The wrinkling of phase-separated binary polymer blend film was studied through combining the Monte Carlo (MC) simulation for morphologies with the lattice spring model (LSM) for mechanical properties. The information of morphology and structure obtained by use of MC simulation is input to the LSM composed of a three-dimensional network of springs, which allows us to determine the wrinkling and the mechanical properties of polymer blend film, such as strain, stress, and Young’s modulus. The simulated results show that the wrinkling of phase-separated binary polymer blend film is related not only to the structure of morphology, but also to the disparity in elastic moduli between polymers of blend. Our simulation results provide fundamental insight into the relationship between morphology, wrinkling, and mechanical properties for phase-separated polymer blend films and can yield guidelines for formulating blends with the desired mechanical behavior. The wrinkling results also reveal that the stretching of the phase-separated film can form the micro-template, which has a wide application prospect.

The efficient fixation and utilization of CO₂ has been consistently pursued by chemists for decades. Although Cu-based catalysts, e.g., Cu/ZnO/Al₂O₃, have been widely used in industry for methanol synthesis from CO₂ hydrogenation (CO₂ + 3H₂→H₃COH+ H₂O), many issues on the mechanism and the kinetics remain largely uncertain. For example, the surface site for CO₂ activation and the synergetic effect between Cu and oxide have been hotly debated in literature. In the past few years, theoretical modeling on pure Cu surfaces and Cu/oxide interfaces has been utilized to provide insight into these important questions. Here we will review the recent theoretical advances on simulating this complex heterogeneous catalytic process with first principles density functional theory (DFT) calculations and kinetics modeling. The theoretical results on the mechanism and the kinetics are compared and summarized.

The application of solid state NMR (SS NMR) to the study of multiphase polymer systems is growing rapidly. This article aims to provide an overview of the current state of development of this field, paying particular attention to the study of hydrogen bonding in hydrogen-bonded polymer materials through SS NMR investigations. The effection of hydrogen bonds on the miscibility, phase separation and dynamic behavior of selected systems will also be discussed, based on work during the last 10 to 15 years.

Developing visible light responsive (VLR) TiO₂ photocatalysts is essential and attractive for the consideration of solar energy utilization. A large amount of work have shown TiO₂ modified with several nonmetal elements having VLR performance, although according to DFT calculation, Asahi denied the VLR properties of fluorine, carbon, etc. in doping TiO₂. Therefore, the origins of VLR activity desire further delicate discussion. In this mini-review, several strategies for VLR TiO₂ modification have been introduced, including N doping or B/N codoping, surface modification with sensitizing matter such as carbonaceous or other organic substances, surface alkoxyls modification via a ligand-to-metal charge transfer (LMCT) process, and enhanced dye sensitization by fluorine modification. Besides doping, there are much more approaches to fabricate VLR TiO₂ modified with nonmetal elements. However, it is still in demand to explore new methods to obtain more stable and efficient VLR TiO₂ for practical application.

G protein-coupled receptors (GPCRs) are involved in the control of every aspect of our behavior and physiology. GPCR can be involved in pathological processes as well and are linked to numerous diseases, including cardiovascular and mental disorders, retinal degeneration, cancer, and AIDS. This article reviews the methods of approaching photo-affinity labeling strategy to obtain the possible G protein-coupled receptors’s binding site.

A new kind of nonmetallic nanosensors based on surface-enhanced Raman spectroscopy (SERS) have been successfully prepared by the assembly of α-Fe₂O₃ nanoparticles (NPs) onto clean quartz surface via the cross-linker of hexamethylene diisocyanate (HDI). The resultant substrates have been characterized by electron micrographs, which show that the α-Fe₂O₃ NPs distribute on the modified surface uniformly with a monolayer or sub-monolayer structure. 4-mercaptopyridine (4-Mpy) and 2-mercaptobenzothiazole (2-MBT) molecules have been used as SERS probes to estimate the detection efficiency of the α-Fe₂O₃ thin films. The SERS experiments show that it is possible to record high quality SERS spectra from probe molecules on the α-Fe₂O₃ thin films at sub-micromolar (< 10^-6 mol/L) concentration. These results indicate that the highly ordered, uniformly roughed, highly sensitive and low-cost α-Fe₂O₃ thin films are excellent candidates for nonmetallic SERS-active nanosensors.

