This research was aimed to fabricate an optical fiber-based SERS substrate which can detect dopamine neurotransmitters. Chitosan nanoparticles (NPs) were firstly anchored on the surface of optical fiber, and then gold layer was subsequently deposited on the anchored chitosan NPs via electroless plating method. Finally, chitosan-gold nanocomposites combined with optical fiber reacted with dopamine molecules of 100-1500 mg/day which is a standard daily dose for Parkinson's disease patients. The amplified Raman signal at $1348cm^{-1}$ obtained from optical fiber-based SERS substrate was plotted versus dopamine concentrations (1-10 mM), demonstrating an approximate linearity of Y = 303.03X + 2385.8 ($R^2$ = 0.97) with narrow margin errors. The optical fiber-based Raman system can be potentially applicable to in-vitro (or in-vivo) detection of probe molecules.

We report a novel approach for fabricating active surface-enhanced Raman scattering (SERS) substrate for sensitive detection. This approach is based on the assembling of gold nanoparticles (AuNPs) onto the electrospun polycaprolactone (PCL) nanofiber film. The hydrophobic surface of PCL nanofiber film was pretreated using UV-inducing graft polymerization with acrylic acid. Afterwards this PCL nanofiber film was incubated with the AuNP solution to promote the assembly of AuNPs onto the PCL nanofibers and the formation of SERS active substrate. 4-aminothiophenol (4-ATP) molecule was used as a test probe for SERS experiments, indicating that the substrate has high sensitivity to SERS response. Our method has great advantage in term of environment-friendly synthesis, large-scale, high stability and good reproducibility. This highly active SERS substrate can be employed to detect the drug molecule, 2-thiouracil.

Herein, we report on the preparation of red fluorescent Si nanoparticles stabilized with styrene. Nano-sized Si particles emit fluorescence under UV excitation, which could be used to open up new applications in the fields of optics and semi-conductor research. Unfortunately, conventional methods for the preparation of red fluorescent Si nanoparticles suffer from the lack of a fully-established standard synthesis protocol. A common initial approach during the preparation of semi-conductors is the etching of crystalline Si wafers in a HF/ethanol/$H_2O$ bath, which provides a uniformly-etched surface of nanopores amenable for further nano-sized modifications via tuning of various parameters. Subsequent sonication of the etched surface crumbles the pores on the wafer, resulting in the dispersion of particles into the solution. In this study, we use styrene to occupy these platforms to stabilize the surface. We determine that the liberated silicon particles in ethanol solution interact with styrene, resulting in the substitution of Si-H bonds with those of Si-C as determined via UV photo-catalysis. The synthesized styrene-coated Si nanoparticles exhibit a stable, bright, red fluorescence under excitation with a 365 nm UV light, and yield approximately 100 mg per wafer with a synthesis time of 2 h. We believe this protocol could be further expanded as a cost-effective and high-throughput standard method in the preparation of red fluorescent Si nanoparticles.

Glass discs functionalized with alkynyl (GDA) terminated monolayers were prepared and incubated in $AgNO_3$ solution (GDA-Ag). The modified functional glass surfaces were characterized by X-ray photoelectron microscopy (XPS). The potential of GDA and GDA-Ag as antimicrobial surfaces was investigated. Anti-microbial efficacies of GDA against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus cereus, and Candida albicans was relatively low ranging from 4.67 to 17.00%. However, the GDA-Ag was very effective and its antimicrobial efficacy ranged from 99.90 to 99.99% against the same set of microbial strains except for C. albicans where it was 95.50%. The durability of the Ag bonded to the terminal alkynyl groups was studied by placing the GDA-Ag in PBS buffer solution (pH 7.4) for two weeks. Initially, the silver release was relatively fast, with 40.05 ppb of silver released in first 24 h followed by a very slow and constant release. To study the potential of GDA-Ag for medical applications, in vitro cytotoxicity of GDA-Ag against Human Embryonic Kidney 293 (HEK293) cell lines was studied using WST-assay. The cytotoxicity of the GDA-Ag was very low (5%) and was almost comparable to the control (blank glass disc) indicating that GDA-Ag has a promising potential for medical applications.

A fully packed capillary electrochromatographic (CEC) microchip with an on-column micro-solid phase extraction (SPE) bed for the preconcentration and separation of organic analytes was prepared. A linear microchannel with monodisperse colloidal silica packing was formed on a cyclic olefinic copolymer microchip with two reservoirs on both ends. Silver-cemented silica packing frit structure was formed at the entrance of the microchannel by electroless plating treatment as a base layer. A gold coating was formed on it by reducing $Au^{3+}$ to gold with hydroxylamine. Finally micro-SPE bed was formed by self-assembly adsorption of 1-dodecanethiol on it. Micro-SPE beds were about 100-150 ${\mu}m$ long. Approximately $10^3$ fold sensitivity enhancements for Sulforhodamine B, and Fluorescein in nM concentration levels were possible with 80 s preconcentration. Basic extraction characteristics were studied.

