Journal of Chemistry http://www.hindawi.com The latest articles from Hindawi Publishing Corporation © 2014 , Hindawi Publishing Corporation . All rights reserved. Antioxidants in Disease and Aging Mon, 01 Sep 2014 11:03:43 +0000 http://www.hindawi.com/journals/jchem/2014/235147/ Qiusheng Zheng, Ji Li, Zhenhua Wang, and Chunming Wang Copyright © 2014 Qiusheng Zheng et al. All rights reserved. Cr(VI) Removal from Aqueous by Adsorption on Amine-Functionalized Mesoporous Silica Prepared from Silica Fume Thu, 28 Aug 2014 13:40:34 +0000 http://www.hindawi.com/journals/jchem/2014/765856/ Amino-functionalized mesoporous silica MCM-41 materials have been prepared to develop efficient adsorbents of Cr(VI) in wastewater, using silica fume as silica source. Functionalization with amino groups has been carried out by using grafting method. The materials have been characterized by means of X-ray diffraction (XRD), nitrogen (N2) adsorption-desorption, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). Adsorption potential of the material for Cr(VI) removal from aqueous solution was investigated by varying experimental conditions such as pH, initial metal concentration, and contact time. The equilibrium data were analyzed using the Langmuir and Freundlich isotherm by linear regression analysis, and the results show that the adsorption equilibrium data obeyed the Langmuir model. In addition, the kinetics analysis revealed that the overall adsorption process was successfully fitted with the pseudo-second-order kinetic model. Xitong Li, Caiyun Han, Wenjie Zhu, Wenhui Ma, Yongming Luo, Yang Zhou, Jie Yu, and Kuixian Wei Copyright © 2014 Xitong Li et al. All rights reserved. Synthesis and Preliminary Properties of Novel Poly(aryl ether)s Containing β-Naphthalene Pendant Group Thu, 28 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/353540/ Two novel poly(aryl ether)s containing β-naphthalene pendant group were synthesized and the structures of these polymers were confirmed by 1HNMR spectroscopy. The polymers exhibited good thermal stabilities with high Tg of 256°C and 274°C, respectively. The polymers are soluble in common organic solvents, such as DMAc, DMSO, CH2Cl2, and CHCl3, and can be electrospun into microfiber (1–5 µm) with lots of nanopores (<100 nm) from CHCl3 solution. These fibers showed high hydrophobicity, and the contact angle of fibers is above 120°. L. Wang, D. Tao, X. Z. Xiang, and G. M. Zhu Copyright © 2014 L. Wang et al. All rights reserved. Structural and Electrochemical Properties of Lithium Nickel Oxide Thin Films Wed, 27 Aug 2014 12:36:00 +0000 http://www.hindawi.com/journals/jchem/2014/824083/ LiNiO2 thin films were fabricated by RF magnetron sputtering. The microstructure of the films was determined by X-ray diffraction and field-emission scanning electron microscopy. The electrochemical properties were investigated with a battery cycler using coin-type half-cells. The LiNiO2 thin films annealed below 500°C had the surface carbonate. The results suggest that surface carbonate interrupted the Li intercalation and deintercalation during charge/discharge. Although the annealing process enhanced the crystallization of LiNiO2, the capacity did not increase. When the annealing temperature was increased to 600°C, the FeCrNiO4 oxide phase was generated and the discharge capacity decreased due to an oxygen deficiency in the LiNiO2 thin film. The ZrO2-coated LiNiO2 thin film provided an improved discharge capacity compared to bare LiNiO2 thin film suggesting that the improved electrochemical characteristic may be attributed to the inhibition of surface carbonate by ZrO2 coating layer. Gyu-bong Cho, Tae-hoon Kwon, Tae-hyun Nam, Sun-chul Huh, Byeong-keun Choi, Hyo-min Jeong, and Jung-pil Noh Copyright © 2014 Gyu-bong Cho et al. All rights reserved. Synthesis and Biological Activities of Some Novel (E)-Alpha-(methoxyimino)benzeneacetate Derivatives with Modified 1,2,4-Triazole Moiety Sun, 24 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/681364/ To find new strobilurin analogues with high activity against resistant pathogens, a series of (E)-α-(methoxyimino)benzeneacetate derivatives containing 1,2,4-triazole Schiff base side chain were designed and synthesized. Their structures were confirmed by IR, 1H NMR, and 13C NMR, ESI-HRMS, or elemental analyses. Bioassays indicated that most of the target compounds showed moderate to good fungicidal activities against Rhizoctonia solani, Botrytis cinerea Pers., Fusarium graminearum, Cotton rhizoctoniosis, and Blumeria graminis. For