A selective synthetic method of the 2,5-biaryltriazolones has been developed via copper-catalyzed N-arylation reaction. Aryltriazolones, which were readily prepared from commercially available compounds, were N-arylated to 2,5-biaryltriazolones with high regioselectivity. This approach allows for access to a variety of 2,5-biaryl-1,2,4-trizol-3-ones in a simple and practical manner.

c-Jun N-terminal kinase 1 (JNK1) is involved in apoptosis, cell differentiation and proliferation. It has been reported that a flavonol, quercetin, induces cell apoptosis and JNK inhibition. In order to understand the interactions of quercetin and JNK1, we performed receptor-oriented pharmacophore based in silico screening and determined a binding model of human JNK1 and quercetin at the ATP binding site of JNK1. 5-OH of A-ring and carbonyl oxygen of C-ring of quercetin participated in hydrogen bonding interactions with backbone of E109 and M111. Additionally, 3'-OH of quercetin formed a hydrogen bond with backbone of I32. One hydrophobic interaction is related on the binding of quercetin to JNK1 with I32, N114, and V158. Based on this model, we conducted a docking study with other 8 flavonols to find possible flavonoids inhibitors of JNK1. We proposed that one flavonols, rhamnetin, can be a potent inhibitor of JNK and 5-OH of A-ring and 3'-OH of B-ring of flavonols are the essential features for JNK1 inhibition.

Spectroscopic and quantum mechanical studies of the Et3PAuCl complex were performed to characterize the effect of aurophilicity on the optical properties. When excited with UV light at low temperature, the crystalline complex produced a deep luminescence in both the blue (high-energy) and red (low-energy) regions of the spectrum. The intensity of the low-energy luminescence was markedly reduced in the powdered state and quenched in the solution state. Time-dependent density functional theory (TD-DFT) calculations on electronic structures of both the ground and excited states of aggregates $[Et_3PAuCl]_n$ (n = 1 - 3) indicated that the low-energy luminescence was attributable to Au-centered transitions, which are significantly affected by aurophilic interactions. By contrast, the high-energy luminescence appeared to be independent of the state of the complex and was strongly associated with the charge transfer from Cl to Au.

Studies on the molecular construction and structures of $M(NO_3)_2$ (M = Cu(II), Ni(II)) complexes with 1,2-bis(dimethyl-3-pyridylsilyl)ethane (L) have been carried out. Formation of each molecular skeleton appears to be primarily associated with a suitable combination of bidentate N-donors of L and coordinating nature of octahedral metal(II) ions: [$Cu(NO_3)_2(L)_2$] yields a 2-dimensional sheet structure consisting of 44-membered $Cu_4L_4$ skeleton whereas $[Ni(L)_2(H_2O)_2](NO_3)_2$ produces an interpenetrated 3-dimensional structure consisting of 66-membered cyclohexanoid ($M_6L_6$) skeleton. The Cu(II) ion prefers nitrate whereas the Ni(II) ion prefers water molecules as the fifth and the sixth ligands.

G-protein coupled receptors (GPCRs) are involved in a wide variety of physiological processes and are known to be targets for nearly 50% of drugs. The various functions of GPCRs are affected by their cognate ligands which are mainly classified as agonists and antagonists. The purpose of this study is to develop a Bayesian classification model, that can predict a compound as either human GPCR agonist or antagonist. Total 6627 compounds experimentally determined as either GPCR agonists or antagonists covering all the classes of GPCRs were gathered to comprise the dataset. This model distinguishes GPCR agonists from GPCR antagonists by using chemical fingerprint, FCFP_6. The model revealed distinctive structural characteristics between agonistic and antagonistic compounds: in general, 1) GPCR agonists were flexible and had aliphatic amines, and 2) GPCR antagonists had planar groups and aromatic amines. This model showed very good discriminative ability in general, with pretty good discriminant statistics for the training set (accuracy: 90.1%) and a good predictive ability for the test set (accuracy: 89.2%). Also, receiver operating characteristic (ROC) plot showed the area under the curve (AUC) to be 0.957, and Matthew's Correlation Coefficient (MCC) value was 0.803. The quality of our model suggests that it could aid to classify the compounds as either GPCR agonists or antagonists, especially in the early stages of the drug discovery process.