The solvolysis rate constants of 2,4-dimethoxybenzenesulfonyl chloride (1) in 30 different solvents are well correlated with the extended Grunwald-Winstein equation, using the $N_T$ solvent nucleophilicity scale and $Y_{Cl}$ solvent ionizing scale, with sensitivity values of $0.93{\pm}0.14$ and $0.65{\pm}0.06$ for l and m, respectively. These l and m values can be considered to support a $S_N2$ reaction pathway. The activation enthalpies (${\Delta}H^{\neq}$) were 12.4 to $14.6kcal{\cdot}mol^{-1}$ and the activation entropies (${\Delta}S^{\neq}$) were -15.5 to -$32.3kcal{\cdot}mol^{-1}{\cdot}K^{-1}$, which is consistent with the proposed bimolecular reaction mechanism. The solvent kinetic isotope effects (SKIE) were 1.74 to 1.86, which is also in accord with the $S_N2$ mechanism and was possibly assisted using a general-base catalysis. The values of product selectivity (S) for solvolyses of 1 in alcohol/water mixtures was 0.57 to 6.5, which is also consistent with the proposed bimolecular reaction mechanism. Third-order rate constants, $k_{ww}$ and $k_{aa}$, were calculated from the rate constants ($k_{obs}$), together with $k_{aw}$ and $k_{wa}$ calculated from the intercept and slope of the plot of 1/S vs. [water]/[alcohol]. The calculated rate constants, $k_{calc}$ ($k_{ww}$, $k_{aw}$, $k_{wa}$ and $k_{aa}$), are in satisfactory agreement with the experimental values, supporting the stoichiometric solvation effect analysis.

In this study, carbon aerogel (CA) was synthesized using a soft-template method, and the optimum conditions for the adsorption of carbon dioxide ($CO_2$) by the carbon aerogel were evaluated by controlling the activation temperature. KOH was used as the activation agent at a KOH/CA activation ratio of 4:1. Three types of activated CAs were synthesized at activation temperatures of $800^{\circ}C$(CA-K-800), $900^{\circ}C$(CA-K-900), and $1000^{\circ}C$(CA-K-1000), and their surface and pore characteristics along with the $CO_2$ adsorption characteristics were examined. The results showed that with the increase in activation temperature from 800 to $900^{\circ}C$, the total pore volume and specific surface area sharply increased from 1.2165 to $1.2500cm^3/g$ and 1281 to $1526m^2/g$, respectively. However, the values for both these parameters decreased at temperatures above $1000^{\circ}C$. The best $CO_2$ adsorption capacity of 10.9 wt % was obtained for the CA-K-900 sample at 298 K and 1 bar. This result highlights the importance of the structural and textural characteristics of the carbon aerogel, prepared at different activation temperatures on $CO_2$ adsorption behaviors.

Coptis chinensis 3'-hydroxy-N-methylcoclaurine 4'-O-methyltransferase (HOMT), an essential enzyme in the berberine biosynthetic pathway, catalyzes the methylation of 3'-hydroxy-N-methylcoclaurine (HMC) producing reticuline. A 3D model of HOMT was constructed by homology modeling and further subjected to docking with its ligands and molecular dynamics simulations. The 3D structure of HOMT revealed unique structural features which permitted the methylation of HMC. The methylation of HMC was proposed to proceed by deprotonation of the 4'-hydroxyl group via His257 and Asp258 of HOMT, followed by a nucleophilic attack on the SAM-methyl group resulting in reticuline. HOMT showed high substrate specificity for methylation of HMC. The study evidenced that Gly117, Thr312 and Asp258 in HOMT might be the key residues for orienting substrate for specific catalysis.

Accurate analysis of fly ash particles is not trivial because of complex nature in physical and chemical properties. SPLITT fractionation (SF) was employed to fractionate the fly ash particles into subpopulations in large quantities. Then the SF-fractions were analyzed by the steric mode of sedimentation field-flow fractionation (Sd/StFFF) for size analysis. The SF-fractions were also analyzed by ICP-OES. The results showed that the fly ash is mainly composed of Fe, Ca, Mg and Mn. No particular trends were observed between the particle size and the concentrations of Fe, Ca, Mg, while Mn, Cu and Zn were in higher concentrations in smaller particles. Sample preparation procedures were established, where the fly ash particles were sieved to remove large contaminants, and then washed with acetone to remove organics on the surface of particles. The sample preparation and analysis methods developed in this study could be applied to other environmental particles.

