New algorithms and convergence theorems for solving variational inequalities with non-Lipschitz mappings

Numerical Algorithms - We propose and study new projection-type algorithms for solving pseudomonotone variational inequality problems in real Hilbert spaces without assuming Lipschitz continuity of...     

Preparation of silver nanoparticles on zinc oxide nanowires by photocatalytic reduction for use in surface‐enhanced Raman scattering measurements

To increase the sensitivity in surface‐enhanced Raman scattering (SERS) measurements, the high surface area of zinc oxide nanowires (ZnO NWs) was used. ZnO NWs on silicon substrates were prepared and used as substrates for further growth of silver nanoparticles (AgNPs). Ultraviolet (UV) irradiation was used to reduce silver ions to AgNPs on the ZnO wires. With proper growth conditions for both ZnO NWs and AgNPs, the substrates exhibit SERS enhancement factors greater than 10⁶. To understand the influences of the morphologies of the ZnO NWs on the growth of AgNPs, the growing time and temperature were varied. The concentration of silver nitrate and irradiation time of UV radiation were also varied. The resulting AgNPs were probed with para‐nitrothiophenol to quantify the SERS enhancements obtained from the varying conditions. The results indicate that ZnO NWs could be grown at temperatures higher than 490 °C and higher growth temperatures result in smaller diameter of the formed ZnO NWs. Also, the morphologies of ZnO NWs did not significantly alter the SERS signals. The concentration of silver nitrate affects the SERS signals significantly and the optimal concentration was found to be in the range of 10–20 mM. With irradiation times longer than 90 s, the resulting AgNPs showed similar SERS intensities. With optimized conditions, the AgNPs/ZnO substrates are highly suitable for SERS measurements with a typical enhancement factor of higher than 10⁶. Copyright © 2010 John Wiley & Sons, Ltd.     

Biofouling Potential Reductions Using a Membrane Hybrid System as a Pre-treatment to Seawater Reverse Osmosis

Biofouling on reverse osmosis (RO) membranes is the most serious problem which affects desalination process efficiency and increases operation cost. The biofouling cannot be effectively removed by the conventional pre-treatment traditionally used in desalination plants. Hybrid membrane systems coupling the adsorption and/or coagulation with low-pressure membranes can be a sustainable pre-treatment in reducing membrane fouling and at the same time improving the feed water quality to the seawater reverse osmosis. The addition of powder activated carbon (PAC) of 1.5 g/L into submerged membrane system could help to remove significant amount of both hydrophobic compounds (81.4%) and hydrophilic compounds (73.3%). When this submerged membrane adsorption hybrid system (SMAHS) was combined with FeCl(3) coagulation of 0.5 mg of Fe(3+)/L, dissolved organic carbon removal efficiency was excellent even with lower dose of PAC (0.5 g/L). Detailed microbial studies conducted with the SMAHS and the submerged membrane coagulation-adsorption hybrid system (SMCAHS) showed that these hybrid systems can significantly remove the total bacteria which contain also live cells. As a result, microbial adenosine triphosphate (ATP) as well as total ATP concentrations in treated seawater and foulants was considerably decreased. The bacteria number in feed water prior to RO reduced from 5.10E(+06) cells/mL to 3.10E(+03) cells/mL and 9.30E(+03) cells/mL after SMAHS and SMCAHS were applied as pre-treatment, respectively. These led to a significant reduction of assimilable organic carbon (AOC) by 10.1 μg/L acetate-C when SMCAHS was used as a pre-treatment after 45-h RO operation. In this study, AOC method was modified to measure the growth of bacteria in seawater by using the Pseudomonas P.60 strain.     

Rapid screening and determination of designer drugs in saliva by a nib‐assisted paper spray‐mass spectrometry and separation technique

A method for the rapid screening and determination of amphetamine‐type designer drugs in saliva by a novel nib‐assisted paper spray‐mass spectrometry procedure is described. Under optimized conditions, the limit of detections for amphetamine derivatives (model samples: o‐, m‐, p‐chloroamphetamine and o‐, m‐, p‐fluoroamphetamine, respectively) were determined to 0.1 μg/mL by the nib‐assisted paper spray‐mass spectrometry method. This method is easier and has a higher sensitivity than similar methodologies, including atmospheric pressure/matrix‐assisted laser desorption ionization mass spectrometry and electrospray‐assisted laser desorption ionization/mass spectrometry. Data obtained using more classical separation methods, including liquid chromatography and capillary electrophoresis, are also reported.     

