Journal of Chemistry http://www.hindawi.com The latest articles from Hindawi Publishing Corporation © 2015 , Hindawi Publishing Corporation . All rights reserved. Effect of Sand Relative Density on Response of a Laterally Loaded Pile and Sand Deformation Thu, 02 Jul 2015 12:36:51 +0000 http://www.hindawi.com/journals/jchem/2015/891212/ Two scale-model tests were separately conducted in standard Toyoura sand with relative density of 50% and 80%. The effect of sand relative density on pile-soil interaction was investigated through the response of a laterally loaded pile and the sand movement around the pile. At a displacement of 3.6 mm of the loading point, the applied loads in loose and dense sand were 4.775 N and 21.025 N, respectively, and the maximum moment and soil resistance of the pile in dense sand were over 4 times those in loose sand. However, the deflection of the pile in dense sand was less than that in loose sand; additionally, the depth of zero deflection in dense sand was also less than that in loose sand. At the same time, the maximum displacements of loose sand in the vertical profile and ground surface were over 1.5 times those of dense sand. These characteristics occurred because the relative stiffness ratio of soil and pile increased as the relative density increased, which caused the behavior of the pile in dense sand to be elastic rather than rigid. In addition, the compacted sand particles did not move as easily as the loose sand particles. Bingxiang Yuan, Rui Chen, Jun Teng, Yixian Wang, Wenwu Chen, Tao Peng, Zhongwen Feng, Yang Yu, and Jianghui Dong Copyright © 2015 Bingxiang Yuan et al. All rights reserved. Electrochemical Oxidation Using BDD Anodes Combined with Biological Aerated Filter for Biotreated Coking Wastewater Treatment Mon, 29 Jun 2015 11:25:41 +0000 http://www.hindawi.com/journals/jchem/2015/201350/ Coking wastewater is characterized by poor biodegradability and high microorganism toxicity. Thus, it is difficult to meet Grade I of Integrated Wastewater Discharge Standard of China by biological treatment technology; specifically, COD cannot meet above standard due to containing refractory organics. A novel coupling reactor, electrochemical oxidation using BDD anodes and biological aerated filter (BAF), has been developed for carbon and nitrogen removal from biotreated coking wastewater, focusing on COD, BOD5, -N, and -N removal on operation over 90 days with average effluent value of 91.3, 9.73, 0.62, and 13.34 mgL−1, respectively. Average value of BOD5/COD and BOD5/-N was enhanced from 0.05 to 0.27 and from 0.45 to 1.21 by electrochemical oxidation, respectively, with average energy consumption of 67.9 kWh kg−1 COD. In addition, the refractory organics also were evidently mineralized in the unit based on the data of the three-dimensional fluorescence spectra. Meanwhile, its effluent provided excellent substrate for biological denitrification in BAF. At hydraulic retention time (HRT) of 13.08 h, about 12 mgL−1  -N was depleted through denitrification, and it mainly occurred at top of 0.25 m height of BAF. Therefore, it is feasible to apply the coupling reactor for biotreated coking wastewater treatment and achieve desirable effluent quality. C. R. Wang, Z. F. Hou, M. R. Zhang, J. Qi, and J. Wang Copyright © 2015 C. R. Wang et al. All rights reserved. 4-Nitroaniline Degradation by TiO2 Catalyst Doping with Manganese Sun, 28 Jun 2015 10:56:08 +0000 http://www.hindawi.com/journals/jchem/2015/382376/ Stainless steel anode covered with layer film of TiO2 doped with manganese was utilized to decompose 4-nitroaniline in rectangular borosilicate glass reactor, while stainless steel mesh was chosen as cathode; the anode and cathode were connected to the direct-current power; meantime two 60 W (λmax = 365 nm) UV lamps were used as light source. The microstructures on TiO2 before and after being doped with manganese were analyzed by energy disperse X-ray (EDX) and X-ray diffraction (XRD). The performance of degradation of 4-nitroaniline was evaluated by analyzing cracking ratio of 4-nitroaniline ring, the chemical oxygen demand (COD), and total organic carbon (TOC) in remaining solution. Monitored parameters during all the photocatalytic reaction including dissolved oxygen, direct voltage, and radiation dosage of ultraviolet rays were investigated. When dissolved oxygen concentration, direct voltage, and radiation