1-Methylimidazole-2-thiol, as a kind of mercaptans, is a typical organic pollutant which has not been efficiently removed. In this study, titanium dioxide ($TiO_2$) photocatalyst based on magnetic multi-walled carbon nanotubes (MWCNTs) was synthesized via hydrothermal and sol-gel methods. The as-prepared photocatalyst was extensively characterized by X-ray diffraction (XRD), X-ray energy diffraction spectrum (EDS), transmission electron microscope (TEM), Fourier transform infrared (FT-IR) spectra, UV-Vis diffuse reflectance spectra (UV-vis DRS) and vibrating sample magnetometer (VSM). This photocatalyst of $TiO_2$/$Fe_3O_4$/MWCNTs was proved to exhibit high photocatalytic efficiency and the photodegradation rate could reach nearly 82.7% for the degradation of 1-methylimidazole-2-thiol under ultraviolet irradiation. In addition, the results demonstrated that inorganic ions had a negative impact on photodegradation of 1-methylimidazole-2-thiol to varying degrees. Moreover, pH had a great and complex effect on photocatalytic degradation of 1-methylimidazole-2-thiol under ultraviolet irradiation.

Poly(A) polymerase (PAP) play an essential role for maturation of mRNA by adding the adenylate residues at the 3' end. PAP functions are regulated through protein-protein interaction at its C-terminal region. In this study, cyclophilin A (CypA), a member of the peptidyl-prolyl cis-trans isomerase family, was identified as a partner protein interacting with the C-terminal region PAP. The interaction between PAP and CypA was inhibited by the immunosuppressive drug cyclosporine A. Deletion analysis revealed that the N-terminal 56 residues of CypA are sufficient for the interaction with PAP. Interestingly, we observed that PAP and CypA colocalize in the nucleus during SDF-1-induced chemotaxis, implying that CypA could be involved in the regulation of polyadenylation by PAP in the chemotactic cells.

The work is directed toward the synthesis of a series of DO3A conjugates of tranexamates (1c-e) and their Gd complexes (2c-e) for use as a liver-specific MRI CA. All these complexes show thermodynamic and kinetic stabilities comparable to those of structurally related clinical agents such as Dotarem$^{(R)}$. Their $R_1$ relaxivities also compare well with those of commercial agent, ranging 3.68-4.84 $mM^{-1}s^{-1}$. In vivo MR images of mice with 2a-e reveal that only 2a exhibits liver-specificity. Although 2b and 2c show strong enhancement in liver, yet no bile-excretion is observed to be termed as a liver-specific agent. The rest behaves much like ordinary ECF CAs like Dotarem$^{(R)}$. The new series possess no toxicity to be employed in vivo.

A kinetic study is reported on nucleophilic substitution reactions of 4-nitrophenyl X-substituted-2-methylbenzoates (5a-e) with a series of cyclic secondary amines in MeCN at $25.0{\pm}0.1^{\circ}C$. The Hammett plots for the aminolysis of 5a-e are nonlinear, e.g., substrates possessing an electron-donating group (EDG) in the benzoyl moiety deviate negatively from the linear line composed of substrates bearing no EDG. In contrast, the Yukawa-Tsuno plots for the same reactions exhibit excellent linear correlations with ${\rho}_X$ = 0.30-0.59 and r = 0.90-1.15, indicating that the nonlinear Hammett plots are caused by stabilization of the substrates possessing an EDG through resonance interactions but are not due to a change in the rate-determining step (RDS). The Br${\phi}$nsted-type plots are linear with ${\beta}_{nuc}$ = 0.66-0.82. Thus, the aminolysis of 5a-e has been suggested to proceed through a stepwise mechanism in which departure of the leaving group occurs at the RDS. The ${\rho}_X$ and ${\beta}_{nuc}$ values for the aminolysis of 5a-e increase as the reactivity of the substrates and amines increases, indicating that the reactivity-selectivity principle is not applicable to the current reactions.

The organocatalytic enantioselective Michael addition reaction promoted by chiral binaphthyl-modified squaramide catalyst have been developed, allowing facile synthesis of the corresponding chiral 2-amino-4H-chromenes derivatives with excellent enantioselectivity (up to 99% ee). The method reported represents a practical entry for the preparation of chiral 2-amino-4H-chromenes derivatives.