This study aimed at the synthesis of silica particles grafted with better-defined homopolymers and block copolymers by tandem approach. Z-functionalized S-benzyl S’-(3-trimethoxysilyl)propyltrithiocarbonate (BTPT) was used as a couplable RAFT agent to synthesize the target inorganic-organic hybrids. Simultaneous coupling reaction and RAFT process using silica particles and BTPT as raw materials efficiently afforded homopolymers grafted silica, and RAFT-synthesized macro chain transfer agents with ω-terminal trimethoxysilane moiety were utilized to mediate graft reaction to prepare silica particles grafted with di-, tri- and tetrablock copolymers comprised of polymer segments such as polystyrene, polyacrylamides and polyacrylates. When the grafted chains had molecular weights ranging between 3920 and 24800 g/mol, the molar grafting ratios, which were dependent on reaction conditions and types and compositions of grafted chains, were estimated to be in the range of 15.2–101 μmol/g, and grafted polymers usually had polydispersity indices lower than 1.3, revealing that the grafting process was almost controllable. To the best of our knowledge, this versatile tandem approach is one of the most facile techniques to prepare silica particles grafted with polymeric chains with controlled molecular weight, low polydispersity and precise composition due to its minimal reaction steps, mild conditions, straightforward synthesis and satisfactory controllability.

A photopolymerizationable mimic mussel protein structure monomer, dopamine methacrylamide (DMA), was synthesized. The photopolymerization of DMA was analysed by series real time near infrared spectroscopy (SRTIR). Dopamine methacrylamide/poly(ethylene oxide) (DMA/PEO) nanofibers were successfully prepared by electrospinning of aqueous DMA/PEO solution. Biocompatible nanofibrous membrane with good adhesion was produced by photocuring from the DMA/PEO nanofibers. The surface characterization and structure of the composite nanofibrous membrane were characterized by a scanning electron microscopy (SEM) and contact angle measurements. For identifying the potential crystalline of curing, a XRD method was used through comparing diffraction data. In the cell adhesion test we utilized the mouse fibroblast (L929) to exam the various use of the nanofibrous membrane as scaffolding materials for skin regeneration.

The well known model potential is used to investigate the vibrational properties of some Ni-based binary glassy alloys using three theoretical models. Different local field correction functions are employed to see the effect of exchange and correlation in the aforesaid properties and have been found successful.

Aluminum is the third most abundant metal in the Earth’s crust. Despite its ubiquitous nature it is present in small amount in living organisms. Aluminum toxicity has been implicated in the pathogenesis of renal distinct clinical syndromes, including progressive and fatal encephalopathy and bone diseases. In the present study, Al was selected for the analysis by complexometric method. This method was based on the formation of a red colored ternary complex by the reaction of Aluminum with Aluminon (Aurin tricarboxylic acid triammonium salt) in the presence of micellar medium. The ternary complex of Aluminum with the surfactant Triton X-100 shows a maximum absorbance at 530 nm wavelength at pH 4.0 while with the sodium dodecyl sulfate it shows a maximum absorbance at 525 nm and at pH 5.0. The reaction was proceeded by the variation in pH and concentrations of surfactants, aluminon, aluminum. Their effects on the reaction of aluminum with aluminon complex in micellar media were recorded by UV-visible spectrophotometer. The reaction was found to be extremely rapid at room temperature. The system obeys Lambert Beer’s law between 0.24 and 21.74 μg/mL concentrations with Triton X-100. The values of slope, intercept and correlation coefficients were 0.07, 0.348 and 0.989, respectively. The concentration varied between 0.24 and 24.14 μg/mL with sodium dodecyl sulfate and the values of slope, intercept and correlation coefficients were 0.029, 0.148 and 0.962, respectively. The foreign ion effect was also tested by keeping the constant concentration of metal ion and determining its concentration in the presence of different foreign ions. The method was also applied for the determination of Al(III) in pharmaceutical formulations and water samples, which showed an excellent resemblance between reported and obtained results.

The enol form of ethyl acetoacetate (EAA) displays interesting spectroscopic characteristics; this form of ethyl acetylacetate is very important in condensation reaction. In this investigation, we have studied the interactions and the complex formation constants (K_f) with nano alumina (10–20 nm) particle and alumina (mesh 135) compounds as Lewis acids in the acetonitrile solvent using absorption spectroscopy and related calculations. Furthermore, in this study we calculated the thermodynamic parameters of this reaction. The trend of reactivity of the ethyl acetoacetate (EAA) complexes toward the above Lewis acids, based on the solvent as follows: nano alumina compound>alumina compound.