Uniform α-Fe₂O₃/amorphous TiO₂ core-shell nanocomposites were prepared via a hydrolysis method and α-Fe₂O₃/anatase TiO₂ core-shell nanocomposites were obtained via a post-calcination process. The structure and morphology of the products were characterized by powder X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy and scanning electron microscopy. Amorphous TiO₂ nanoparticles with diameters of ten to several tens nanometer were formed on the surface of α-Fe₂O₃ nanoparticles and the coverage density of the secondary TiO₂ nanoparticles in the composite can be controlled by varying the concentration of Ti(BuO)₄ in the ethanol solution. The visible-light photocatalytic properties of different products towards Rhodamine B(RhB) were investigated. The results show that the α-Fe₂O₃/amorphous TiO₂ exhibits a good photocatalytic property owing to the extension of the light response range to visible light and the efficient separation of photogenerated electrons and holes between α-Fe₂O₃ and amorphous TiO₂.

Magnetic Fe₃O₄@SiO₂ nanoparticles with superparamagnetic properties were prepared via a reverse microemulsion method at room temperature. The as-prepared samples were characterized by transmission electron microscopy(TEM), X-ray diffractometry(XRD), and vibrating sample magnetometry(VSM). The Fe₃O₄@SiO₂ nanopar-ticles were modified by (3-aminopropyl)triethoxysilane(APTES) and subsequently activated by glutaraldehyde(Glu). Protein A was successfully immobilized covalently onto the Glu activated Fe3O4@SiO2 nanoparticles. The adsorption capacity of the nanoparticles was determined on an ultraviolet spectrophotometer(UV) and approximately up to 203 mg/g of protein A could be uniformly immobilized onto the modified Fe₃O₄@SiO₂ magnetic beads. The core-shell of the Fe₃O₄@SiO₂ magnetic beads decorated with protein A showed a good binding capacity for the chimeric anti-EGFR monoclonal antibody(anti-EGFR mAb). The purity of the anti-EGFR mAb was analyzed by virtue of HPLC. The protein A immobilized affinity beads provided a purity of about 95.4%.

Continuous ITQ-16 and ITQ-17 films on silicon wafer were prepared in fluoride media using TEAOH as organic structure-directing agent. The proportion of polymorph C in the as-synthesized ITQ-16 and ITQ-17 films was determined via X-ray diffraction characterization. The proportion of polymorph C in the ITQ-16 and ITQ-17 films was controlled via optimizing the compositions of the reaction mixtures and reaction conditions, such as varying the Si/Ge molar ratio and adding n-propyl alcohol as a solvent in the reaction mixture. The Ge atoms in the reaction media strongly increased the crystallization of polymorph C in ITQ-16 and ITQ-17 films. Moreover, the stabilizing and buffering effect of n-propyl alcohol on crystal growth further enhanced the proportion of polymorph C in the ITQ-16 and ITQ-17 films. For potential catalytic applications, Al was incorporated into the framework of polymorph C, and a pure phase of polymorph C in Al-ITQ-17 film was achieved from the synthesis gel in the n-propyl alcohol phase.

The Rb_2.42(NH₄)_0.58(HAsO₄)(H₂AsO₄)·Te(OH)₆ crystals(denoted by RbNAsTe) crystallize in the monoc-linic system, space group P2₁/n with the following parameters: a=1.3059(5) nm, b=0.6755(3) nm, c=1.6675(6) nm, β=94.126(4)°, Z=4 and V=1.46733(10) nm³. Thermal analyses(DSC, DTA and TG) confirm the presence of the phase transition and the temperature of the decomposition. The vibrational spectroscopy study at room temperature show the presence and the independence of anionic groups, cationic groups, and give more importance to the hydrogen bonds. Raman spectra were recorded in the temperature range of 298―503 K. The temperature dependence of the Raman line shift, intensity reduction and the half width detects the phase transitions and confirms their nature. So, the phase transition at 453 K corresponds to the superprotonic-ionic conduction phase transition, and those at 483 and 491 K correspond to the decomposition of our material.