Sisal fiber, an agricultural resource abundantly available in china, has been used as raw material to prepare activated carbon with high surface area and huge pore volume by chemical activation with zinc chloride. The orthogonal test was designed to investigate the influence of zinc chloride concentration, impregnation ratio, activation temperature and activation time on preparation of activated carbon. Scanning electron micrograph, Thermo-gravimetric, $N_2$-adsorption isotherm, mathematical models such as t-plot, H-K equation, D-R equation and BJH methods were used to characterize the properties of the prepared carbons and the activation mechanism was discussed. The results showed that $ZnCl_2$ changed the pyrolysis process of sisal fiber. Characteristics of activated carbon are: BET surface area was $1628m^2/g$, total pore volume was $1.316m^3/g$ and ratio of mesopore volume to total pore volume up to 94.3%. These results suggest that sisal fiber is an attractive source to prepare mesoporous high-capacity activated carbon by chemical activation with zinc chloride.

The kinetics and mechanism of oxidation of sulfanilic acid by N-chloro-p-toluene sulfonamide (chloramine-T) have been studied in acid medium. The species of chloramine-T were analysed on the basis of experimental observations and predominantly reactive species was taken into account for proposition of most plausible reaction mechanism. The derived rate law (1) conforms to such a mechanism. $$-\frac{d[CAT]}{dt}=\frac{kK_1[RNHCl][SA]}{K_1+[H^+]}$$ (1) All kinetic parameters were evaluated. Activation parameters such as energy and entropy of activation were calculated to be $(61.67{\pm}0.47)kJmol^{-1}$ and $(-62.71{\pm}2.48)kJmol^{-1}$ respectively employing Eyring equation.

As a Chinese herbal medicine used in East Asia for thousands years, Cortex Magnoliae Officinalis (CMO) was observed to possess a protective effect against OH-induced DNA damage in the study. To explore the mechanism, the antioxidant effects and chemical contents of five CMO extracts were determined by various methods. On the basis of mechanistic analysis, and correlation analysis between antioxidant effects & chemical contents, it can be concluded that CMO exhibits a protective effect against OH-induced DNA damage, and the effect can be attributed to the existence of phenolic compounds, especially magnolol and honokiol. They exert the protective effect via antioxidant mechanism which may be mediated via hydrogen atom transfer (HAT) and/or sequential electron proton transfer (SEPT). In the process, the phenolic-OH moiety in phenylpropanoids is oxidized to the stable quinine-like form and the stability of quinine-like can be ultimately responsible for the antioxidant.

In this study, we have investigated the flow rate effects of Ag nanoparticle (NP) suspensions on the progress of the cell cycle by using a microfluidic image cytometry (${\mu}FIC$)-based approach. Compared with the conventional "static" exposure conditions, enhancements in G2 phase arrest were observed for the cells under continuously flowing "dynamic" exposure conditions. The "dynamic" exposure conditions, which mimic in vivo systems, induced an enhanced cytotoxicity by accelerating G2 phase arrest and subsequent apoptosis processes. Moreover, we have also shown that the increases in delivered NP dose due to the continuous supply of Ag NPs contributed dominantly to the enhanced cytotoxicity observed under the "dynamic" exposure conditions, while the shear stress caused by these slowly flowing fluids (i.e., flow rates of 6 and $30{\mu}L/h$) had only a minor influence on the observed enhancement in cytotoxicity.

Two series of SAHA-liked hydroxamate analogues were designed, synthesized and evaluated for their biological activities against nuclear HDACs. Compounds of Series I were found to be very effective inhibitors of cancer cell growth in the PC-3, Hut78, K562 and Jurkat E6-1 cancer cell lines with mean $IC_{50}$ values from $0.54{\mu}M$ (Ic, Jurkat E6-1) to $7.73{\mu}M$ (Ib, K562), indicating that they are cell permeable and the benzimidazolyl-based ligands are flexible enough to occupy the binding site of HDAC.

A bent-shape triazolyl derivative was synthesized via click chemistry, and its photophysical property was investigated in various solvents. In contrast to the invisible ultraviolet emission of other solutions, the chloroform solution exhibited a blue light emission at 460 nm. Furthermore, the blue fluorescence intensified as the UV exposure time at 365 nm increased. On the basis of $^1H$-NMR, pH paper, and acid-addition studies, we confirmed that chloroform was decomposed into HCl with the aid of the triazolyl derivative. The density functional theory calculations suggested that the eye-detectable blue fluorescence was attributed to an intramolecular charge transfer process of the protonated triazolyl derivative in the chloroform solution.

A series of bimetallic Cu-Zn/$SiO_2$ catalysts were prepared via thermal decomposition of the as-synthesized $CuZn(OH)_4(H_2SiO_3)_2{\cdot}nH_2O$ hydroxides precursors. This highly dispersed Cu-solid base catalyst is extremely effective for hydrogenation of ethyl acetate to ethanol. The reduction and oxidation features of the precursors prepared by coprecipitation method and catalysts were extensively investigated by TGA, XRD, TPR and $N_2$-adsorption techniques. Catalytic activity by ethyl acetate hydrogenation of reaction temperatures between 120 and $300^{\circ}C$, different catalyst calcination and reduction temperatures, different Cu/Zn loadings have been examined extensively. The relation between the performance for hydrogenation of ethyl acetate and the structure of the Cu-solid base catalysts with Zn loading were discussed. The detected conversion of ethyl acetate reached 81.6% with a 93.8% selectivity of ethanol. This investigation of the Cu-Zn/$SiO_2$ catalyst provides a recently proposed pathway for ethyl acetate hydrogenation reaction to produce ethanol over Cu-solid base catalysts.