The surfaces of $TiO_2$ and ZnO nanoparticles have been modified by gold (Au) nanoparticles by a reduction method in solution. Their interfacial electronic structures and optical absorptions have been studied by depth-profiling X-ray photoelectron spectroscopy (XPS) and UV-vis absorption spectroscopy, respectively. Upon Au-modification, UV-vis absorption spectra reveal a broad surface plasmon peak at around 500 nm. For the as-prepared Au-modified $TiO_2$ and ZnO, the Au $4f_{7/2}$ XPS peaks exhibit at 83.7 and 83.9 eV, respectively. These are due to a charge transfer effect from the metal oxide support to the Au. For $TiO_2$, the larger binding energy shift from that (84.0 eV) of bulk Au could indicate that Au-modification site of $TiO_2$ is different from that of ZnO. On the basis of the XPS data with sputtering depth, we conclude that cationic (1+ and 3+) Au species, plausibly $Au(OH)_x$ (x = 1-3), commonly form mainly at the Au-$TiO_2$ and Au-ZnO interfaces. With $Ar^+$ ion sputtering, the oxidation state of Ti dramatically changes from 4+ to 3+ and 2+ while that (2+) of Zn shows no discernible change based on the binding energy position and the full-width at half maximum (FWHM).

Quantum mechanical properties of unsymmetrical and unfunctionalized trans-stilbene derivatives 1-3, which had been prepared by solid-phase parallel syntheses, were characterized using mPW1PW91/6-311G(d,p) (hybrid HF-DF) calculations. The total electronic energies, normal vibrational modes, Gibbs free energies, and HOMOs and LUMOs of sixteen different structures from three different groups were analyzed. The energy differences between the HOMOs and LUMOs of the various unsymmetrical trans-stilbenes are in accord with the maximum absorption peaks of the experimental UV spectra of 1-3. The calculated normal vibrational modes of 21 were comparable with its experimental IR spectrum. The $\pi$-conjugation in the para-connected biphenyl group of 2 is better than the one in the metaconnected biphenyl group on the shorter side of 3.

We synthesized and tested the anti-HIV activity of the SATE prodrug of a 2'-methyl 5'-norcarbocyclic adenine analogue. The introduction of a methyl group in the 2'-position was performed by the addition of a carbonyl using isopropenyl magnesium bromide. The adenine base was efficiently coupled using the Mitsunobu reaction. The chemical stability study of the bis(SATE) derivative 18 was measured at neutral (pH 7.2) and slightly acid (milli-Q water, pH 5.5) pH, and compounds 16 and 18 were evaluated as potential anti-HIV-1 agents.

Closely arranged CdSe and Zn doped CdSe vertical nanorod bundles were grown directly on FTO coated glass by using electrodeposition method. Structural analysis by XRD showed the hexagonal phase without any precipitates related to Zn. FE-SEM image showed end capped vertically aligned nanorods arranged closely. From the UV-vis transmittance spectra, band gap energy was found to vary between 1.94 and 1.98 eV due to the incorporation of Zn. Solar cell parameters were obtained by assembling photoelectrochemical cells using CdSe and CdSe:Zn photoanodes, Pt cathode and polysulfide (1M $Na_2S$ + 1M S + 1M NaOH) electrolyte. The efficiency was found to increase from 0.16 to 0.22 upon Zn doping. Electrochemical impedance spectra (EIS) indicate that the charge-transfer resistance on the FTO/CdSe/polysulfide interface was greater than on FTO/CdSe:Zn/polysulfide. Cyclic voltammetry results also indicate that the FTO/CdSe:Zn/polysulfide showed higher activity towards polysulfide redox reaction than that of FTO/CdSe/polysulfide.