Enrichment technique has been proved to be an efficient way to make the near-infrared diffuse reflectance spectroscopy(NIRDRS) suitable for micro analysis. However, low selectivity presented by conventional enrichment methods makes the quantitative analysis easy to be affected by the coexisting components. In this study, a specific enrichment method with chemical bonding via thiol-maleimide click reaction was used to achieve the reduction of the interferences. Taking cysteine as the analyzing target, maleimide-functionalized SiO₂ nanoparticles were prepared for the enrichment of cysteine. Then determination of cysteine in aqueous solution and human serum was studied using the partial least squares model built from the NIRDRS spectra of the adsorbate. The results show that the concentration that can be quantitatively detected is as low as 2.0 μg/mL, and the correlation coefficient(R) between the reference and predicted concentration is 0.9871 for the validation samples. The recoveries are in the range of 89.5%―113.8% for human serum samples in the concentration range of 0―16.2 μg/mL.

A switchable room-temperature phosphorescence(RTP) nanosensor based on an MPA-capped Mn-doped ZnS QDs/CTAB composite system(MPA=3-mercaptopropionic acid; CTAB=cetyltrimethyl ammonium bromide; QDs=quantum dots) was established for the detection of biotin. The phosphorescence intensity of QDs/CTAB could be regularly quenched with the increase of biotin. Under optimal conditions, this method yielded two linear ranges of 2―20 μg/L and 20―140 μg/L with respective correlation coefficients of 0.993 and 0.990, as well as a detection limit of 0.93 μg/L. Therefore, the analytical potential of the proposed nanosensor was evaluated by detecting biotin in urine and biotin tablets. This approach yielded satisfactory results because of the effective elimination of background fluorescence and light scattering from the sample matrix. This approach provides a practical method for biotin detection.

Synthetic graphene composite was modified on a transducer of quartz crystal microbalance(QCM) to fabricate a gas sensor for low concentration nitrogen dioxide(NO₂) detection. The gas sensing properties of the QCM coated with SnO₂-rGO and AgNPs-SnO₂-rGO composites were investigated when exposing QCM to low NO₂ con-centration(2.05—20.5 mg/m³) atmosphere at room temperature. The sensing performances of the QCM with AgNPs-SnO₂-rGO composites were enhanced by the introduction of Ag nanoparticles, and the QCM modified with AgNPs-SnO₂-rGO composites could detect NO₂ at room temperature.

In this paper, we described the synthesis of 2-aminothiazole sublibrary containing methyl, bromo, phenyl or butylidene at 4- or/and 5-position of its core. All target compounds were evaluated for their antitumor activities against human lung cancer cell line H1299 and human glioma cell line SHG-44. Among the compounds screened, 4,5,6,7-tetrahydrobenzo[d]thiazole(26b) exhibited the most potent antitumor activities with IC₅₀ values of 4.89 and 4.03 μmol/L against the two tested cell lines, respectively. Preliminary structure-activity relationship(SAR) studies of these compound were subsequently investigated.

Fifteen novel 3-oxo-oleanolic acid esters bearing aryl substituted 1,2,3-triazolyl methyl moiety were synthesized via the method of Copper(I)-catalyzed Huisgen cycloaddition. The cytotoxicity evaluation results of these compounds against five human tumor cell lines show that most of these compounds presented potent activity and selectivity against A375-S2 and HT1080 cells. Compound 6c, with a p-NO₂ at the bezene ring, possesses the best inhibitory activity against A375-S2(IC₅₀=2.82 μmol/L) and HT1080(IC₅₀=1.69 μmol/L).

A new triterpenoid glycoside(1) and seven known triterpenoid glycosides, pseudoginsenoside RT₂(2), yesanchinoside R₂(3), vinaginsenoside R13(4), vinaginsenoside R8(5), notoginsenoside E(6), 6′′′-O-acetylginsenoside Re(7), 6″-O-acetylginsenoside Rb₁(8), were isolated from the rhizomes of Panacis majoris. The new triterpenoid glycoside was elucidated as 3-O-[β-D-glucopyranosyl-(1→2)-β-D-(6′-O-ethyl)-glucuronopyranosyl]-oleanolic acid-28-O-β-D-glucopyranoside by extensive spectroscopic and phytochemical methods. Compounds 2―8 were obtained from the plant for the first time. Compounds 3 and 4 displayed good activities against adenosine diphosphate (ADP)-induced platelet aggregation, and compounds 1, 5, 6 and 8 showed moderate activities. Compound 6 exhibited moderate antiplatelet aggregation activity induced by arachidonic acid(AA).