Copper ink has been prepared by mixing copper(II) formate and 2-ethyl-1-hexylammonium bicarbonate (EHABC) to overcome some weak points such as aggregation and degradation of copper nano-type ink. Ink was coated on glass substrate and calcined at $110^{\circ}C$ to $150^{\circ}C$ to generate electrically conductive copper film under two different atmospheres such as nitrogen gas and gaseous mixture of formic acid and methanol. The lowest resistivity of $1.88{\mu}{\Omega}{\cdot}cm$ of copper film was obtained at $150^{\circ}C$ in gaseous formic acid condition. The long-term resistivity shows to increase from $1.88{\mu}{\Omega}{\cdot}cm$ to $2.61{\mu}{\Omega}{\cdot}cm$ after one month.

We have reported the reaction probability, integral reaction cross section, and rate constant for the title system calculated with the aid of a time-dependent wave packet approach. The ab initio potential energy surface (PES) of Prudente et al. (Chem. Phys. Lett. 2009, 474, 18) is employed for the purpose. The calculations are carried out over the collision energy range of 0.05-1.4 eV for the two reaction channels of H + LiH ${\rightarrow}$ Li + $H_2$ and $H_b$ + $LiH_a$ ${\rightarrow}$ $LiH_b$ + $H_a$. The Coriolis coupling (CC) effect are taken into account. The importance of including the Coriolis coupling quantum scattering calculations are revealed by the comparison between the Coriolis coupling and the centrifugal sudden (CS) approximation calculations.

Substance P and neuropeptide Y were discovered as early diagnostic biomarkers of acute myocardial infarction in Korean patients and confirmed using enzyme-linked immunosorbent assay (ELISA). We screened 12 peptides from the sera of Korean acute myocardial infarction (AMI) patients and detected 3 peptides (neuropeptide Y, substance P, and N-terminal pro-B-type natriuretic peptide) to be elevated from patients' sera by liquid chromatography mass/mass spectrometry. The elevated concentration of 3 peptides was confirmed by ELISA. The screening results revealed the substance P, neuropeptide Y, and pro-B-type natriuretic peptide (47-76) concentrations were higher in patients' sera than in healthy controls. The sensitivity and specificity of substance P for AMI diagnostic marker were 80% and 83%, respectively, and those of neuropeptide Y were 87% and 90%, respectively compared to healthy controls. These results suggest that substance P and neuropeptide Y could be used as early diagnostic biomarkers in patients with AMI.

The distribution of basic nitrogen-containing compounds in three vacuum gas oils (VGOs) with different boiling ranges and their dewaxed oils from the lube base oil refining unit of a refinery were characterized by positive-ion electrospray ionization (ESI) Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). It turned out that the composition of basic nitrogen compounds in the samples varied significantly in DBE and carbon number, and the dominant basic N-containing compounds in these oil samples were N1 class species. $N_1O_1$, $N_1O_2$, and $N_2$ class species with much lower relative abundance were also identified. The composition of basic nitrogen compounds in VGOs and dewaxed VGOs were correlated with increased boiling point and varied in DBE and carbon numbers. The comparison of the analytical results between VGOs and dewaxed VGOs indicated that more basic N-containing compounds in VGO with low carbon number and small molecular weight tend to be removed by solvent refining in lube base oil processing.

The hollow $SiO_2$ spheres with uniform size were synthesized by a modified Stober method under the control of polyelectrolytes (PSS and PAA) as templates. This synthetic route includes the formation of spherical colloid micelle in ethanol solution, hydrolysis of TEOS under control of ammonia, and the removal of polyelectrolyte by washing or calcination. Hollow silica spheres with controllable core diameters between 100 and 270 nm and wall thickness between 15 and 50 nm have been synthesized. The influence of template solution concentration and solvent and dispersant on the formation of silica hollow spheres is studied and reported in detail.