Development of the methods to organize zeolite microcrystals into closely packed and uniformly aligned monolayers on various substrates have been pursued viewing microparticles as a novel class of building blocks. We now report that the vertically aligned zeolite monolayer can be applied as novel supramolecularly organized systems for anisotropic photoluminescence in high dichroic ratio, to study energy transfer dynamics between the internal and external fluorophores, and to develop zeolite-based advanced materials. Study of polarized fluorescence spectroscopy and angle-dependent intensity change with dye molecules in different surroundings further provides insight into molecular interactions that can be used for the future design of optoelectronic device in nanometer size. In addition, this report shows that isolating of organic dye through surface treatment is crucial for preventing the egress of the incorporated dye molecules from the channels of zeolite to the solution and to enhance the anisotropic luminescence.

The reaction of $PdCl_2$ dispersed in tetra-n-butylammonium bromide with tributyl amine at $120^{\circ}C$ under argon leads to stable isolable nanometric particles. X-ray diffraction analysis of the material indicated that it is constituted of Pd(0). Transmission electron microscopy analysis of the particles dispersed in acetone shows the mean particle size distribution ($4{\pm}1\;nm$). The isolated palladium nanoparticles can be dispersed in an ionic liquid or in methanol or used in solventless condition for selective hydrogenation of 2-hexyne under mild reaction conditions(0.2 MPa and $20^{\circ}C$). The commercial variety of the Lindlar catalyst was also studied for comparative investigations.

To improve the separation property and stability of metal chelate Cu(II) column, three new kinds of multidentate aminocarboxy silica columns with cation-exchange properties were synthesized using glutamic acid (Glu), glutamic acidbromoacetic acid (Glu-BAA), glutamic acid-bromosuccinic acid (Glu-BSUA) as ligands and silica gel as matrix. The standard proteins were separated with prepared chromatographic columns. The stationary phases exhibited the metal chelate property after fixing copper ion (II) on the synthesized multidentate ligand silica columns. The binding capacity of immobilized metal ion was related with the dentate number of multidentate ligands. Chromatographic behavior of proteins and the leakage of immobilized metal ion on multidentate chelate Cu(II) columns were affected by the dentate number of multidentate ligands and competitive elution system directly. The results showed that quinquedentate Glu-BSUA-Cu(II) column exhibited better chromatographic property and stability as compared with tridentate Glu-Cu(II) column, tetradentate Glu-BAA-Cu(II) column and commonly used IDA-Cu(II) column.

This paper describes the preparation and study of thermally stimulated discharge conductivity (TSDC) study of cellulose triacetate (CTA) - multiwalled carbon nanotubes (MWNTs) film thermoelectrets. TSDC has been carried out in the temperature range 308 - 503 K and at four different polarizing fields. The conductivity of the polymer blends increased with increase in temperature showing a semi-conducting behavior. The apparent activation energy also showed a pronounced effect with the increase in the content of MWNTs.

The whole plant of Euphorbia helioscopia is an important traditional Chinese medicine. Fom its BuOH soluble extract, one new lactam (1), three new terpenoids (2-4) including a new naturally occurring compound, and three known compounds were isolated. Their structures were identified by spectroscopic evidences. In particular, the absolute configurations of side chain of compounds 1 and 2 were determined using computational methods.

The series of alkali metal perhalogenates, $MXO_4$ (M=Li, Na, K and X=F, Cl, Br, I) were theoretically studied with the help of MP2 methods. Bidentate as well as tridentate structures were found to be stable minima. The bidentate structures are becoming preferred as the size of halogen increases and as the size of metal decreases. Geometrically, the M-O and M-X distances of both bidentate and tridentate structures, increase with the size of metal. Generally, the M-$O_1$ distances of tridentate forms are longer than the corresponding distances of bidentate forms, while the M-X distances of tridentate forms show the opposite trend. Similarly, the X-O bonds increase with the size of halogens except $MXO_4$ pairs, where the X-O bonds are unusually long due to the enhanced oxygen-oxygen repulsions. In short, the relative energetics as well as the geometrical parameters are found to be strongly dependent on halogen and metal elements.