Employing 1,1′-binaphthyl-2,2′-diamine(BINAM) dihydrochloride as an efficient and commercially available ligand, relatively mild and highly efficient copper-catalyzed coupling reactions of imidazole with aryl and heteroaryl halides have been developed. Various N-arylimidazoles could be synthesized in moderate to excellent yields.

A series of strobilurin-1,2,4-triazole derivatives containing a furan or thiophen ring was designed and synthesized. The structures of the compounds were characterized by ¹H NMR, ¹³C NMR and HRMS spectra. The bioassays indicated that the fungicidal activities of compounds 10b(EC₅₀=14.82 mg/L) and 10c(EC₅₀=18.72 mg/L) against Cercospora arachidicola Hori in vitro were much higher than that of Azoxystrobin as control(EC₅₀=40.54 mg/L) and the fungicidal activities of compounds 10u(EC₅₀=8.66 mg/L) and 10n(EC₅₀=9.89 mg/L) against Rhizotonia cerealis in vitro were higher than that of the same control(EC₅₀=10.86 mg/L). Compounds 10b, 10c, 10n and 10k could be considered as the leading compounds for further investigation.

A facile and highly efficient method has been developed for the synthesis of unsymmetrical N-aryl-2,2-di(1H-indol-3-yl)acetamide derivatives by regioselective Friedel-Crafts alkylation of the N-aryl-2-hydroxy-2-(1H-indol-3-yl) acetamide derivatives with various indoles catalyzed by 2 mol/L H₂SO₄ at room temperature in a short reaction time, the yield was up to 94%.

Novel 3-substituted pyridothienopyrimidine derivatives have been synthesized via the reaction of 2-{7,9-dimethyl-4-oxopyrido[3′,2′:4,5]thieno[3,2-d]pyrimidin-3(4H)-yl}acetohydrazide(5) with a variety of active reagents and chemicals. Structures of the newly synthesized compounds were established based on spectral data. The resulting pyridothienopyrimidine derivatives were evaluated for their possible antimicrobial activity and some of them represent a new class of potentially antimicrobial compounds, especially compounds 9 and 18 which displayed the highest activity against Gram-positive bacteria, Gram-negative bacteria, and Fungi in MIC range of 0.12―1.95 μg/mL.

Some 1,2,5-trisubstituted benzimidazole fluorinated derivatives were designed and screened by molecular docking. Five compounds which obtained high scores were selected to synthesize. All the target products were cha-racterized by ¹H NMR, ¹³C NMR and high resolution mass spectra(HRMS) and preliminarily screened for inhibitory activity against thrombin, among which three compounds(5a, 5c and 5e) were evaluated in vitro. The results showed that compounds 5a, 5c and 5e exhibited better anticoagulant activity than argatroban. Docking simulations demon-strated that these compounds may act as candidates for further studies on thrombin inhibitors.

We reported the fabrication and doping effect of Ga-doped ZnO nanorods/electropolymerized polythio-phene(e-PT) hybrid photovoltaic(h-PV) devices. Ga-Doped ZnO nanorod array photoanode devices were fabricated via hydrothermally growing nanorods on sol-gel spin-coating ZnO seed layer, and then the nanorod array was im-mersed into a thiophene solution to yield a thin polythiophene film by electrochemically polymerization. Afterwards, a thin layer of Al was deposited on the surface of polythiophene to make an electrode for photovoltaic measurement. The ZnO nanorods with different Ga-doping contents were characterized by means of X-ray diffraction(XRD), scan-ning electron micrograph(SEM) and X-ray photoelectron spectroscopy(XPS). Photovoltaic J-V characterization was performed on the e-PT/ZnO bilayer and bulk heterojunction(BHJ) devices. Though the unsubstituted polythiophene is not an ideal polymer material for solar cells with high power conversion efficiency, it is a sound model for the study on the effect of dopant in hybrid materials. The results indicate that doping Ga can substantially improve the power conversion efficiency of the ZnO-polythiophene solar cell.

