Determination of odorous compounds in water by headspace solid-phase microextraction-gas chromatography-mass spectrometry

Three major odorous compounds are 2-methylisoborneol ( 2-MIB), geosmin and beta-cyclocitral, which in water were determined by coupling headspace solid-phase microextraction ( HS-SPME) with gas chromatography-mass spectrometry (GC-MS). The operating conditions of HS-SPME, such as fibre type, salt concentration, water temperature, stirring, absorption time and desorption time were studied and discussed.The highest absorption of the odorous compounds were obtained under the following operating conditions as the addition of 30% ( m/V) NaCl, stirring at 60 degrees C for 40 min, using 65 mu m polydimethyl siloxane/divinylbenzene coated fibre. After the odorous compounds had been absorbed in the fibre under the optimal conditions of HSSPME, they were desorbed at 250 degrees C and determined by GC-MS. The limits of detection for geosmin, beta-cyclocitral and 2-MIB in water were 1. 0, 1. 3, 1. 7 ng/L, and the relative standard deviations for them were 4. 9%, 8. 4%, 6. 2%,respectively. There were good linear correlation (the calibration coefficients were all above 0. 997) for the three odorous compounds in the range of 5 similar to 1000 ng/ L. Therefore, trace levels of the odorous compounds at ng/L in water could be quantified by the simple method with satisfactory result.

A new expression of hardening coefficients for fcc-crystal and calibration of the material constants

In order to describe the effect of latent hardening on the macro-plastic behavior of foc-crystal, a new expression for hardening coefficient is proposed in which there are 12 material constants, each having clear physical meaning. And a method of material constant calibration is suggested and used to determine the material constants of copper and aluminum crystal. The simulated load-elongation curves along various crystallographic orientations are comparable with the experimental ones.

Three-Dimensional Network Model And Its Parameter Calibration

A material model, whose framework is parallel spring-bundles oriented in 3-D space, is proposed. Based on a discussion of the discrete schemes and optimum discretization of the solid angles, a 3-D network cell consisted of one-dimensional components is developed with its geometrical and physical parameters calibrated. It is proved that the 3-D network model is able to exactly simulate materials with arbitrary Poisson ratio from 0 to 1/2, breaking through the limit that the previous models in the literature are only suitable for materials with Poisson ratio from 0 to 1/3. A simplified model is also proposed to realize high computation accuracy within low computation cost. Examples demonstrate that the 3-D network model has particular superiority in the simulation of short-fiber reinforced composites.

Analysis of asymmetrical cold rolling with varying coefficients of friction

In this research, asymmetrical cold rolling was produced by the difference in the coefficient of friction between rolls and sheets rather than the difference of roll radius or rotation speeds. The influence of friction coefficient ratio on the cross shear deformation, rolling pressure and torque was investigated using slab analysis. The results showed that the shear deformation zone length increased with the increase of the friction coefficient ratio. The rolling force decreased only under the condition that the friction coefficient ratio increased while the sum of the friction coefficients was held constant. As the reduction per pass was increased, the shear deformation zone length increased and the rolling force also increased. An increase of the front tension resulted in a decrease of the shear deformation zone length. An increase of back tension, however, led to an increase of the shear deformation zone length. The reduction of rolling torque for the work roll with higher surface roughness was greater than that for the work roll with lower surface roughness. (C) 2002 Elsevier Science B.V. All rights reserved.

Quantum Efficiency And Temperature Coefficients Of Gainp/Gaas Dual-Junction Solar Cell

GaInP/GaAs dual-junction solar cell with a conversion efficiency of 25.2% has been fabricated using metalorganic chemical vapor deposition (MOCVD) technique. Quantum efficiencies of the solar cell were measured within a temperature range from 25 to 160A degrees C. The results indicate that the quantum efficiencies of the subcells increase slightly with the increasing temperature. And red-shift phenomena of absorption limit for all subcells are observed by increasing the cell's work temperature, which are consistent with the viewpoint of energy gap narrowing effect. The short-circuit current density temperature coefficients dJ (sc)/dT of GaInP subcell and GaAs subcell are determined to be 8.9 and 7.4 mu A/cm(2)/A degrees C from the quantum efficiency data, respectively. And the open-circuit cell voltage temperature coefficients dV (oc)/dT calculated based on a theoretical equation are -2.4 mV/A degrees C and -2.1 mV/A degrees C for GaInP subcell and GaAs subcell.