A density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) adsorbents is conducted to understand the chemical activity of the oxygen site on the BaO (100) surface. This study evaluated the adsorption energies and geometries of a single $CO_2$ molecule and a pair of $CO_2$ molecules on the BaO (100) surface. A quantum calculation was performed to obtain information on the molecular structures and molecular reaction mechanisms; the results of the calculation indicated that $CO_2$ was adsorbed on BaO to form a stable surface carbonate with strong chemisorption. To study the interactive $CO_2$ adsorption on the BaO (100) surface, a pair of $CO_2$ molecules was bound to neighboring and distant oxygen sites. The interactive $CO_2$ adsorption on the BaO surface was found to slightly weaken the adsorption energy, owing to the interaction between $CO_2$ molecules.

Reaction of [(bpy)Pd]$(PF_6)_2$ (bpy = 2,2'-bipyridine) with racemic bis(isonicotinoyl)-1,1'-bi-2-naphtholate (L) in acetone, and followed by addition of chloroform and solvent evaporation allows to form amorphous micro-bowl morphology consisting of $[(bpy)PdL]_2(PF_6)_4$ without any template or additive. In contrast, the reaction and recrystallization in acetone for 1 week produce parallel-piped single crystals consisting of $[(bpy)_3Pd_3({\mu}_3-HPO_4)_2](PF_6)_2$. The formations of micro-bowl and parallel-piped single crystal morphologies appear to be primarily associated with the kinetic and thermodynamic control, respectively. The formation of micro-bowls may be attributed to eruption of organic solvents. Cosolvent effects and chemical properties on the formation of micro-bowl morphology have been observed.

Theoretical studies have been performed to study the binding characteristics of the alkali metal iodides, M-I (M = Li, Na, K), to poly(ethylene oxide) (PEO, I), poly(ethylene amine) (PEA, II) and poly(ethylene N-methylamine) (PEMA, III) via the B3LYP method. In this study, two types of complexes, singly-coordinated systems (SCS) and doubly-coordinated systems (DCS), were considered, and dissociation energies (${\Delta}E_D$) were calculated both with and without basis set superposition error (BSSE). Two types of counterpoise (CP) approach were investigated in this work, but the ${\Delta}E_D$ values corrected by using the function CP (fCP) correction exhibited an unusual trend in some cases due to deformation of the sub-units. This problem was solved by including geometry relaxation in the CP-corrected (GCP) interaction energy. On the other hand, the effects of the BSSE on the structures were very small when the complexes were re-optimized on the CP-corrected (RCP) potential energy surface (PES), even if the bond lengths between X and $M^+$ ($d_{{X-M}^+}$) and between $M^+$ and $I^-$ ($d_{M^+-I^-}$) were slightly lengthened. Therefore, neither the GCP nor RCP corrections made much difference to the dissociation energies.

A reverse-phase HPLC method with detection by mass spectrometry is described for the simultaneous determination of doxifluridine and its two active metabolites, 5-fluorouracil (5-FU) and 5-fluorouridine (5-FUrd), in beagle dog plasma. The optimal chromatographic separation was achieved on a Waters $Xterra^{(R)}$ $C_{18}$ column ($4.6{\times}250\;mm$ i.d., $5\;{\mu}m$ particle size) with a mobile phase of 0.1% formic acid in a mixture of 99% methanol and purified water (99:1, v/v). The developed method was validated in beagle dog plasma with a lowest limit of quantification of $0.05\;{\mu}g/mL$ for both doxifluridine and 5-FU, and $0.2\;{\mu}g/mL$ for 5-FUrd. Doxifluridine and its two metabolites were stable under the analysis conditions, and intra- and inter-day accuracies exceeded 92.87%, with a precision variability ${\leq}11.34%$ for each analyte. Additionally, the method for quantifying doxifluridine and its two metabolites, 5-FU and 5-FUrd, in beagle dog plasma was applied successfully to the analysis of pharmacokinetic samples.

New 3,7-diphenylthieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine derivatives were easily synthesized at room temperature in good yield by the oxidative cyclization of thienopyrimidinyl hydrazones with alumina-supported calcium hypochlorite ($Ca(OCl)_2/Al_2O_3$).

The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.