In situ attenuated total refletion-Fourier transform infrared spectroscopy(ATR-FTIR) was used to monitor and acquire spectral information on the synthesis of 4-amino-3,5-dimethyl pyrazole. Principal component analysis(PCA) was used to determine the number of principle components(PCs). The score vectors of the PCs were analysed using the simple-to-use interactive self-modelling mixture analysis(SIMPLISMA) algorithm to obtain spectral and concentration profiles for the reactants, intermediates and product. The vibrational frequencies of the intermediates were calculated via density functional theory(DFT) at the level of the B3LYP/6-311++G(d,p) basis set, and the geometrical configurations of the intermediates were simultaneously optimized. Finally, a reasonable synthesis mechanism for 4-amino-3,5-dimethyl pyrazole was determined based on the changes observed in the feature peaks. The results from the SIMPLISMA algorithm correlated well with the quantum chemistry calculations. This proved that the SIMPLISMA algorithm combined with ATR-FTIR can be used to determine the synthesis mechanism for 4-amino-3,5-dimethyl pyrazole and can even provide a new, useful method to explore dynamic synthesis reaction mechanisms.

A sensitive electrochemical sensor for determining bisphenol A(BPA) was designed. The sensor was a glassy carbon electrode modified with the surfactant cetyltrimethylammonium bromide and the ionic liquid 1-decyl-3-methylimidazolium tetrafluoroborate. The ability of the new sensor to measure BPA was investigated in cyclic voltammetry experiments. Under optimized conditions, the sensor gave a linear response range for BPA of 2.19×10⁻⁷―3.28×10⁻⁵ mol/L and a detection limit of 7.31×10⁻⁸ mol/L(S/N=3). BPA could be determined with a lower detection limit, a wider linear range, and more sensitivity using the sensor than using other electrochemical sensors or high performance liquid chromatography with UV detection. The new sensor was used to determine BPA in tap water with recoveries of 97.5%―98.7% and a relative standard deviation <2.9%. The results show that the sensor can be used to determine trace BPA concentrations in tap water.

Using ab initio many-body Green’s Function theory, the electronic and optical properties of pure BAs, InAs as well as B- and/or In-doped GaAs supercells were studied. The results show that the calculated quasiparticle band gaps of BAs and InAs are in agreement with the experiments. The electronic and optical absorption properties of B- and/or In-doped GaAs are very sensitive to the lattice constant models used in the calculations, which can explain the controversies in previous theoretical and experimental works. Under the lattice constant condition based on the Vegard’s Law, the reduced band gap and the redshift of the first excited state E ₀ can be observed for In _yGa_1–yAs with In concentrations(atomic fractions) ranging from 0 to 15.625%, while the band gap increase and the blueshift of state E ₀ can be realized for B _xGa_1–xAs. However, an opposite trend can be found when the lattice constant is fixed to the experimental value, i.e., In doping leads to a band gap increase and a blueshift of the E ₀ state, while B doping results in a band gap decrease and a redshift of the E ₀ state. For B _xGa_1–x–yInyAs, the values of the band gap variation and the shift of state E ₀ are well located between the B and In mono-doping cases. It is worth mentioning that B doping does not introduce new impurity states in the band gap of GaAs or In _yGa_1–yAs.

A series of 50%CuO-25%ZnO-25%Al(Zr) oxide catalysts was synthesized by a reverse co-precipitation method and characterized by XRD, N₂ adsorption-desorption, H₂-TPR, H₂-TPD and CO₂-TPD, and used as catalyst for CO₂ hydrogenation to methanol under mild conditions(200―260 °C and 1―3 MPa). Consequently, H₂-TPR ex-hibited that the dispersed CuO species increased with the zirconium content, while the H₂-TPD showed that small amount of zirconia can increase the H₂ desorption amount. As a result, Cat-2 and Cat-3 exhibited an enhanced H₂-spillover effect, the most H₂ desorption amount, which showed an optimum activity of about 7% methanol yield.