Phase-step calibration technique based on a two-run-times-two-frame phase-shift method

A novel phase-step calibration technique is presented on the basis of a two-run-times-two-frame phase-shift method. First the symmetry factor M is defined to describe the distribution property of the distorted phase due to phase-shifter miscalibration; then the phase-step calibration technique, in which two sets of two interferograms with a straight fringe pattern are recorded and the phase step is obtained by calculating M of the wrapped phase map, is developed. With this technique, a good mirror is required, but no uniform illumination is needed and no complex mathematical operation is involved. This technique can be carried out in situ and is applicable to any phase shifter, whether linear or nonlinear. (c) 2006 Optical Society of America.

Calibration method for a photoelastic modulator with a peak retardation of less than a half-wavelength

A new calibration method for a photoelastic modulator is proposed. The calibration includes a coarse calibration and a fine calibration. In the coarse calibration, the peak retardation of the photoelastic modulator is set near 1.841 rad. In the fine calibration, the value of the zeroth Bessel function is obtained. The zeroth Bessel function is approximated as a linear equation to directly calculate the peak retardation. In experiments, the usefulness of the calibration method is verified and the calibration error is less than 0.014 rad. The calibration is immune to the intensity fluctuation of the light source and independent of the circuit parameters. The method specially suits the calibration of a photoelastic modulator with a peak retardation of less than a half-wavelength. (c) 2007 Optical Society of America.

Influence of vapor transport equilibration on the crystal quality and thermal-expansion coefficients of gamma-LiAlO2

gamma-LiAlO2 (LAO) single crystal has been grown by the Czochralski method. However, its quality was deteriorated due to lithium volatilization during the crystal growth. The full width at half maximum value drops from 116.9 to 44.2 arc sec after the LAO slice was treated by vapor transport equilibration at 1000, 1100, and 1200 degrees C/48 h in sequence. The treated slice shows higher optical transmission than the as-grown one in the measured wavelength range of 190-1900 nm, meanwhile, its absorption edge exhibits a blueshift. According to Raman spectra, the treated slice has homogeneous quality at different depths from surface to 0.01 mm. The expansion coefficient of the treated slice for a axis drops from 17.2398x10(-6)/degrees C to 16.5240x10(-6)/degrees C, and that for c axis drops from 10.7664x10(-6)/degrees C to 10.0786x10(-6)/degrees C.

Pharmacokinetics of sifuvirtide, a novel anti-HIV-1 peptide, in monkeys and its inhibitory concentration in vitro

Aim: To study the pharmacokinetics of sifuvirtide, a novel anti-human immunodeficiency virus (HIV) peptide, in monkeys and to compare the inhibitory concentrations of sifuvirtide and enfuvirtide on HIV-1-infected-cell fusion. Methods: Monkeys received 1.2 mg/kg iv or sc of sifuvirtide. An on-line solid-phase extraction procedure combined with liquid chromatography tandem mass spectrometry (SPELC/MS/MS) was established and applied to determine the concentration of sifuvirtide in monkey plasma. A four-I-127 iodinated peptide was used as an internal standard. Fifty percent inhibitory concentration (IC50) of sifuvirtide on cell fusion was determined by co-cultivation assay. Results: The assay was validated with good precision and accuracy. The calibration curve for sifuvirtide in plasma was linear over a range of 4.88-5000 mu g/L, with correlation coefficients above 0.9923. After iv or sc administration, the observed peak concentrations of sifuvirtide were 10626 +/- 2886 mu g/L and 528 +/- 191 mu g/L, and the terminal elimination half-lives (T,12) were 6.3 +/- 0.9 h and 5.5 +/- 1.0 h, respectively. After sc, T-max was 0.25-2 h, and the absolute bioavailability was 49% +/- 13%. Sifuvirtide inhibited the syncytium formation between HIV-1 chronically infected cells and uninfected cells with an IC50 of 0.33 mu g/L. Conclusion: An on-line SPE-LC/MS/MS approach was established for peptide pharmacokinetic studies. Sifuvirtide was rapidly absorbed subcutaneously into the blood circulation. The T-1/2 of sifuvirtide was remarkably longer than that of its analog, enfuvirtide, reported in healthy monkeys and it conferred a long-term plasma concentration level which was higher than its IC50 in vitro.