In this study, some novel thiosubstituted butenyne (3a-d, 7b, 15b), butadiene (4a-b, 4d, 5a, 5c, 6b, 8e, 9c, 10b, 16b, 18e) and [3]cumulene (11a-b with isomer 3a-b, 12a with isomer 13a, 14b, 17e) compounds were synthesized from the reaction of 2H-pentachloro-1,3-butadiene with thiols. The new compounds were characterized by elemental analysis, mass spectrometry, UV-vis, IR, 1H NMR, NMR ($^{13}C$ or APT) spectroscopy.

In this work, mechanical and electrical properties of graphenes (GP)/carbon nanotubes (CNTs) co-reinforced high density polyethylene (HDPE) matrix composites were studied. The microstructure, morphologies, and electric properties of the composites were evaluated by XRD, TEM, and 4-probe methods, respectively. It was found that the electric resistivity of 0.5 wt %-GP/HDPE was immeasurable, and 2.0 wt %-CNTs/HDPE showed high resistivity ($6.02{\times}10^4{\Omega}{\cdot}cm$). Meanwhile, GP (0.5 wt %)/CNTs (2.0 wt %)/HDPE showed excellent low resistivity ($3.1{\times}10^2{\Omega}{\cdot}cm$). This result indicates that the co-reinforcement systems can dramatically decrease electric resistivity of the carbon/polymer nanocomposites.

In this study, wormorm-like polymeric micelles were construted from poly(L-lactic acid)-b-poly(ethyelen glycol) (PLLA-b-PEG) block copolymers via worm-like (or cylindrical) self- assembly that consisted of a relatively long PLLA block ($M_n$ 7K Daltons) at the core and a relatively short PEG block ($M_n$ 2K Daltons) as the shell. Several cancer-targeting moieties (such as folate, cobalamin, and cyclic arginine-glycine-aspartic (RGD) peptide) were chemically coupled with the succinylated or maleimided PEG block of PLLA-b-PEG to act as a cancer cell-specific targeting ligand for breast cancer. The worm-like micelles with muplite cancer cell-specific ligands proved to be successful in recognizing different breast cancer cells at once. This has the potential to aid in cancer-specific drug delivery and to be used as an effective treatment for breast cancer.

A new hybrid thermosetting maleimido epoxy compound 4-(N-maleimidophenyl) glycidylether (N-MPGE) is prepared by reacting N-(4-hydroxyphenyl) maleimide (HPM) with Epichlorohydrin by using benzyltrimethylammonium chloride as a catalyst. The resulting compound possesses both the oxirane ring and maleimide group. The curing reaction of these maleimidophenyl glycidylether epoxy compound (N-MPGE) with amines as curing agents such as ethylendiamine (EDA), diethylentriamine (DETA) and triethylenetetramine (TETA), aminoethylpiperazine (AEP) and isophoronediamine, IPDA), are studied. Incorporation of maleimide groups in the epichlorohydrin provides cyclic imide structure and high cross-linking density to the cured resins. The cured samples exhibited good thermal stability, excellent chemical (acid/alkali/solvent) and water absorption resistance. Morphological studies by the SEM technique further confirmed the phase homogeneity net work of the cured systems.

In this work, the electrical and thermal properties of polyimide/multi-walled carbon nanotube (MWNT) nanocomposites were investigated. The polyimide/MWNT nanocomposites contained from 0 to 2.0 wt % of MWNT. The electrical properties of the polyimide films were characterized by a specific resistance measurement. The thermal properties were evaluated using thermogravimetric analysis (TGA) and a differential scanning calorimeter (DSC). It was found that the thermal properties of the polyimide nanocomposites increased with increasing MWNT content and specific resistance as well. This result indicated that the crosslinking of polyimide/MWNT nanocomposites was enhanced by good distribution of the MWNT in the polyimide resins, resulting in the increase of the electrical and thermal properties of the nanocomposites.