example, compounds 6g and 6j exhibited promising antifungal activity against Rhizoctonia solani, Botrytis cinerea Pers., and Fusarium graminearum. Compounds 6c, 6l, and 6m had higher fungicidal activities against Blumeria graminis at the concentration of 50 µg/mL; inhibitory rate is 91.41%, 92.13%, and 91.77%, respectively. Xianyou Wang, Hua Wang, Peiyun Chen, Yanping Pang, Zhilei Zhao, and Guangchen Wu Copyright © 2014 Xianyou Wang et al. All rights reserved. Preparation of Mesoporous SnO>2 by Electrostatic Self-Assembly Thu, 21 Aug 2014 13:35:09 +0000 http://www.hindawi.com/journals/jchem/2014/713573/ We report a simple and scalable strategy to synthesize mesoporous SnO2 with tin dioxide nanoparticles of 5-6 nm crystalline walls and 3-4 nm pore diameter with the assistance of as templating agent at room temperature. The samples were characterized by XRD, TEM, UV-DRS, XPS, and BET. The product has a moderately high surface area of 132 m2 g−1 and a narrow mesoporous structure with an average pore diameter of 3.5 nm. The photocatalytic activities of the mesoporous SnO2 were evaluated by the degradation of methyl orange (MO) in aqueous solution under UV light irradiation. Yang Jing, Wang Yan, and Xu Xiaowen Copyright © 2014 Yang Jing et al. All rights reserved. Synthesis and Application of One-Dimensional La(OH)3 Nanostructures: An Overview Thu, 21 Aug 2014 13:14:43 +0000 http://www.hindawi.com/journals/jchem/2014/305986/ One-dimensional (1D) semiconductor nanomaterials are of particular importance owing to their unique properties and potential applications. This review attempts to provide a comprehensive introduction of 1D La(OH)3 nanostructures including nanowires, nanoneedles, nanobelts, and nanorods. Firstly, various strategies developed to fabricate the 1D La(OH)3 nanostructures are discussed, such as precipitation and composite-hydroxide-mediated, hydrothermal, and solvothermal methods, accompanying the description of the corresponding growth mechanisms. Then, the unique properties such as novel physical properties of 1D La(OH)3 nanostructures resulting from their unique electronic structures and numerous transition modes involving the 4f shells of these ions are represented in detail. Also, the wide applications in photocatalyst, capacitors, and photoluminescence based on the unique properties are discussed. Finally, the paper ends with a summary and some perspectives on the challenges and new directions in this emerging area. Xiang Xiao, Yu Huang, and Fan Dong Copyright © 2014 Xiang Xiao et al. All rights reserved. Effect of the Diesel, Inhibitor, and CO2 Additions on the Corrosion Performance of 1018 Carbon Steel in 3% NaCl Solution Tue, 19 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/940579/ In order to determine the diesel contribution in the coadsorption process of the oil-soluble inhibitors, electrochemical impedance spectroscopy measurements have been carried out to study the performance of oil-soluble inhibitors in both presence and absence of diesel and CO2. The results showed that the presence of the oil phase provides some protection to the steel because the water-soluble fractions are capable of being adsorbed on the steel surface thereby reducing the corrosion rate. The oily phase does not contribute to the adsorption process of the inhibitor because the inhibitor is absorbed into the water-soluble fractions. The oil-soluble inhibitors are effective only when the solution is saturated with CO2. CO2 saturation causes a decrease in the pH of the solution causing both an increase of the inhibitor solubility and a better dispersion of the inhibitor into the electrolyte. J. Porcayo-Calderon, M. Casales-Diaz, L. M. Rivera-Grau, D. M. Ortega-Toledo, J. A. Ascencio-Gutierrez, and L. Martinez-Gomez Copyright © 2014 J. Porcayo-Calderon et al. All rights reserved. Fabrication of γ-Fe2O3 Nanoparticles by Solid-State Thermolysis of a Metal-Organic Framework, MIL-100(Fe), for Heavy Metal Ions Removal Mon, 18 Aug 2014 07:10:30 +0000 http://www.hindawi.com/journals/jchem/2014/546956/ Porous γ-Fe2O3 nanoparticles were prepared via a solid-state conversion process of a mesoporous iron(III) carboxylate crystal, MIL-100(Fe). First, the MIL-100(Fe) crystal that served as the template of the metal oxide was synthesized by a low-temperature (<100°C) synthesis route. Subsequently, the porous γ-Fe2O3 nanoparticles were fabricated by facile thermolysis of the MIL-100(Fe) powders via a two-step calcination treatment. The obtained γ-Fe2O3 was characterized by X-ray diffraction (XRD), N2 