Pseudo-first-order rate constants ($k_{obsd}$) have been measured spectrophotometrically for the reactions of Y-substituted-phenyl benzoates (5a-j) with potassium ethoxide (EtOK) in anhydrous ethanol at $25.0{\pm}0.1^{\circ}C$. The plots of $k_{obsd}$ vs. [EtOK] curve upward regardless of the electronic nature of the substituent Y in the leaving group. Dissection of $k_{obsd}$ into the second-order rate constants for the reactions with the dissociated $EtO^-$ and ion-paired EtOK (i.e., $k_{EtO^-}$ and $k_{EtOK}$, respectively) has revealed that the ion-paired EtOK is more reactive than the dissociated $EtO^-$. The Br${\phi}$nsted-type plots for the reactions with the dissociated $EtO^-$ and ion-paired EtOK exhibit highly scattered points with ${\beta}_{lg}$ = -$0.5{\pm}0.1$. The Hammett plots correlated with ${\sigma}^o$ constants result in excellent linear correlations, indicating that no negative charge develops on the O atom of the leaving Y-substituted-phenoxide ion in transition state. Thus, it has been concluded that the reactions with the dissociated $EtO^-$ and ion-paired EtOK proceed through a stepwise mechanism, in which departure of the leaving group occurs after the RDS, and that $K^+$ ion catalyzes the reactions by increasing the electrophilicity of the reaction center through a four-membered cyclic TS structure.

Three new transition metal complexes based on Ozagrel $[Cu(Ozagrel)]_n$ (1), $[Zn(Ozagrel)(Cl)]_n$ (2), ${[Mn_2-(Ozagrel)(1,4-ndc)_2]{\cdot}(H_2O)}_n$ (3), (Ozagrel = 3-(4-((1H-imidazol-1-yl)methyl)phenyl)acrylic acid; 1,4-ndc = 1,4-Naphthalenedicarboxylic acid) have been hydrothermally synthesized and characterized by elemental analyse, IR, TG, PXRD, electrochemical analysis and single crystal X-ray diffraction. X-ray structure analysis reveals that 1 and 3 are 3D coordination polymers, while complex 2 is a two-dimensional network polymer, the 2D layers are further packed into 3D supramolecular architectures that are connected through hydrogen bonds. The electrochemistry of 1-3 was studied by cyclic voltammetry in methanol and water using a glassy carbon working electrode. Also, thermal decomposition process and powder X-ray diffraction of complexes were investigated.

Water dispersible ZnS based nanocrystals: ZnS (blue), ZnS:Cu (green) and ZnS:Mn (yellow-orange) were synthesized by capping the surface of the nanocrystals with a mercaptopropionic acid (MPA) molecule. The MPA capped ZnS based nanocrystal powders were characterized by using XRD, HR-TEM, EDXS, FT-IR, and FT-Raman spectroscopy. The optical properties of the colloidal nanocrystals were also measured by UV/Vis and photoluminescence (PL) spectroscopies in aqueous solvents. The PL spectra showed broad emission peaks at 440 nm (ZnS), 510 nm (ZnS:Cu) and 600 nm (ZnS:Mn), with relative PL efficiencies in the range of 4.38% to 7.20% compared to a reference organic dye. The measured average particle sizes from the HR-TEM images were in the range of 4.5 to 5.0 nm. White light emission was obtained by mixing these three nanocrystals at a molar ratio of 20 (ZnS):1 (ZnS:Cu):2 (ZnS:Mn) in water. The measured color coordinate of the white light was (0.31, 0.34) in the CIE chromaticity diagram, and the color temperature was 5527 K.

A rapid, accurate and precise method for the determination of 22 amino acids in Isatidis Radix by Hydrophilic Interaction Ultra-High-Performance Liquid Chromatography Coupled with Triple-Quadrupole Mass Spectrometry (HILIC-UPLC-MS/MS) was established. Chromatographic separation was carried out on a Acquity UPLC BEH Amide column ($2.1mm{\times}100mm$, $1.7{\mu}m$) with gradient elution of acetonitrile (containing 0.05% formic acid and 2 mM ammonium formate) and water (containing 0.15% formic acid and 10 mM ammonium formate) at a flow rate of 0.4 mL/min; Waters Xevo$^{TM}$ TQ worked in multiple reaction monitoring mode. All components were separated in 17 min. All calibration curves were linear ($R^2$ > 0.991) over the tested ranges. The limits of detection (LOD) and limits of quantitation (LOQ) for these compounds were 0.21-79.55 and 0.72-294.23 ng/mL, respectively. The average recoveries were in the range of 93.75-104.16% with RSD value less than 6.56%. Therefore, this method could be an alternative assay for the determination of 22 amino acids in Isatidis Radix due to its rapidness, sensitivity, less sample and solvent consumption.