Nanostructured copper compounds were grown by electrochemical anodization of copper foil in aqueous NaOH under varying conditions including electrolyte concentration, reaction temperature, current density, and reaction time. Their morphology and atomic composition were investigated by using SEM, TEM, XRD, EDS and XPS. At the conditions ([NaOH] = 1 M, $20^{\circ}C$, $2\;mA\;cm^{-2}$), wire-like orthorhombic $Cu(OH)_2$ nanobundles with an average width of 100 - 300 nm and length of $10\;{\mu}m$ were synthesized with the preferential [100] growth direction. Furthermore, when the concentration decreased to 0.5 M NaOH, the 1D nanobundle structure became narrower and longer without any change in compositions or crystalline structure. Side reaction pathways appeared to compete with the 1D nanostructure formation channels: the formation of CuO nanoleaves at $50^{\circ}C$ via the sequential dehydration of $Cu(OH)_2$, CuO/$Cu_2O$ aggregates in 4 M NaOH, and $Cu_2O$ nanoparticles and CuO nanosheets at lower current density.

Long chain dicationic ammonium salts were used successfully as phase transfer catalyst in the condensation reactions of aromatic aldehydes in water under ultrasonic irradiation for the first time. The quaternary salt having longer distance between the cation centers was more effective than the mono- and dicationic ones having short chain.

Focused electrospray (FES) deposition method is presented for matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. FES ion optics consists of two cylindrical focusing electrodes capped with a truncated conical electrode through which an electrospray emitter passes along the cylindrical axis. A spray of charged droplets is focused onto a sample well on a MALDI target plate under atmospheric pressure. The shape and size distributions of matrix crystals are visualized by scanning electron microscope and the mass spectra are obtained by time-of-flight mass spectrometry. Angiotensin II, bradykinin, and substance P are used as test samples, while $\alpha$-cyano-4-hydroxycinnamic acid and dihydroxybenzoic acid are employed as matrices. FES of a sample/matrix mixture produces fine crystal grains on a 1-3 mm spot and reproducibly yields the mass spectra with little shot-to-shot and spot-to-spot variations. Although FES greatly stabilizes the signals, the space charge due to matrix ions limits the detection sensitivity of peptides. To avoid the space charge problem, we adopted a dual FES/FES mode, which separately deposits matrix and sample by FES in sequence. The dual FES/FES mode reaches the detection sensitivity of 0.88 amol, enabling ultrasensitive of peptides by homogeneously depositing matrix and sample under atmospheric pressure.

A new approach to the use of potassium peroxodisulphate as an oxidizing reagent is proposed and applied to the case of oxidative aromatization of 1, 4-dihydropyridines with cetyltrimethylammonium peroxodisulfate, a phase transfer oxidant. We demonstrate how it is possible to increase the reactivity of potassium peroxodisulphate in the presence of phase transfer catalyst. Dealkylation in case of 4-n-alkyl/n-alkenyl was not obtained.

A $LiNi_{0.8}Co_{0.15}Al_{0.05}O_2$ (LNCAO/C) active material composite cathode was coated with carbon. The conductive carbon coating was obtained by addition of surfactant during synthesis. The addition of surfactant led to the formation of an amorphous carbon coating layer on the pristine LNCAO surface. The layer of carbon coating was clearly detected by FE-TEM analysis. In electrochemical performance, although the LNCAO/C showed similar capacity at low C-rate conditions, the rate capability was improved by the form of the carbon coating at high current discharge state. After 40 cycles of charge-discharge processes, the capacity retention of LNCAO/C was better than that of LNCAO. The carbon coating is effectively protected the surface structure of the pristine LNCAO during Li insertion-extraction.