adsorption, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) techniques, and then used as an adsorbent for heavy metal ions removal in water treatment. This study illustrates that the metal-organic frameworks may be suitable precursors for the fabrication of metal oxides nanomaterials with large specific surface area, and the prepared porous γ-Fe2O3 exhibits a superior adsorption performance for As(V) and As(III) ions removal in water treatment. Shengtao Hei, Yan Jin, and Fumin Zhang Copyright © 2014 Shengtao Hei et al. All rights reserved. Characterization of Fatty Acid Profile of Argan Oil and Other Edible Vegetable Oils by Gas Chromatography and Discriminant Analysis Mon, 18 Aug 2014 06:31:42 +0000 http://www.hindawi.com/journals/jchem/2014/843908/ Virgin argan oil is an emergent oil that is being introduced into specialized international markets as a healthy and luxury food. In order to compare the fatty acid composition of argan oil with that of the eleven other vegetable edible oils, a combination of gas chromatography as analytical technique and multivariate discriminant analysis was applied. This analysis takes into account the conjoint effect of all the variables analyzed in the discrimination between oils and also shows the contribution of each variable to oils characterization. The model correctly classified 100% oil samples. According to the fatty acid composition, argan oil showed closest similarity firstly with sesame oil and secondly with high oleic sunflower oil. Olive oil was close to avocado oil and almond oil, followed by argan oil. Thus, similarities and differences between vegetable oils based on their fatty acid profile were established by the application of multivariate discriminant analysis. This method was proven to be a useful tool to study the relationships between oils according to the fat composition and to determine the importance of the fatty acid variables on the oils classification. Ascensión Rueda, Isabel Seiquer, Manuel Olalla, Rafael Giménez, Luis Lara, and Carmen Cabrera-Vique Copyright © 2014 Ascensión Rueda et al. All rights reserved. Preparation and Characteristics of Polyaluminium Chloride by Utilizing Fluorine-Containing Waste Acidic Mother Liquid from Clay-Brine Synthetic Cryolite Process Sun, 17 Aug 2014 12:56:32 +0000 http://www.hindawi.com/journals/jchem/2014/274126/ Clay-brine process employing activated clay, NaCl, HCl, and HF as raw materials is the primarily advanced technology to synthesize cryolite in the present industrial grade. However, plenty of byproducts of fluorine-containing waste HCl at the concentration of about 10%~12% could not be utilized comprehensively and are even hazardous to the environment. This work proposed a new two-step technology to prepare inorganic polymer flocculants polyaluminium chloride (PAC) from synthetic cryolite mother liquor. Many specific factors such as the variety of aluminide source, reaction temperature and time, reagent ratio, and manner of alkaline addition were taken into consideration and their influences on the performances of produced PAC were discussed. It was found that synthetic cryolite mother liquor could react with bauxite and calcium aluminate directly to prepare cheap PAC, with plenty amount of water insoluble CaF2 and CaSiF6 produced as well. However, once HCl was introduced into synthetic cryolite mother liquor as well as by utilizing bauxite as aluminide source and sodium aluminate as adjusting basicity agent, the resultant PAC would dissolve out higher amount of aluminum while producing little amount of water insoluble materials. The coagulation behavior of the specially produced PAC could even match the industrial grade PAC conforming to national standard. Feng-shan Zhou, Bo Hu, Bao-lin Cui, Feng-bao Liu, Fang Liu, Wei-heng Wang, Yang Liu, Rong-rong Lu, Ying-Mo Hu, Yi-he Zhang, and Jin-Guang Wu Copyright © 2014 Feng-shan Zhou et al. All rights reserved. Aluminum Dimer Containing Bulky 1,2,3-Triazolate Ligand Sun, 17 Aug 2014 11:24:06 +0000 http://www.hindawi.com/journals/jchem/2014/619196/ The first molecular aluminum 1,2,3-triazolato complex was synthesized bearing a bulky 1,2,3-triazolate ligand. Oligomers and polymers were avoided due to the bulkiness and noncoordinating nature of the substituents. The novel Al2N4 ring formed contains symmetrical Al-N bond distances unexpectedly having asymmetric Al-N-N angles of 144.55(15)° and 115.83(14)°. This asymmetry demonstrates the effect of the steric hindrance of the ligand. Issam Kobrsi Copyright © 2014 Issam Kobrsi. All rights reserved. Fused