The removal of cationic dyes, methylene blue(MB) and rhodamine B(RB), and anionic dyes, methyl orange(MO) and eosin Y(EY), from aqueous solutions by adsorption using Cu₂Se nanoparticles(Cu₂SeNPs) was stu-died. The effects of the initial pH values, adsorbent doses, contact time, initial dye concentrations, salt concentrations, and operation temperatures on the adsorption capacities were investigated. The adsorption process was better fitted the Langmuir equation and pseudo-second-order kinetic model, and was spontaneous and endothermic as well. The adsorption mechanism was probably based on the electrostatic interactions and π-π interactions between Cu₂SeNPs and dyes. For an adsorbent of 0.4 g/L of Cu₂SeNPs, the adsorption capacities of 23.1(MB), 22.9(RB) and 23.9(EY) mg/g were achieved, respectively, with an initial dye concentration of 10 mg/g(pH=8 for MB and pH=4 for RB and EY) and a contact time of 120 min. The removal rate of MB was still 70.4% for Cu₂SeNPs being reused in the 5th cycle. Furthermore, the recycled Cu₂SeNPs produced from selenium nanoparticles adsorbing copper were also an ef-fective adsorbent for the removal of dyes. Cu₂SeNPs showed great potential as a new adsorbent for dyes removal due to its good stability, functionalization and reusability.

Carbon-covered tungsten carbide nanoparticles(cc-WCNPs) were prepared via a one-step solid-state reaction between W(CO)₆ and triphenylamine at 850 °C under a sealed Ar atmosphere. As novel electrocatalysts for the hydrogen evolution reaction(HER), cc-WCNPs exhibit an onset potential of–0.14 V vs. reversible hydrogen electrode(RHE) and a Tafel slope of 64.6 mV/dec in a 0.5 mol/L H₂SO₄ solution. Additionally, these cc-WCNPs catalysts also show excellent electrocatalytic stability after 1000 cycles.

The evolution behavior of the light tar fraction of tar during large bituminous coal particle pyrolysis in a fluidized bed reactor at 500―900 °C was investigated to optimize the industrial process. The coal residence time was varied from 30 s to 150 s. The crude tar obtained was distilled and separated into the light fraction and the heavy fraction through an evaporator under conditions of 280 °C and 10⁴ Pa. The light tar was subjected to GC-MS analysis, and the 300 main species in each spectrum were determined and analyzed. The experimental results showed that the evolution behavior of the light tar fraction and the heavy tar fraction presented spectacularly different variation trends with pyrolysis temperature and coal residence time. The molecular weight and number of rings per aromatic com-pound molecule contained in the light tar fraction increased with increasing pyrolysis temperature because of poly-merization. It was also observed that the amount of methyl substituents decreased with an increasing number of rings per molecule of poly-aromatic ring compounds. The chain aliphatic compound evolution was suppressed and under-went heterocyclization with increasing temperature.

The optical properties of bare and hydrogen passivated Si₂₂₀ nanoclusters(NCs) in four typical motifs(i.e., bulk-like, onion-like, bucky-diamond and icosahedral motifs) were studied via time-dependent density functional theory(TD-DFT) calculations. The calculation results show that there is a significant blue shift in the optical absorption spectra when the Si NCs are passivated with hydrogen. A strong absorption peak in the visible light region appears for the hydrogenated bulk-like, onion-like and bucky-diamond Si NCs.

The morphology dependent of migration and recombination kinetics of charge carriers in the polymer solar cell based on poly {2,7′-9,9-dioctylfluorene-alt-5-diethylhexyl-3,6-bis(5-bromothiophen-2-yl)pyrrolo[3,4-c]-pyrrole-1,4-dione}(PDPP-F) was investigated with photo-induced charge carrier extraction by linearly increasing voltage technique. The recombination coefficient of charge carriers decreased and the mobility of charge carriers increased, after the mass ratio of [6,6]-phenyl-C61-butyric acid methyl ester(PCBM) increased from 3:2 to 2:1. Meanwhile, both of them were sensitive to the applied electric field and could be together responsible for the improvement of voltage performance of polymer solar cell.

