A 2-dimensional gradual period photonic heterostructure possessing omnidirectional band gap in visible range made by holography

A 2-dimensional gradual period photonic heterostructure was made with holography by use of non-uniform swelling effect of dichromated gelatin during processing. In this structure, the symmetric point group of triangle lattice was debased to C_2V from C_6V. Theoretical analysis and experimental results show that omnidirectional band gap in visible range can be achieved with this kind of heterostructure made by low refractive index materials.     

Hydrolysis kinetics of silane coupling agents studied by near-infrared spectroscopy plus partial least squares model

Abstract

A method of Fourier transform near-infrared (FT-NIR) spectroscopy combined with partial least squares (PLS) model was successfully applied to investigate the hydrolysis kinetics of four kinds of silane coupling agents (phenyltriethoxysilane, vinyltriethoxysilane, 3-mercaptopropyltriethoxysilane, 3-chloropropyltriethoxysilane) in an acid-catalyzed EtOH system. The fast scanning speed and high sensitivity of the FT-NIR spectroscopy, and the powerful data processing ability of the PLS, enabled the method to quantitatively and accurately catch the fast changing H₂O concentration during the hydrolysis processes without delay, realizing the study of the fast-paced hydrolysis reactions of the silane coupling agents. The results showed that electrophilic substitution occurred in the hydrolysis reactions, which followed second-order reactions and greatly depend on the catalyst concentration and reaction temperature. The hydrolysis rate constants, activation energy, and Arrhenius Frequency factors were gained. In conclusion, the FT-NIR PLS model is a powerful tool for hydrolysis kinetics researching of the silane coupling agents.     

QSAR-based toxicity classification and prediction for single and mixed aromatic compounds

Quantitative structure-activity relationships (QSARs) based on the octanol/water partition coefficient were employed to predict acute toxicities of 36 substituted aromatic compounds and their mixtures. In this study, the model developed by Verhaar et al. was modified and used to calculate octanol/water partition coefficients of chemical mixtures. To validate the model, acute toxicities of these chemicals were measured to Vibrio fischeri in terms of EC⁵⁰. The results indicated that the obtained QSAR models could be used to predict toxicities of samples consisting of these substituted aromatic compounds, individually or in combinations. The obtained equations were proved to be robust enough by using the leave-one-out test method. By classifying these chemicals into two groups, polar and non-polar, the toxicities of chemical mixtures within each group can be predicted accurately from their calculated partition coefficients.     

Effect of Molecular Crowding on the Temperature–Pressure Stability Diagram of Ribonuclease A

FT‐IR spectroscopic and thermodynamic measurements were designed to explore the effect of a macromolecular crowder, dextran, on the temperature and pressure‐dependent phase diagram of the protein Ribonuclease A (RNase A), and we compare the experimental data with approximate theoretical predictions based on configuration entropy. Exploring the crowding effect on the pressure‐induced unfolding of proteins provides insight in protein stability and folding under cell‐like dense conditions, since pressure is a fundamental thermodynamic variable linked to molecular volume. Moreover, these studies are of relevance for understanding protein stability in deep‐sea organisms, which have to cope with pressures in the kbar range. We found that not only temperature‐induced equilibrium unfolding of RNase A, but also unfolding induced by pressure is markedly prohibited in the crowded dextran solutions, suggesting that crowded environments such as those found intracellularly, will also oppress high‐pressure protein unfolding. The FT‐IR spectroscopic measurements revealed a marked increase in unfolding pressure of 2 kbar in the presence of 30 wt % dextran. Whereas the structural changes upon thermal unfolding of the protein are not significantly influenced in the presence of the crowding agent, through stabilization by dextran the pressure‐unfolded state of the protein retains more ordered secondary structure elements, which seems to be a manifestation of the entropic destabilization of the unfolded state by crowding.     

Preparation and evaluation of a novel molecularly imprinted SPE monolithic capillary column for the determination of auramine O in shrimp

A novel method combining molecular imprinting and SPE was developed in a capillary column for the determination of auramine O in shrimp. The capillary monolithic column was prepared by UV‐initiated in situ polymerization, using auramine O as template and methacrylic acid and ethylene dimethacrylate as functional monomer and cross‐linker, respectively. The properties of the prepared capillary monolithic column were investigated under the optimized conditions coupled with HPLC, and then the morphologies of the inner polymers were characterized by SEM. The calibration curve was expressed as A = 103C + 19.8 (r = 0.9992) with a linear range of 0.25–25.0 μg/mL, and the recoveries of auramine O at different concentrations in shrimp ranged from 90.5 to 92.4% with RSDs ranging from 2.1 to 4.4%. The capacities of the molecularly imprinted polymer and nonimprinted polymer columns were 0.722 and 0.147 μg/mg, respectively, and the LOD (S/N = 3) of auramine O in shrimp was 17.85 μg/kg. Under the selected conditions, the enrichment factors obtained were higher than 70‐fold. The results indicate that the prepared molecularly imprinted capillary monolithic column was reliable and applicable to the analysis of auramine O in shrimp.