Design and syntheses of four red phosphorescent heteroleptic cationic iridium(III) complexes containing two substituted phenylquinoxaline (pqx) or benzo[b]thiophen-2-yl-pyridin (btp) main ligands and one 2,2'-biimidazole (H2biim) ancillary ligand are reported: [$(pqx)_2$Ir(biim)]Cl (1), [$(dmpqx)_2$Ir(biim)]Cl (2), [$(dfpqx)_2$Ir(biim)]Cl (3), [$(btp)_2$Ir(biim)]Cl (4). Complex 1 showed a distorted octahedral geometry around the iridium(III) metal ion with cis metallated carbons and trans nitrogen atoms. The absorption, emission and electrochemical properties were systematically evaluated. The complexes exhibited red phosphorescence in the spectral range of 580 to 620 nm with high quantum efficiencies of 0.58 - 0.78 in both solution and solid-state at room temperature depending on the cyclometalated main ligands. The cyclic voltammetry of the complexes (1-3) showed a metal-centered irreversible oxidation in the range of 1.40 to 1.90 V as well as two quasi reversible reduction waves from -1.15 to -1.45 V attributed to the sequential addition of two electrons to the more electron accepting heterocyclic portion of two distinctive cyclometalated main ligands, whereas complex 4 showed a reversible oxidation potential at 1.24 V and irreversible reduction waves at -1.80 V.

Twenty spirodiclofen analogues have been designed and conveniently synthesized via three steps including esterification, one-pot heterocyclization, and acylation reactions. The target molecules have been identified on the basis of analytical spectra ($^1H$ NMR, $^{13}C$ NMR and ESI-MS) data. All newly synthesized compounds have been screened for their potential insecticidal and herbicidal activity by standard method. The preliminary assays indicated that some of analogues displayed moderate to good insecticidal activity against Plutella xylostella compared with spirodiclofen, and some compounds showed obvious activity against Brassica chinensis. Structure-activity relationship (SAR) is also discussed based on the experimental data.

A multiple solid-phase extraction (SPE) method was used with liquid chromatography, coupled with mass spectrometry (LC/MS), for the analysis of heterocyclic amines (HCAs) in human urine. Separation efficiencies based on the pH of the mobile phase and the types of columns were compared. An amide column showed better baseline separation and narrower HCA peak widths at pH 5.0 for the mobile phase than a $C_8$ column. Each SPE step, HLB, MCX, and HybridSPE, was optimized by controlling the pH conditions. The combined method with the three SPEs effectively removed interfering species that cause ion-suppression during HCA detection. Validation of the method, performed with SIM and SRM detection, showed correlation coefficients above 0.991 in the range 0.3 - 16.7 ng/mL. Recovery rates were 45.4 - 97.3% on the $C_8$ column and 71.8 - 101.4% on the amide column, and method detection limits were 0.11 - 0.65 ng/mL on the $C_8$ column and 0.12 - 0.48 ng/mL on the amide column. This method using multiple SPEs offers significant benefits for high-throughput determination of HCAs in urine.

Cyclocondensation of 2-aminothiophenol and aryl/heteryl aldehydes has been carried using biomimetic catalyst, $\beta$-Cyclodextrin in water and obtained 2-aryl/heteryl benzothiazoles with better to excellent yields. This biomimetic catalyzed route is simple, economic, and environmentally benign.

$TiO_2$ thin films were synthesized on carbon fibers using chemical vapor deposition. We show that these films can exhibit extraordinarily high absorption capacities of toluene vapor. Such an absorption phenomenon of toluene at room temperature was not found for other $TiO_2$ samples. Upon toluene absorption change in the color (darkening) of the film was found, indicating that these films can be used as an indicator of the existence of volatile organic compounds in the indoor environments. By X-ray Photoelectron Spectroscopy (XPS) and Scanning Electron Microscopy (SEM), a high concentration of OH species and a unique layered structure were found for the $TiO_2$ films and these could be related to their high absorption capacity of toluene.

A series of new 6-aryl-3-(3,4-dimethoxy-phenyl)-2-phenylsulfanyl-imidazo[2,1-b]-thiazole (5a-c) and 6-aryl-2-benzenesulfonyl-3-(3,4-dimethoxy-phenyl)imidazo[2,1-b]- thiazole (6a-c) have been prepared and characterized by analytical and spectral methods. The title compounds 5a-c and 6a-c were obtained by the reaction of 4-(3,4-dimethoxy-phenyl)-5-phenylsulfanyl-thiazol-2-ylamine (3) and 5-benzenesulfonyl-4-(3,4-dimethoxy -phenyl)thiazol-2-ylamine (4) with various phenacyl bromides in anhydrous ethanol. These newly synthesized compounds (5a-c and 6a-c) were screened for their anthelmintic and anti-inflammatory activities, where they have displayed better activities.