Calibration of alkenone unsaturation index with growth temperature for a lacustrine species, Chrysotila lamellosa (Haptophyceae)

Although long chain alkenones (LCKs) occur widely in lacustrine sediments, their origin is not clear. Here, we report a lacustrine source, the non-calcifying species Chrysotila lamellosa Anand (Haptophyceae), collected and isolated from an inland saline water body, Lake Xiarinur (Inner Mongolia, China). Its alketione pattern is similar to those of coastal marine strains of C lamellosa,but the relationship between U-37(K') index and culture temperature for the lacustrine species is quite different from that of the coastal species. A significant feature of the alkenones in this strain of C lamellosa is a lack of C-38 methyl alkenones, which might be used to distinguish the species from the marine haptophyte species Emiliania huxleyi and Gephyrocapsa oceanica. The higher C-38 tetraunsaturated compound abundance might be another important feature for distinguishing the C lamellosa alkenone producer from the coastal species Isochrysis galbana. This alkenone distribution pattern has been detected in many lakes, which suggests that C lamellosa or a closely related species might be a very common alkenone precursor in lacustrine systems. We examined U-37(K') and U-37(K) values for C lamellosa as a function of culture temperature in a batch culture experiment. The calibration for U-37(K') vs. culture temperature (T) was U-37(K') = 0.0011 x T-2 - 0.0157 x T + 0.1057(n = 14, r(2) = 0.99) from 10 degrees C to 22 degrees C or U-37(K') = 0.0257 x T - 0.2608(n = 9, r(2) = 0.97) from 14 degrees C to 22 degrees C. U-37(K) vs. culture temperature was U-37(K) = 0 0377 x T - 0.5992(n = 14, r(2) = 0.98) from 10 degrees C to 22 degrees C. Our experiments show that the alkenone unsaturation index (U-37(K')) is strongly controlled by culture temperature and can be used for palaeoclimate reconstruction. (C) 2007 Elsevier Ltd. All rights reserved.

Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p,p '-DDT

The octanol-air partition coefficient (K-OA) is a key descriptor of chemicals partitioning between the atmosphere and environmental organic phases. Quantitative structure-property relationships (QSPR) are necessary to model and predict KOA from molecular structures. Based on 12 quantum chemical descriptors computed by the PM3 Hamiltonian, using partial least squares (PLS) analysis, a QSPR model for logarithms of K-OA to base 10 (log K-OA) for polychlorinated naphthalenes (PCNs), chlorobenzenes and p,p'-DDT was obtained. The cross-validated Q(cum)(2) value of the model is 0.973, indicating a good predictive ability of the model. The main factors governing log K-OA of the PCNs, chlorobenzenes, and p,p'-DDT are, in order of decreasing importance, molecular size and molecular ability of donating/accepting electrons to participate in intermolecular interactions. The intermolecular dispersive interactions play a leading role in governing log K-OA. The more chlorines in PCN and chlorobenzene molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) of the molecules leads to decreasing log K-OA values, implying possible intermolecular interactions between the molecules under study and octanol molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

Quantitative relationships between molecular structures, environmental temperatures and octanol-air partition coefficients of PCDD/Fs

A concise quantitative model that incorporates information on both environmental temperature M and molecular structures, for logarithm of octanol-air partition coefficient (K-OA) to base 10 (logK(OA)) of PCDDs, was developed. Partial least squares (PLS) analysis together with 14 quantum chemical descriptors were used to develop the quantitative relationships between structures, environmental temperatures and properties (QRSETP) model. It has been validated that the obtained QRSETP model can be used to predict logK(OA) of other PCDDs. Molecular size, environmental temperature (T), q(+) (the most positive net atomic charge on hydrogen or chlorine atoms in PCDD molecules) and E-LUMO (the energy of the lowest unoccupied molecular orbital) are main factors governing logK(OA) of PCDD/Fs under study. The intermolecular dispersive interactions and thus the size of the molecules play a leading role in governing logK(OA). The more chlorines in PCDD molecules, the greater the logK(OA) values. Increasing E-LUMO values of the molecules leads to decreasing logK(OA) values, implying possible intermolecular interactions between the molecules under study and octanol molecules. Greater q(+) values results in greater intermolecular electrostatic repulsive interactions between PCDD and octanol molecules and smaller logK(OA) values. (C) 2002 Elsevier Science B.V. All rights reserved.

Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated biphenyls

Based on nine quantum chemical descriptors computed by PM3 Hamiltonian, using partial least squares analysis, a significant quantitative structure-property relationship for the logarithm of octanol-air partition coefficients (log K-OA) of polychlorinated biphenyls (PCBs) was obtained. The cross-validated Q(cum)(2) value of the model is 0.962, indicating a good predictive ability. The intermolecular dispersive interactions and thus the size of the PCB molecules play a key role in governing log K-OA. The greater the size of PCB molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) values of the PCBs leads to decreasing log K-OA values, indicating possible interactions between PCB and octanol molecules. Increasing Q(Cl)(+) (the most positive net atomic charges on a chlorine atom) and Q(C)(-) (the largest negative net atomic charge on a carbon atom) values of PCBs results in decreasing log K-OA values, implying possible intermolecular electrostatic interactions between octanol and PCB molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.