Imidazopyrazoles: Synthetic Strategies and Medicinal Applications Thu, 14 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/217596/ The current review summarizes the known synthetic routes of fused imidazopyrazoles. This review is classified into two main categories based on the type of annulations, for example, annulation of the imidazole ring onto a pyrazole scaffold or annulation of the pyrazole ring onto an imidazole scaffold. Some medicinal applications of imidazopyrazoles are mentioned. Rizk E. Khidre, Bakr F. Abdel-Wahab, and Othman Y. Alothman Copyright © 2014 Rizk E. Khidre et al. All rights reserved. Microbial Corrosion of API 5L X-70 Carbon Steel by ATCC 7757 and Consortium of Sulfate-Reducing Bacteria Wed, 13 Aug 2014 07:57:20 +0000 http://www.hindawi.com/journals/jchem/2014/130345/ Various cases of accidents involving microbiology influenced corrosion (MIC) were reported by the oil and gas industry. Sulfate reducing bacteria (SRB) have always been linked to MIC mechanisms as one of the major causes of localized corrosion problems. In this study, SRB colonies were isolated from the soil in suspected areas near the natural gas transmission pipeline in Malaysia. The effects of ATCC 7757 and consortium of isolated SRB upon corrosion on API 5L X-70 carbon steel coupon were investigated using a weight loss method, an open circuit potential method (OCP), and a potentiodynamic polarization curves method in anaerobic conditions. Scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) were then used to determine the corrosion morphology in verifying the SRB activity and corrosion products formation. Results from the study show that the corrosion rate (CR) of weight loss method for the isolated SRB is recorded as 0.2017 mm/yr compared to 0.2530 mm/yr for ATCC 7757. The Tafel plot recorded the corrosion rate of 0.3290 mm/yr for Sg. Ular SRB and 0.2500 mm/yr for Desulfovibrio vulgaris. The results showed that the consortia of isolated SRB were of comparable effects and features with the single ATCC 7757 strain. Arman Abdullah, Nordin Yahaya, Norhazilan Md Noor, and Rosilawati Mohd Rasol Copyright © 2014 Arman Abdullah et al. All rights reserved. Predicting Flash Point of Organosilicon Compounds Using Quantitative Structure Activity Relationship Approach Wed, 13 Aug 2014 07:09:59 +0000 http://www.hindawi.com/journals/jchem/2014/482341/ The flash point (FP) of a compound is the primary property used in the assessment of fire hazards for flammable liquids and is amongst the crucial information that people handling flammable liquids must possess as far as industrial safety is concerned. In this work, the FPs of 236 organosilicon compounds were collected and used to construct a quantitative structure activity relationship (QSAR) model for predicting their FPs. The CODESSA PRO software was adopted to calculate the required molecular descriptors, and 350 molecular descriptors were developed for each compound. A modified stepwise regression algorithm was applied to choose descriptors that were highly correlated with the FP of organosilicon compounds. The proposed model was a linear regression model consisting of six descriptors. This 6-descriptor model gave an value of 0.9174, value of 0.9106, and value of 0.8989. The average fitting error and the average predictive error were found to be of 10.34 K and 11.22 K, respectively, and the average fitting error in percentage and the average predictive error in percentage were found to be of 3.30 and 3.60%, respectively. Compared with the known reproducibility of FP measurement using standard test method, these predicted results were of a satisfactory precision. Chen-Peng Chen, Chan-Cheng Chen, and Hsu-Fang Chen Copyright © 2014 Chen-Peng Chen et al. All rights reserved. Galvanic Displacement of Gallium Arsenide Surface: A Simple and Low-Cost Method to Deposit Metal Nanoparticles and Films Wed, 13 Aug 2014 07:08:17 +0000 http://www.hindawi.com/journals/jchem/2014/784824/ Herein, we report galvanic displacement of metal nanoparticles and films onto single-crystalline GaAs (100) substrates, a simple and cost-effective method to fabricate highly controlled metal/semiconductor interface. A time-resolved surface analysis of Au/GaAs system was conducted and microscopic mechanism of galvanic displacement was elucidated in detail. Quantitative temporal XPS measurements of the Au/GaAs interface showed that, initially, fast Au growth was slowed down as the deposition process proceeded. This was attributed to growing oxide layer blocking hole conduction