A convenient synthesis of substituted [1,2,4]-triazolo [1',2':1,2]pyrimido[6,5-b]-quinoline 4(a-i) from substituted 2-chloroquinoline-3-carbaldehyde 1(a-i) and 4H-1,2,4-triazol-3-amine 2 by using $SiO_2/K_2CO_3$ under microwave irradiation. This method affords the [1,2,4]-Triazolo [1',2':1,2]pyrimido[6,5-b]-quinoline 4(a-i) under the influence of microwave irradiation in solvent-free conditions within short span (12 - 20 min), & gaves excellent yields (89 - 95%). All the synthesized compounds were further screened for their antibacterial activities. Some of our compounds showed excellent antibacterial activities against control drugs.

A series of thiadiazole derivatives were synthesized with differently substituted benzoic acids which were cyclized to give differently substituted thiazolidin-4-one. Elemental analysis, IR, $^1H$ NMR, $^{13}C$ NMR and mass spectral data confirmed the structure of the newly synthesized compounds. The derivatives of these moieties were evaluated for antimicrobial activity. Most of the synthesized compounds showed good antimicrobial activity at 200 and $100\;{\mu}g/mL$. Compounds showed most significant antibacterial activity against gram negative test organism Escherichia coli and most significant antifungal activity against test organisms Aspergillus niger and Candida albicans. It was observed that compounds with $OCH_3$ at 3, 4 position of phenyl ring [5(a-l)] were more potent against microbes as compared to compounds having unsubstituted phenyl ring [4(a-l)].

Various dienamide derivatives were synthesized in reasonable yields from benzonitriles having an amide moiety at the ortho-position, via the sequential (i) In-mediated allylation of nitrile moiety to form an imine intermediate, (ii) intramolecular quenching of an acyl group by the imine intermediate, and (iii) a proton transfer to dienamide.

Kinetic studies on the pyridinolysis of aryl dithiocyclopentanecarboxyaltes 2 were carried out at $60.0^{\circ}C$ in acetonitrile. In the aminolysis of 2, the $\beta_X$ values were 0.5 - 0.8 with anilines, and there was no breakpoint. However, in the pyridinolysis of 2, biphasic Bronsted plots were obtained, with a change in slope from a large value ($\beta_X{\cong}0.7$) to a small value ($\beta_X{\cong}0.4$) at $pK_{a}^0$ = 5.2. This was attributed to a change in the rate-limiting step from breakdown to the formation of a zwitterionic tetrahedral intermediate, $T^{\pm}$, in the reaction path, with an increase in the basicity of the pyridine nucleophile. An obvious change in the cross-interaction constant ${\rho}_{XZ}$ from a large positive ($\rho_{XZ}$ = +1.02) value to a small negative value (${\rho}_{XZ}$ = -0.17) supports the proposed mechanistic change.

$TiO_2-ZrO_2$ was prepared with surfactant through a sol-gel method. Catalysts containing 5 - 35% $H_3PO_4$ were prepared using these oxides. Subsequently the catalytic performance of prepared catalysts was determined for liquid phase esterification of aromatic acids. $H_3PO_4/TiO_2-ZrO_2$ has been used as catalyst to synthesize various novel esters by esterification of some aromatic acids with aliphatic alcohols (2-propanol, 1-butanol, iso butanol, 3-pentanol, 1-hexanol, heptanol, cyclo heptanol, octanol and decanol). Under optimized conditions, maximum yields and selectivity (100%) to the corresponding ester, was obtained by using 25 wt % $H_3PO_4/TiO_2-ZrO_2$ as catalyst. The Catalyst can be easily recycled after reaction and can be reused without any significant loss of activity/selectivity performance. No by-product formation, high yields, short reaction times, mild reaction conditions, operational simplicity with reusability of the catalyst are the salient features of the present synthetic protocol. The reaction was carried out under solvent-free condition.