On a new semi‐empirical electrotopological index for QSRR models

A new semi‐empirical electrotopological index, I_SET, for quantitative structure–retention relationships (QSRR) models was developed based on the refinement of the previously published semi‐empirical topological index, I_ET. We demonstrate that the values of C_i fragments that were firstly attributed from the experimental chromatographic retention and theoretical deductions have an excellent relationship with the net atomic charge of the carbon atoms. Thus, the values attributed to the vertices in the hydrogen‐suppressed graph of carbon atoms (C_i) are calculated from the correlation of the net atomic charge in each carbon atom, which is obtained from quantum chemical semi‐empirical calculations, and the C_i fragments for primary, secondary, tertiary and quaternary carbon atoms (1.0, 0.9, 0.8 and 0.7, respectively) obtained from the experimental values. This shows that I_ET encoded this quantum physical reality and that it is possible to calculate a new I_SET (the semi‐empirical electrotopological index) through the net atomic charge values obtained from a Mulliken population analysis using the semi‐empirical AM1 method and their correlation with the values attributed to the different types of carbon atoms. This demonstrates that the I_SET encodes information on the charge distribution of the solute on which dispersive and electrostatic interactions between the solute (alkanes and alkenes) and the stationary phase strongly depend. Thus, this new method can be considered as an initial step towards forthcoming QSRR/QSAR studies. Copyright © 2008 John Wiley & Sons, Ltd.     

飞秒激光脉冲作用下光学玻璃的色心和折射率变化

实验研究了近红外飞秒激光脉冲诱导重钡火石玻璃产生的色心、紫外透明和折射率变化,测量了样品在激光辐照前后的吸收光谱和折射率的变化.实验发现色心的产生伴随着折射率的改变,但色心漂白后,折射率的改变依然存在,表明色心与折射率改变的热稳定性不一致,意味着飞秒激光脉冲诱导玻璃折射率变化的机理与色心产生的机理不同.实验还观察到色心区域在紫外产生透明;色心漂白后,紫外透明消失的现象,并阐述了可能的机理和应用.     

Multiplicative degree-Kirchhoff index and number of spanning trees of a zigzag polyhex nanotube TUHC[2n, 2]

Let L_n denote the linear hexagonal chain containing n hexagons. Then identifying the opposite lateral edges of L_n in ordered way yields TUHC[2n, 2] , the zigzag polyhex nanotube, whereas identifying those of L_n in reversed way yields M_n, the hexagonal Möbius chain. In this article, we first obtain the explicit formulae of the multiplicative degree-Kirchhoff index, the Kemeny's invariant, the total number of spanning trees of TUHC[2n, 2] , respectively. Then we show that the multiplicative degree-Kirchhoff index of TUHC[2n, 2] is approximately one-third of its Gutman index. Based on these obtained results we can at last get the corresponding results for M_n.     

Analysis of the Dynamic Decomposition of Unsaturated Fatty Acids and Tocopherols in Commercial Oils During Deep Frying

The decomposition of unsaturated fatty acids and tocopherols in 10 commercial edible oils during deep frying was investigated. The dominant tocopherol in oils rich in polyunsaturated fatty acids (PUFAs) was γ-tocopherol, except for natural perilla oil (δ-tocopherol dominant), and the main tocopherol in oleic acid-rich oils was α-tocopherol. The PUFA-rich oils had higher tocopherol contents than the oleic acid-rich oils. Both the reduction rate of total unsaturated fatty acid (TUFA) and total tocopherol (TToc) were linear with frying time (t). The decomposition rate of TToc is faster than that of TUFA since the slope values obtained from fitting equations (Y?=?k t) k_TToc (1.520–14.483) were obviously larger than for k_TUFA (0.155–0.270). By establishing a dynamic decomposition index, unsaturated fatty acids and tocopherol in oils showed dynamic decomposition over multiple frying cycles. The obtained results showed that decomposition characteristics of oils are related to their fatty acid compositions.     