and causing quenching of the deposition process. Addition of various inorganic acids, which function as oxide etchants, was found to enhance deposition rates by effectively removing surface oxide, with HF the most effective. Various precious metals, such as Pt and Ag, could be deposited onto GaAs through galvanic displacement, which demonstrates the versatility of the method. Ngoc Duy Pham, Seok Ju Park, Jun Pil Lee, and Ilwhan Oh Copyright © 2014 Ngoc Duy Pham et al. All rights reserved. Modeling and Investigation of the Swelling Kinetics of Acrylamide-Sodium Acrylate Hydrogel Wed, 13 Aug 2014 07:05:15 +0000 http://www.hindawi.com/journals/jchem/2014/281063/ The acrylamide-sodium acrylate hydrogel was synthesized by free radical polymerization of the method of solution polymerization. Dynamic swelling tests were conducted at 25, 40, and 60°C temperatures, in order to investigate the swelling properties of the synthesized hydrogel. The results have shown that swelling content and swelling rate of the hydrogel increase with increasing the swelling water temperature. The diffusivity values changed from to  m2 s−1 over the temperature range. The activation energies were found as 3.56, 3.71, and 3.86 kJ mol−1 at 25, 40, and 60°C, respectively. The experimental drying curves obtained were fitted to a three different models, namely, Peleg’s, first-order absorption kinetic, and exponential association equation models. All the models applied provided a good agreement with the experimental data with high values of the coefficient of determination (), the least values of the reduced chi-square (), and root mean square error (RMSE). Comparing the determination of coefficient, reduced chi-square, and root mean square error values of three models, it was concluded that the exponential association equation model represents swelling characteristics better than the others. Azmi Seyhun Kipcak, Osman Ismail, Ibrahim Doymaz, and Sabriye Piskin Copyright © 2014 Azmi Seyhun Kipcak et al. All rights reserved. Investigations of the Montmorillonite and Aluminium Trihydrate Addition Effects on the Ignitability and Thermal Stability of Asphalt Wed, 06 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/847435/ By means of limiting oxygen index (LOI), cone calorimeter, and TG-DSC tests, this paper investigated the effect of unmodified montmorillonite (MMT), organically modified montmorillonite (OMMT), and aluminium trihydrate (ATH) additions on the flame retardancy for asphalt combustion. Experimental results showed that adding a small amount of montmorillonite did not significantly increase the oxygen index of the asphalt but reduced the heat release rate during asphalt combustion. TGA tests had indicated that the montmorillonite (MMT and OMMT) could suppress the release of flammable volatiles and form more asphaltenes, which hence postponed the burnout time of asphalt. Furthermore, the combination of montmorillonite (MMT and OMMT) and ATH had yielded a synergistic effect, which had further reduced the heat release rate and also increased the oxygen index of asphalt. In particular, after further addition of OMMT, the barrier layer showed less crack, leading to a significant decrease in the heat release rate as compared to the adding of ATH alone. Kai Zhu, Ke Wu, Bin Wu, and Zhiyi Huang Copyright © 2014 Kai Zhu et al. All rights reserved. The Effect of Salinity on Membrane Fouling Characteristics in an Intermittently Aerated Membrane Bioreactor Tue, 05 Aug 2014 10:58:18 +0000 http://www.hindawi.com/journals/jchem/2014/765971/ The effect of salinity on the membrane fouling characteristics was investigated in the intermittently aerated membrane bioreactor (IAMBR). Five different salinity loadings were set from 0 to 35 g·L−1 (referring to NaCl), respectively. The removal of total organic carbon (TOC) and ammonia-nitrogen (-N) was gradually decreased with increasing salinity. The variation of membrane filtration resistance, particle size distribution (PSD), extracellular polymeric substances (EPS), soluble microbial products (SMP), and relative hydrophobicity (RH) analysis revealed that salinity has a significant effect on sludge characteristics in IAMBR. The results also indicated that the membrane fouling is often caused by the integration of sludge characteristics in saline wastewater. Kang Xie, Siqing Xia, Jing Song, Jixiang Li, Liping Qiu, Jiabin Wang, and Shoubin Zhang Copyright © 2014 Kang Xie et al. All rights reserved. Polychlorinated Biphenyls in the Centralized Wastewater Treatment Plant in a Chemical Industry