions such as duration of oxidation, diameter of the glass cylinder, duration of stretching, thickness of the PDMS slabs, and temperature during the second hardening process. The varied trends of the buckling patterns were characterized by using an atomic force microscope.

To reduce polarization of electrochemical capacitor based on carbon nanotube, titanium oxide nanoparticles were deposited by ultrasound. The pore distribution of $TiO_2$/CNT nanoparticle exhibited surface area of $341\;m^2g^{-1}$ when $TiO_2$ content was 4 wt %, which was better than that of pristine CNT with surface area of $188\;m^2g^{-1}$. The analyses indicated that titanium oxide (particle diameter < 20 nm) was deposited on the CNT surface. The electrochemical performance was evaluated by using cyclic voltammetry (CV), impedance measurement, and constant-current charge/discharge cycling techniques. The $TiO_2$/CNT composite electrode showed relatively better electrochemical behaviors than CNT electrode by increasing the specific capacitance from $22\;Fg^{-1}$ to $37\;Fg^{-1}$ in 1 M $H_2SO_4$ solution. A symmetric cell assembled with the composite electrodes showed the specific capacitance value of $11\;Fg^{-1}$ at a current loading of $0.5\;mAcm^{-2}$ during initial cycling.

A novel T-type polyester 7 containing 1-(2,5-dioxyphenyl)-2-{5-(1,2,2-tricyanovinyl)-2-thienyl}ethenes as nonlinear optical (NLO) chromophores, which are part of the polymer backbone, was prepared and characterized. Polyester 7 is soluble in common organic solvents such as dimethylsulfoxide and N,N-dimethylformamide. It showed a thermal stability up to $300^{\circ}C$ in thermogravimetric analysis thermogram and the glass-transition temperature ($T_g$) obtained from differential scanning calorimetry thermogram was around $113^{\circ}C$. The second harmonic generation (SHG) coefficient ($d_{33}$) of poled polymer films at 1,560 nm fundamental wavelength was around 1.85 pm/V. The dipole alignment exhibits a greater thermal stability even at $10^{\circ}C$ higher than $T_g$, and there is no SHG decay below $125^{\circ}C$ due to the partial mainchain character of the polymer structure, which is acceptable for nonlinear optical device applications.

We report the preparation and characterization of a new and water soluble complex of palladium(II) with 1,10- phenanthroline and butyldithiocarbamate ligands. This compound has been studied through spectroscopic techniques, $^1H$ NMR, IR, electronic spectra and elemental analysis and conductivity measurements. The complex shows 50% cytotoxic concentration ($Ic_{50}$) value against chronic myelogenous leukemia cell line, K562, much lower than that of cisplatin. Thus the mode of binding of this complex to calf thymus DNA have been extensively investigated by isothermal titration UV-visible spectrophotometry, fluorescence, gel filteration and other methods. UV-visible studies show that the complex exhibits cooperative binding with DNA and remarkably denatures the DNA at extremely low concentration ($~13\;{\mu}M$). Fluorescence studies indicate that the complex intercalate into DNA. Gel filtration studies suggest that the binding of Pd(II) complex with DNA is strong enough that it does not readily break. In these interaction studies, several thermodynamic and binding parameters are also determined which may reflect the mechanism of action of this type of compound with DNA.

Adenosine 3',5'-cyclic monophosphate (cAMP) is a second messenger responsible for a multitude of cellular responses. In this study, we utilized $\beta$-cyclodextrin ($\beta$-CD) as an artificial receptor with a hydrophobic cavity to elucidate the inclusion kinetics of cAMP in a hydrophobic environment using the ultrasonic relaxation method. The results revealed that the interaction of cAMP with $\beta$-CD followed a single relaxation curve as a result of host-guest interactions. The inclusion of cAMP into the $\beta$-CD cavity was found to be a diffusion-controlled reaction. The dissociation of cAMP from the $\beta$-CD cavity was slower than that of adenosine 5'-monophosphate (AMP). The syn and anti glycosyl conformations of adenine nucleotides are considered to play an important role in formation of the inclusion complex. Taken together, our findings indicate that hydrophobic interactions are involved in the inclusion complex formation of cAMP with $\beta$-CD and provide insight into the interactions of cAMP with cAMP-binding proteins.

A series of 5-alkoxy-tetrazolo[1,5-a]quinolines were synthesized to evaluate their anticonvulsant and antidepressant effects. Anticonvulsant effects and neurotoxicity of the compounds when injected intraperitoneally to mice were determined by a maximal electroshock (MES) test and a rotarod test, respectively. Only three of the synthesized compounds (4a, 4b, 4c) displayed anticonvulsant activity at a dose of 300 mg/kg. Most of the compounds significantly reduced immobility times during the forced swimming test (FST) at a dose of 100 mg/kg, indicative of antidepressant activity. Among the compounds, 5-(2-fluorobenzyloxy)tetrazolo[1,5-a]quinoline (4k) reduced immobility time by 66.85% at 30 mg/kg compared with the same dose of Fluoxetine, which reduced immobility time by 52.30%. According to the results of the 5-Hydroxytryptophan induced head-twitch test and yohimbine toxicity potentiation test, the noradrenergic system seems not to be involved in the antidepressant-like effect of compound 4k while the serotonergic system seems a little to be involved.

The structural and energetic preferences of thiacalix[4]biscrown-5 with and without alkali metal ions ($Na^+$, $K^+$, $Rb^+$, and $Cs^+$) have been theoretically investigated for the first time using molecular dynamic (MD) simulations and density functional theory (MPWB1K/6-31G(d)//B3LYP/6-31G(d)) methods. The formation of the metal ion complex by the host is mainly driven by the electrostatic attraction between crown-5 oxygens and a cation together with the minor contribution of the cation-$\pi$ interaction between two facing phenyl rings around the cation. The computed binding energies and the atomic charge distribution analysis for the metal binding complexes indicate the selectivity toward a potassium ion. The theoretical results herein explain the experimentally observed extractability order by this host towards various alkali metal ions. The physical nature and the driving forces for cation recognition by this host are discussed in detail.

The geometrical structures and energetics of positively doubly charged fullerene dimer $(C_{60})_2{^{2+}}$ conformers were studied using semiempirical PM3 and MNDO, Hartree-Fock (HF), and Hybrid B3LYP density functional methods. The shape of the HOMO-LUMO for the three conformers was also analyzed. The gauche conformer was the most stable of the three conformers. The anti conformer was more stable than the syn conformer.