The nitrogen doped porous carbon nanopolyhedrons (N-PCNPs)-multi-walled carbon nanotubes (MWCNTs) hybrid materials were prepared for the first time. Combining the excellent catalytic activities, good electrical conductivities and high surface areas of N-PCNPs and MWCNTs, the simultaneous determination of hydroquinone (HQ), catechol (CC) and resorcinol (RE) with good analytical performance was achieved at the N-PCNPs-MWCNTs modified electrode. The linear response ranges for HQ, CC and RE are 0.2-455 ${\mu}M$, 0.7-440 ${\mu}M$ and 3.0-365 ${\mu}M$, respectively, and the detection limits (S/N = 3) are $0.03{\mu}M$, $0.11{\mu}M$ and $0.38{\mu}M$, respectively. These results are much better than that obtained on some graphene or CNTs-based materials modified electrodes. Furthermore, the developed sensor was successfully applied to simultaneously detect HQ, CC and RE in the local river water samples.

A new needle-based device for headspace wire coated in-needle microextraction (HS-WC-INME) was fabricated using a nichrome wire coated with poly(ethylene glycol) (PEG) and poly(dimethylsiloxane) (PDMS) mixture. The proposed needle device was applied for the determination of volatile compounds in lavender and lavandin essential oils by gas chromatography. Fundamental parameters such as needle design, conditions of extraction and desorption were optimized along with the validation of the extraction and desorption efficiency. The optimal conditions were 30 min extraction at $50^{\circ}C$ and 2 min desorption at $240^{\circ}C$. The calibration curves showed good linearity with the suitable values of the coefficients of determination ($r^2$) greater than 0.99. The limits of detection for linalyl acetate, ${\beta}$-caryophyllene, linalool and (+)-limonene were 7.15, 9.04, 10.79 and 22.26 ng, respectively. Analytical recoveries were acceptable in the test samples, varying from 86.7% to 108.0%. The values of relative standard deviations for run to run showed range less than 0.9% while 3.9% through 7.2% for needle to needle. The proposed PEG-PDMS coating could be more suitable than PDMS coating to extract particular polar groups such as alcohols.

In order to explore new coordination frameworks with novel designed 3-nitrophthalic acid and the same N-donor ancillary ligand, a series of novel coordination complexes, namely, $[Cd_2(3-NPA)_2(TBZ)_2(H_2O)_2]{\cdot}2H_2O$(1), $[Zn_2(3-NPA)_2(TBZ)_2]$(2), $[Zn_2O(3-NPA)(TBZ)(H_2O)]_n$(3), $[Co(3-NPA)(TBZ)(H_2O)]_n$(4) (3-$NPAH_2$ = 3-nitrophthalic acid), have been hydrothermally synthesized through the reaction of 3-nitrophthalic acid with divalent transition-metal salts in the presence of N-donor ancillary coligand (TBZ = thiabendazole). As a result of various coordination modes of the versatile 3-$NPAH_2$ and the coligand TBZ, these complexes exhibit structural diversity. X-ray structure analysis reveals that 1 and 2 are 0D molecular rings, while 3 and 4 are one-dimensional (1D) infinite chain polymers. And the weak O-H${\cdots}$O hydrogen bonds and C-H${\cdots}$O nonclassical hydrogen bonds as well as ${\pi}-{\pi}$ stacking also play important roles in affecting the final structure where complexes 1, 3 and 4 have 3D supramolecular architectures, while complex 2 has a 2D supramolecular network. Also, IR spectra, fluorescence properties and thermal decomposition process of complexes 1-4 were investigated.

A kinetic study on nucleophilic substitution reactions of 4-nitrophenyl X-substituted-benzoates (7a-i) with EtOK in anhydrous ethanol at $25.0{\pm}0.1^{\circ}C$ is reported. The plots of pseudo-first-order rate constants ($k_{obsd}$) vs. [EtOK] curve upward. Dissection of $k_{obsd}$ into the second-order rate constants for the reactions with the dissociated $EtO^-$ and ion-paired EtOK (i.e., $k_{EtO^-}$ and $k_{EtOK}$, respectively) has revealed that the ion-paired EtOK is more reactive than the dissociated $EtO^-$. Hammett plots for the reactions of 7a-i with the dissociated $EtO^-$ and ion-paired EtOK exhibit excellent linear correlations with ${\rho}_X$ = 3.00 and 2.47, respectively. The reactions have been suggested to proceed through a stepwise mechanism in which departure of the leaving-group occurs after the RDS. The correlation of the $k_{EtOK}/k_{EtO^-}$ ratio with the ${\sigma}_X$ constants exhibits excellent linearity with a slope of -0.53. It is concluded that the ion-paired EtOK catalyzes the reaction by increasing the electrophilicity of the reaction center rather than by enhancing the nucleofugality of the leaving group.