Zone: Source, Distribution, and Removal Tue, 05 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/352675/ Polychlorinated biphenyls (PCBs) could be dissolved in wastewater or adsorbed on particulate. The fate of PCBs in wastewater is essential to evaluate the feasibility of wastewater treatment processes and the environmental risk. Here dissolved and adsorbed concentrations of twenty concerned PCB congeners and total PCBs have been measured in the centralized wastewater treatment plant of a chemical industry zone in Zhejiang, China. It was found that the dyeing chemical processes were the main source of PCBs, which contributed more than 13.6%. The most abundant PCB was PCB-11 in the liquid and solid phase of each treatment stage, accounting for more than 60% of the total 209 PCBs. Partitioning behavior of PCBs between the dissolved and adsorbed phases suggested that Di-CBs were the dominant isomers (>70%) and more than 89.8% of them was adsorbed on the particles and sludge. The total removal efficiency of 209 PCBs was only 23.2% throughout the whole treatment process. A weak correlation was obtained between the individual PCB concentration and their log  in primary sedimentation, anaerobic hydrolysis, aerobic bioprocess stage, and the whole treatment process. Min Yao, Zhongjian Li, Xingwang Zhang, and Lecheng Lei Copyright © 2014 Min Yao et al. All rights reserved. Flavonoids Extraction from Taraxacum officinale (Dandelion): Optimisation Using Response Surface Methodology and Antioxidant Activity Mon, 04 Aug 2014 11:48:38 +0000 http://www.hindawi.com/journals/jchem/2014/956278/ The Box-Behnken design combined with response surface method was employed to optimize ultrasonic-assisted extraction of flavonoids from Taraxacum officinale. The optimized results showed that the highest extraction yield with ultrasonic-assisted extraction could reach 2.62% using 39.6% (v/v) ethanol and 59.5 : 1 (mL/g) liquid-solid ratio for 43.8 min. The crude extract was then purified by HPD-100 macroporous adsorption resin, and the flavonoids content in the purified extract increased to 54.7%. The antioxidant activity of the purified flavonoids was evaluated in vitro by scavenging capacity of ABTS or DPPH, β-carotene bleaching, and FTC test. The knowledge obtained from this study should be useful to further develop and apply this plant resource. Zongxi Sun, Ruiqiang Su, Jianwei Qiao, Zhiquan Zhao, and Xinsheng Wang Copyright © 2014 Zongxi Sun et al. All rights reserved. A Coarse-Grained Molecular Dynamics Simulation Using NAMD Package to Reveal Aggregation Profile of Phospholipids Self-Assembly in Water Mon, 04 Aug 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/273084/ The energy profile of self-assembly process of DLPE, DLPS, DOPE, DOPS, DLiPE, and DLiPS in water was investigated by a coarse-grained molecular dynamics simulation using NAMD package. The self-assembly process was initiated from random configurations. The simulation was carried out for 160 ns. This study presented proof that there were three major self-assembled arrangements which became visible for a certain duration when the simulation took place, that is, liposome, deformed liposome, and planar bilayer. The energy profile that shows plateau at the time of these structures emerge confirmed their stability therein. Our findings have highlighted the idea that liposomes and deformed liposomes are metastable phases which eventually will turn into planar bilayer, the stable one. Dwi Hudiyanti, Muhammad Radifar, Tri Joko Raharjo, Narsito Narsito, and Sri Noegrohati Copyright © 2014 Dwi Hudiyanti et al. All rights reserved. Arsenic Removal from Natural Groundwater by Electrocoagulation Using Response Surface Methodology Wed, 23 Jul 2014 09:50:21 +0000 http://www.hindawi.com/journals/jchem/2014/857625/ Contamination of natural groundwater by arsenic (As) is a serious problem that appears in some areas of Northern Central Mexico (NCM). In this research, As was removed from NCM wells groundwater by the electrocoagulation (EC) technique. Laboratory-scale arsenic electroremoval experiments were carried out at continuous flow rates between 0.25 and 1.00 L min−1 using current densities of 5, 10, and 20 A m−2. Experiments were performed under galvanostatic conditions during 5 min, at constant temperature and pH. The response surface methodology (RSM) was used for the optimization of the processing variables (flow rate and current density), response modeling, and predictions. The highest arsenic removal efficiency from underground water (99%) was