Visible-light-active Gd-N codoped porous TiO₂(Gd-N-TiO₂) photocatalyst was fabricated by an evapora-tion-induced self-assembly route using surfactants as structure-directed agents. As-prepared samples were characte-rized by X-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy(TEM), X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller(BET) method, and ultraviolet-visible absorption spec-troscopy. The results indicated that synergistic reaction occurred when codoping with Gd³⁺ and N, which enhanced the light absorption properties of TiO₂. Irregular worm-like particles with wide interparticle spaces were clearly observed by TEM. The average particle size of Gd-N-TiO₂ decreased to ca. 8 nm because co-doping inhibited the particles growth significantly. Thus, the specific surface area of Gd-N-TiO₂(198.7 m²/g) was higher than that of Degussa P25 TiO₂(50 m²/g). Gd-N-TiO₂ exhibited a high photocatalytic activity toward methyl orange degradation under UV-Vis or visible-light irradiation. The Gd-N-TiO₂ catalyst also presented a stable performance without losing activity after four successive photocatalytic experiments. The facile synthesis and excellent activity of Gd-N-TiO₂ indicated its great potential as industrial catalysts for wastewater treatment.

Thermal decomposition processes and mechanism of low-temperature grade hydrogenated acrylonitrile butadiene rubber(LTG-HNBR) composites with sodium methacrylate(NaMAA) were investigated by thermogravimetric analysis(TGA) and Fourier transform infrared spectroscopy(FTIR) coupling technology in this article. The results of TGA demonstrate that the addition of NaMAA can enhance the thermal decomposition temperature of the rubber. Moreover, it was found that the composites spent more activation energies to decompose than pure rubber by the calculations of multiply heating rate method. Time-resolved FTIR spectra show that NaMAA affects the initial decomposition of the composites. But in the following process, the composites maintained a similar behavior to the matrix. During the decomposition, PNaMAA nanostructures, in-situ generated by NaMAA, helped reduce the diffusion speed of decomposition products and thus improved the thermal stability of the composites. We believe that these findings can provide some guides to direct the applications of LTG-HNBR composites with unsaturated metal methacrylates.

The fabrication of microscale polyethylene glycol diacrylate(PEGDA) hydrogel particles was demonstrated via magnetic property ultraviolet(UV) lithography techniques, polydimethylsiloxane(PDMS) soft stamp preparation techniques and micro-nano imprint technology in this paper. The results of compositional and morphological characterizations of magnetic microparticles show that the Fe₃O₄ nanoparticles with an average diameter of 100 nm are uniformly dispersed in hydrogel. Owing to the excellent magnetism of Fe₃O₄ nanoparticles, the fabricated hydrogel microparticles with different sizes and shapes were manipulated in water via applying an external magnetic fields. Three types of motions, translation, rotation and flip, were demonstrated with the manipulator. These microscale magnetic PEGDA hydrogel particles have a great application potential in manufacturing process, micro/nanomotors, and machines.

Linen was chemically modified by oleoyl chloride(OC) and stearoyl chloride(SC) to graft fatty moieties onto fiber via ester connections. Pyridine was used as solvent. The reaction was simplified by reacting the compounds in air at 60 °C for 6 h. Fourier transform infrared spectroscopy(FTIR) and thermal gravimetric analysis were con-ducted to characterize the treated fiber. The FTIR result confirms that the fatty portions have been successfully grafted onto the fiber after the chemical modification. The thermal stability of the SC-modified linen(SCL) was simi-lar to that of the flax modified by oleoyl chloride(OCL). SCL and OCL demonstrated a temperature of 5% mass loss, which was above 200 °C and could meet the requirements of the processing conditions for most composites. The-reafter, the SCL-reinforced unsaturated polyester(UPE) composites were prepared and characterized. The composite presented a much better impact strength of 61.1 J/m and tensile modulus of 1.69 GPa than those of UPE with appli-cable thermal stability. SCL has been shown to be a promising choice as reinforcing material for composites.

A series of three-dimensional opal photonic crystals based on the polymer was synthesized and applied in the field of photo-induced birefringence. The data show that the photo-induced birefringence(PIB) of pure Sudan III film could be enhanced by increasing the thickness of azo films. When Sudan III was distributed on the three-dimensional opal photonic crystals, the photo-induced birefringence process could be modulated. In addition, the data also exhibit that the PIB processes with different pumping polarization directions are sensitive to the role of photonic crystals. The results could be beneficial to further understanding the photo-induced birefringence and utilizing the photonic crystals.