Pharmacophore Mode lingand Virtual Screening to Design the Potential Influenza Virus Endonuclease Inhibitors

Influenza virus endonuclease is an attractive target for antiviral therapy in the treatment of influenza infection. The purpos e of this study is to design a novel antiviral agent with improved biological activities against the influenza virus endonuclease. In this study, chemical feature‐based 3D pharmacophore models were developed from 41 known influenza virus endonuclease inhibitors. The best quantitative pharmacohore model (Hypo 1), which consists of two hydrogen‐bond acceptors and two hydrophobic features, yields the highest correlation coefficient (R = 0.886). Hypo 1 was further validated by the cross validation method and the test set compounds. The application of this model for predicting the activities of 11 known influenza virus endonuclease inhibitors in the test set shows great success. The correlation coefficient of 0.942 and a cross validation of 95;% confidence level prove that this model is reliable in identifying structurally diverse compounds for influenza virus endonuclease inhibition. The most active compound (compound 1) from the training set was docked into the active site of the influenza virus endonuclease as an additional verification that the pharmacophore model is accurate. The docked conformation showed important hydrogen bond interactions between the compound and two amino acids, Lys 134 and Lys 137. After validation, this model was used to screen the NCI chemical database to identify new influenza virus endonuclease inhibitors. Our study shows that the to pranking compound out of the 10 newly identified compounds using fit value ranking has an estimated activity of 0.049 μM. These newly identified lead compounds can be further experimentally validated using in vitro techniques.     

Synthesis of Aromatic Ketones from Aromatic Compounds Using Vanadium‐Containing Mesoporous Silicates

Aromatic ketones were synthesized from aromatic compounds via liquid‐phase oxidation at 60 °C and 1 atm over vanadium‐containing MCM‐41 catalysts using a batch reactor. The catalysts were prepared by direct hydrothermal (4V‐MCM‐41) and wet impregnation (9V/MCM‐41) methods. Their physico‐chemical properties were determined with various characterization techniques. For the oxidations of all substrates in this work, 4 V‐MCM‐41 exhibits superior catalytic performance than 9 V/MCM‐41 due to its larger values of unit cell parameter, BET surface area, and vanadium dispersion as well as stronger oxidation ability of vanadium‐oxygen species. Apparently, the single site, isolated vanadium centers in 4V‐MCM‐41 possess much higher activity (based on the turnover number) than those containing more vanadium atoms in 9V/MCM‐41. In addition, the substrate activities decrease in the order of diphenylmethane > fluorene > 9,10‐dihydroanthracene > ethylbenzene ≥ 4‐nitroethylbenzene, which are attributed to their distinct molecular structures.     

Inventory models for perishable items with inventory level dependent demand rate

This paper presents inventory models for perishable items with inventory level dependent demand rate. The models with and without backlogging are studied. In the backlogging model, it is assumed that the backlogging rate is dependent on the waiting time and the amount of products already backlogged simultaneously. Two cases that holding inventory is profitable or not are studied, respectively. The smallest shelf space to ensure shortage not occur when holding inventory is not profitable is obtained. In the model without backlogging, it is assumed that the remaining stock at the end of the inventory cycle is disposed of with salvage value. The necessary and sufficient conditions for the existence and uniqueness of the optimal solution of these models are investigated. At last, some numerical examples are presented to illustrate the effectiveness of the proposed model. The model in this paper is generalization of present ones. In particularly, the model is reduced to Padmanabhan and Vrat’s when δ₁ = 0, and Dye and Ouyang’s when δ₂ = 0. If S = s and δ₂ = 0, it is Chang, Goyal and Teng’s model.     

Silica-encapsulated nanomagnetic particle as a new recoverable biocatalyst carrier

Enzymes are versatile biocatalysts with major advantages of ultrahigh reaction selectivity and specificity under mild conditions, which currently find increasing applications. However, their applications are often hampered by difficulties in recovery and recycling. As a result, we carried out detailed investigations on the synthesis and characterization of silica-encapsulated iron oxide magnetic nanoparticles of controlled dimension as an enzyme carrier. It is shown that the relatively smaller sized silica-coated magnetic nanoparticle prepared by the microemlusion technique can a carry bulky enzyme, beta-lactamase, via chemical linkages on the silica overlayer without severely blocking the enzymatic active center (which is commonly encountered in conventional solid supports). An activity study by Michalis-Menten kinetics reflects that this new type of immobilization allows enzyme isolation with accessibility as good as free enzyme. The recovery and reusability of the nanoparticle-supported enzyme upon application of magnetic separation are also demonstrated.     

2D transient filtration model for aluminum

A two-dimensional, transient mathematical model representing the behavior of a deep-bed filter was developed. The flow and mass fraction equations are solved using CFX™ commercial code. The rate equation representing the inclusion deposition and re-entrainment is incorporated into a model as a source term of the mass fraction equation. The resistance of the bed is calculated using the pressure drop calculated by the Ergun equation. The model takes into account all the major physical processes occurring during filtration. For each time step, the model calculates the inclusion concentrations remaining in the liquid and deposited on the filter media. It updates the bed porosity and bed particle size as the inclusions deposit. The model can use either an average inclusion size or a discrete inclusion size distribution. It is also possible to assign different densities to different inclusion sizes if an inclusion distribution is used.     

Widely linear and non-phase-matched optical-to-terahertz conversion on GaSe:Te crystals

We demonstrate the widely linear and broadband terahertz (THz) generation on GaSe:Te crystals by femtosecond laser pulses. It was found that the dopant, Te atoms, in GaSe crystals significantly enhances the efficiency of THz generation, and its central frequency can be tuned by varying the crystal thickness through non-phase-matched optical rectification. Moreover, the wide-ranging linearity for the optical-to-THz conversion and central-frequency-tunable THz generation promise for GaSe:Te crystals to be potential materials for high-power (>1.36 μW) THz applications.