achieved at low flow rates (0.25 L min−1) and high current densities (20 A m−2). The response models developed explained 93.7% variability for As removal efficiency. A. M. García-Lara, C. Montero-Ocampo, F. Equihua-Guillen, J. E. Camporredondo-Saucedo, R. Servin-Castaneda, and C. R. Muñiz-Valdes Copyright © 2014 A. M. García-Lara et al. All rights reserved. Pharmacological Activities of Sijunzi Decoction Which Are Related to Its Antioxidant Properties Wed, 23 Jul 2014 08:25:05 +0000 http://www.hindawi.com/journals/jchem/2014/278318/ This paper introduces the antioxidant constituents and pharmacological effects of Sijunzi decoction by looking up literatures in recent years. Sijunzi decoction is composed of Ginseng, Atractylodes, Tuckahoe, and Glycyrrhiza. The antioxidant ingredients of Sijunzi decoction include paeonol, dauricine, naringin, and isoliquiritigenin. The study has proved that it possesses wide pharmacological effects of anticardiovascular diseases, antinervous system disease, antidiabetes, antimetabolic syndrome, and antitumor. Research on the antioxidant components of Sijunzi decoction and their targets is a promising study area in the future. Lei Ye, Jianwei Gong, Yonghua Wang, and Xiling Sun Copyright © 2014 Lei Ye et al. All rights reserved. A Study on the Morphology of a Dispersed Particle Gel Used as a Profile Control Agent for Improved Oil Recovery Sun, 20 Jul 2014 09:07:52 +0000 http://www.hindawi.com/journals/jchem/2014/150256/ To achieve in-depth profile control of injection water and improve oil recovery, a new profile control agent, termed as dispersed particle gel (DPG), has been developed and reported. In this paper, the morphology of DPG and the factors that influence its morphology are systematically investigated using atomic force microscopy (AFM). The AFM studies show that DPG is composed of small pseudospherical particles and that their sizes can be controlled by adjusting the shearing rate, the initial polymer mass concentration, and the salinity. Dynamic light scattering (DLS) is used to study the effects of the initial polymer mass concentration, the shearing rate, the salinity, and the high-temperature aging on the particle size of DPG. The aggregation ability of DPG is explained using the DLVO theory and space stability theory. This work provides a scientific basis and technical support for the formula design of DPG and its application in the oil and gas field. Qing You, Yongchun Tang, Caili Dai, Mingwei Zhao, and Fulin Zhao Copyright © 2014 Qing You et al. All rights reserved. Thermal Decomposition of Hydrocalumite over a Temperature Range of 400–1500°C and Its Structure Reconstruction in Water Thu, 17 Jul 2014 11:25:55 +0000 http://www.hindawi.com/journals/jchem/2014/454098/ The thermal decomposition process and structure memory effect of hydrocalumite were investigated systematically for the first time over a wide temperature range of 400–1500°C. The calcined hydrocalumite samples and their rehydrated products were characterized by XRD, FT-IR, and SEM-EDX. The results show that the calcination products at temperatures ranging from 500 to 900°C are basically mayenite and lime, while one of the final products obtained by calcination at and above 1000°C is probably tricalcium aluminate (Ca3Al2O6). For the hydrocalumite samples calcined at temperatures below 1000°C, their lamellar structure can be completely recovered in deionized water at room temperature. However, the further increase of calcination temperature could impair the regeneration ability of hydrocalumite via contact with water. Upon calcination of hydrocalumite at 1000–1500°C followed by reaction with water, a stable compound tricalcium aluminate hexahydrate (Ca3Al2O6·6H2O) was produced, which is the reason why less hydrocalumite could be regenerated. Jiao Tian and Qinghai Guo Copyright © 2014 Jiao Tian and Qinghai Guo. All rights reserved. Prediction and Evaluation of the Mixture Toxicity of Twelve Phenols and Ten Anilines to the Freshwater Photobacterium Vibrio qinghaiensis sp.-Q67 Wed, 16 Jul 2014 12:10:34 +0000 http://www.hindawi.com/journals/jchem/2014/728254/ Twelve substituted phenols and ten substituted anilines were chosen to investigate if the dose addition and independent action models can be used to evaluate the mixture toxicity of phenolic and aniline derivatives (PADs). Their photobacterium toxicity to the freshwater luminescent bacterium Vibrio qinghaiensis sp.