Rh doped Ni and Co catalysts, Rh-M/$CeO_2$(20 wt %)-$Al_2O_3$ (0.2 wt % of Rh; M = Ni or Co, 20 wt %) were synthesized to produce hydrogen via autothermal reforming (ATR) of commercial gasoline at $700^{\circ}C$ under the conditions of a S/C ratio of 2.0, an O/C ratio of 0.84, and a gas hourly space velocity (GHSV) of $20,000h^{-1}$. The Rh-Ni/$CeO_2$(20 wt %)-$Al_2O_3$ catalyst (1) exhibited excellent activities, with $H_2$ and ($H_2$+CO) yields of 2.04 and 2.58 mol/mol C, respectively. In addition, this catalyst proved to be highly stable over 100 h without catalyst deactivation, as evidenced by energy dispersive spectroscopy (EDX) and elemental analyses. Compared to 1, Rh-Co/$CeO_2$(20 wt %)-$Al_2O_3$ catalyst (2) exhibited relatively low stability, and its activity decreased after 57 h. In line with this observation, elemental analyses confirmed that nearly no carbon species were formed at 1 while carbon deposits (10 wt %) were found at 2 following the reaction, which suggests that carbon coking is the main process for catalyst deactivation.

Isospecific propylene polymerization behavior of meta- and para-Lewis base (E) functionalized unbridged zirconocenes ($[1-(E_n-Ph)-3,4-Me_2C_5H_2]_2ZrCl_2$, E = $NMe_2$, OMe; n = 1 or 2) was investigated under bulk conditions. Catalytic activity of the zirconocenes, and molecular weight and isotacticity of polypropylenes are found to be dependent on the position and number of the Lewis base functional groups in the zirconocenes. All the crude polypropylenes possess a broad molecular weight distribution and multi-melting transitions, indicating an involvement of multi-catalytic active species in the polymerization. The highest [mmmm] value of an isotactic portion of the polypropylenes reached 89%, which is higher than that (85%) from the well-known $C_2$-symmetric EBIZr (rac-$Et(Ind)_2ZrCl_2$) catalyst. These results support that the in situ generated, rigid rac-like cation-anion pair through the Lewis acid-base interactions between the functional groups of zirconocenes and methylaluminoxane anion is effective in the formation of isotactic polypropylene under bulk propylene polymerization conditions.

Three single crystals of fully dehydrated $Co^{2+}$-exchanged zeolite Y (Si/Al = 1.56) were prepared by the exchange of $Na_{75}$-Y ($|Na_{75}|[Si_{117}Al_{75}O_{384}]$-FAU) with aqueous streams 0.05 M in $Co(NO_3)_2$, pH = 5.1, at 294 K for 6 h, 12 h, and 18 h, respectively, followed by vacuum dehydration at 673 K. Their single-crystal structures were determined by synchrotron X-ray diffraction techniques in the cubic space group Fd3m at 100(1) K. They were refined to the final error indices $R_1/wR_2$ = 0.0437/0.1165, 0.0450/0.1228, and 0.0469/0.1278, respectively. Their unit-cell formulas are $|Co_{29.1}Na_{11.8}H_{5.0}|[Si_{117}Al_{75}O_{384}]$-FAU, $|Co_{29.8}Na_{11.0}H_{4.4}|[Si_{117}Al_{75}O_{384}]$-FAU, and $|Co_{30.3}Na_{9.5}H_{4.9}|[Si_{117}Al_{75}O_{384}]$-FAU, respectively. In all three crystals, $Co^{2+}$ ions occupy sites I, I' and II; $Na^+$ ions are also at site II. The tendency of $Co^{2+}$ exchange slightly increases with increasing contact time as $Na^+$ content and the unit cell constant of the zeolite framework decrease.

Lipoprotein-associated phospholipase A2 (Lp-$PLA_2$) is a crucial enzyme in atherosclerosis as a potential drug target. The most remarkable Lp-$PLA_2$ inhibitory drug is Darapladib. We determined the binding pose of Darapladib to Lp-$PLA_2$ through docking study. Darapladib formed two hydrogen bonding interactions with the side chain of Tyr160 and Gln352 and several pi-pi interactions with aromatic and aliphatic hydrophobic residues of Lp-$PLA_2$. It is known that the dietylpropan-amine moiety of Darapladib has influence on the improvement of its oral bioavailability and we supposed this in our docking results.

Functionalization of zigzag graphene nanoribbon (ZGNR) segment containing 120 C atoms with pyridine (3NV-ZGNR) defects was investigated on the basis of density-functional theory (DFT) calculations, results show that edge-modified ZGNRs by Sc can adsorb multiple hydrogen molecules in a quasi-molecular fashion, thereby can be a potential candidate for hydrogen storage. The stability of Sc functionalization is dictated by a strong binding energy, suggesting a reduction of clustering of metal atoms over the metal-decorated ZGNR.