Tetra‐proline‐modified calix[4]arene‐bonded silica stationary phase for simultaneous reversed‐phase/hydrophilic interaction mixed‐mode chromatography

A new water‐soluble tetra‐proline‐modified calix[4]arene‐bonded silica stationary phase was prepared straightforwardly by an indirect method and characterized by elemental analysis, energy dispersive Spectrometry, solid‐state ¹³C NMR spectroscopy, Fourier‐transform infrared spectroscopy, and thermogravimetric analysis. Due to the simultaneous introduction of polar tetra‐proline and nonpolar calix[4]arene, the developed column possessing a double retention mode of reverse‐phase liquid chromatography and hydrophilic interaction liquid chromatography. A series of hydrophobic and hydrophilic test samples, including nucleosides and nucleotides, amines, monosubstituted benzenes, chiral compounds, and phenols, were used to evaluate the developed stationary phase. A rapid separation capability, high separation efficiency, and selectivity were achieved based on the multiple interactions between solutes and tetra‐proline‐modified calix[4]arene‐bonded silica stationary phase. Moreover, the developed stationary phase was further used to detect and separate hexamethylenetetramine in rice flour. All the results indicated the potential merits of the developed stationary phase for simultaneous separation of complex hydrophobic and hydrophilic samples with high selectivity.     

Nonlinear refractive index measurement of tris(acetylacetonato) manganese(III) solution

We present the results from investigations of the nonlinear refractive index and nonlinear absorption coefficient of tris(acetylacetonato)manganese(III) solution, using Z-scan technique with a low-power continuous-wave laser at 514 nm. We demonstrate that the light-induced nonlinear refractive index variation leads to strong self-focusing and self-defocusing. A pump and probe technique was used to investigate the cause of nonlinearity. Furthermore, the nonlinear absorption effect was utilized to demonstrate all optical switching.     

A study of the thermal-induced nonlinearity of Au and Ag colloids prepared by the chemical reaction method

The nonlinear optical properties of metal Au and Ag colloidal solutions prepared by the chemical reaction method were investigated by a single beam Z-scan technique. Under CW 633 nm excitation, the Au and Ag colloidal solutions exhibited a large thermal-induced refractive index n₂. At the same time, the thermo-optic coefficients dn/dT of the Au and Ag colloidal solutions were obtained. The mechanism responsible for the process of nonlinear refraction was discussed in term of laser heating effect.     

High-precision measurement system based on laser interferometer for determining alcohol concentration of liquid solution

This study develops a high-precision, non-destructive measurement technique based on a laser interferometer for determining the alcohol concentration of a liquid solution from its refractive index. The optical metrology system is employed to measure the refractive indexes of samples with known alcohol concentrations ranging from 5% to 95%. By applying regressional analysis to the experimental results, an analytical expression is derived to describe the quadratic relationship between the refractive index and the alcohol concentration. An excellent agreement is observed between the experimentally determined values of the alcohol concentration and the analytically predicted results. For an assumed laser interferometer resolution of 1 nm, the measurement resolution of the proposed metrology system is found to be at least F = 0.0025%, which is significantly better than that of typical stereometry methods (approximately 1.0%) Furthermore, it is shown that the measurement resolution improves as the alcohol concentration reduces.     

Tunable comb-filter using thermally expanded core fiber and ytterbium doped fiber and its application to multi-wavelength fiber laser

We constructed a novel tunable comb-filter by splicing a commercial Yb³⁺ doped fiber (YDF) between 2 thermally expanded core (TEC) fibers at their core-expanded ends. This structure forms an all-fiber Mach-Zehnder interferometer due to the interference between the core mode and the cladding modes of the YDF. The interference fringes shifts to the longer wavelength region as the YDF is pumped by a 980 nm laser diode (LD). We then demonstrated application of this newly proposed tunable comb-filter to a SOA-based ring laser and obtained multi-wavelength lasing. The lasing wavelengths can be also tuned by pumping the YDF in the proposed comb-filter.