-Q67 showed that the two-parameter Weibull or Logit function could be effectively applied to describe the dose-response relationships. The joint toxicity of three equivalent-effect concentration ratio (EECR) mixtures and twelve uniform design concentration ratio (UDCR) mixtures could be well evaluated using the dose addition (DA) or the independent action (IA) model within 95% confidence intervals. Lingyun Mo, Zongqiang Zhu, Yinian Zhu, Honghu Zeng, and Yanhong Li Copyright © 2014 Lingyun Mo et al. All rights reserved. Stability of Positively Charged Nanoemulsion Formulation Containing Steroidal Drug for Effective Transdermal Application Tue, 15 Jul 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/748680/ This paper emphasizes the formation of a positively charged nanoemulsion system for steroid drugs (hydrocortisone). It is believed that positively charged nanoemulsion provides more effective penetration of the skin. Therefore in our study we focused on the incorporation of phytosphingosine which serves as a positively charged cosurfactant in the nanoemulsion system. Negatively charged nanoemulsions were formulated mainly for comparison. Freshly prepared formulations were formed with particle size less than 300 nm and showed good stability over time. The oil-in-water nanoemulsion also showed good viscosity, conductivity, and pH values. From TEM micrograph, particle size showed consistent results with the measurement using photon correlation spectroscopy. It was concluded that both positively and negatively charged nanoemulsions showed good stability and have great potential in transdermal delivery system. Though, further investigation of the drug release and drug penetration of both positively and negatively charged nanoemulsions will be studied to further prove the efficacy of nanoemulsion with hydrocortisone as a delivery system for dermal application. Stephanie Da Costa, Mahiran Basri, Norashikin Shamsudin, and Hamidon Basri Copyright © 2014 Stephanie Da Costa et al. All rights reserved. Design and Implementation of 8051 Single-Chip Microcontroller for Stationary 1.0 kW PEM Fuel Cell System Tue, 15 Jul 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/762954/ Proton exchange membrane fuel cells (PEMFCs) have attracted significant interest as a potential green energy source. However, if the performance of such systems is to be enhanced, appropriate control strategies must be applied. Accordingly, the present study proposes a sophisticated control system for a 1.0 kW PEMFC system comprising a fuel cell stack, an auxiliary power supply, a DC-DC buck converter, and a DC-AC inverter. The control system is implemented using an 8051 single-chip microcontroller and is designed to optimize the system performance and safety in both the startup phase and the long-term operation phase. The major features of the proposed control system are described and the circuit diagrams required for its implementation introduced. In addition, the touch-sensitive, intuitive human-machine interface is introduced and typical screens are presented. Finally, the electrical characteristics of the PEMFC system are briefly examined. Overall, the results confirm that the single-chip microcontroller presented in this study has significant potential for commercialization in the near future. Pei-Hsing Huang, Jenn-Kun Kuo, and Yuan-Yao Hsu Copyright © 2014 Pei-Hsing Huang et al. All rights reserved. The Preparation of Matrine Liposome and Its Antiglioma Activity Study Mon, 14 Jul 2014 00:00:00 +0000 http://www.hindawi.com/journals/jchem/2014/317320/ The aim of the study was to study the preparation of matrine liposome and its activity for resisting cells, to study the preparation of matrine liposome by orthogonal design, and to observe the inhibiting effect of matrine on glioma through MTT method, Flow Cytometer, and electron microscope. The results showed that we take the encapsulation efficiency as the index; the optimal preparation of matrine liposome is 100 mg of lecithin, 40 mg of cholesterol, phosphate buffered saline (PBS) with pH value 6.4, and 40 mg of matrine. The result of MTT testing is shown that the tested group with medium and high dosage (0.75, 1.0, 1.25 mg/L) of matrine has significant inhibiting rate to the growth of BT 325 cells. The value in tested group with medium and high dosage is up to . The methods of Flow Cytometer and electron microscope prove that matrine can inhibit the growth of BT 325 cells. Matrine is active in inhibiting brain glioma. Shao-Rong Han, Hai Gong, Yan-Ming Wang, Xiao-Yan Lv, Cong Zhang, An-Na Tong, Guang-Hui Yuan, and Bao-Yi Zhang Copyright © 2014 Shao-Rong Han et al. All rights reserved.