dosage of ultraviolet rays were, respectively, equivalent to 9 mg/L, 24 V, and 1200 μW/cm2, the degradation ratio of 4-nitroaniline reached maximum. The experimental results indicated that cracking ratio of 4-nitroaniline ring and the removal ratio of COD and TOC were, respectively, more than 99%, 85%, and 80% when reaction was run for 10 hours. The values of COD and TOC were, respectively, less than 16 mg/L and 8 mg/L while the experiment was finished. Kai Zheng, Tong-chao Zhang, Pin Lin, Yu-hua Han, Hong-yi Li, Ren-jie Ji, and Hai-yun Zhang Copyright © 2015 Kai Zheng et al. All rights reserved. The Feasibility of Using Near Infrared Spectroscopy for Rapid Discrimination of Aged Shiitake Mushroom (Lentinula edodes) after Long-Term Storage Sun, 28 Jun 2015 08:49:27 +0000 http://www.hindawi.com/journals/jchem/2015/692983/ Long-term storage can largely degrade the taste and quality of dried shiitake mushroom (Lentinula edodes). This paper aimed at developing a rapid method for discrimination of the regular and aged shiitake by near infrared (NIR) spectroscopic analysis and chemometrics. Regular () and aged () samples of shiitake were collected from six main producing areas in two successive years (2013 and 2014). NIR reflectance spectra (4000–12000 cm−1) were measured with finely ground powders. Different data preprocessing method including smoothing, taking second-order derivatives (D2), and standard normal variate (SNV) were investigated to reduce the unwanted spectral variations. Partial least squares discriminant analysis (PLSDA) and least squares support vector machine (LS-SVM) were used to develop classification models. The results indicate that SNV and D2 can largely enhance the classification accuracy. The best sensitivity, specificity, and accuracy of classification were 0.967, 0.953, and 0.961 obtained by SNV-LS-SVM and 0.933, 0.930, and 0.932 obtained by SNV-PLSDA, respectively. Moreover, the low model complexity and the high accuracy in predicting objects produced in different years demonstrate that the classification models had a good generalization performance. Lu Xu, Xian-Shu Fu, Chen-Bo Cai, and Yuan-Bin She Copyright © 2015 Lu Xu et al. All rights reserved. Synthesis and In Vitro Biological Evaluation of Aminonaphthoquinones and Benzo[b]phenazine-6,11-dione Derivatives as Potential Antibacterial and Antifungal Compounds Sun, 28 Jun 2015 07:32:54 +0000 http://www.hindawi.com/journals/jchem/2015/645902/ A series of 2-arylamino-3-chloro-1,4-naphthoquinone derivatives (3a–h) by the reaction of 2,3-dichloro-1,4-naphthoquinone with aryl amines (2a–h) and benzo[b]phenazine-6,11-dione derivatives (4a–c) by the treatment of 2-arylamino-3-chloro-1,4-naphthoquinone derivatives (3a–h) with sodium azide were synthesized and tested for their in vitro antibacterial and antifungal activities. The results suggest that compounds 3d and 3g had potent antifungal activity against Candida albicans (MIC = 78.12 μg/mL). All synthesized compounds (3a–h, 4a–c) possessed activity against E. faecalis with MIC values of between 312.5 and 1250 μg/mL. Benzo[b]phenazine-6,11-dione derivatives (4a–c) were mostly active against Gram-positive bacteria. The structures of the new members of the series were established on the basis of their spectral properties (IR, 1H NMR, 13C NMR, and mass spectrometry). Amaç Fatih Tuyun, Nilüfer Bayrak, Hatice Yıldırım, Nihal Onul, Emel Mataraci Kara, and Berna Ozbek Celik Copyright © 2015 Amaç Fatih Tuyun et al. All rights reserved. Low Temperature Synthesis of MnO2/Graphene Nanocomposites for Supercapacitors Sun, 28 Jun 2015 07:09:26 +0000 http://www.hindawi.com/journals/jchem/2015/629362/ MnO2/graphene nanocomposites were synthesized through a simple route in a water-reflux condenser system. The as-prepared composites were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Raman microscope, and Brunauer-Emmett-Teller surface area analysis. Capacitive properties of the synthesized composite electrodes were investigated via cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectrometry in a 0.5 M Na2SO4 electrolyte. Results show that this method can control the morphology and structure of MnO2 loaded onto the graphene sheets. Because excessive MnO2 enwrapping graphene would affect the overall conductivity, the composite prepared by lower temperature has better characteristics of supercapacitor. 60-MnO2/graphene composite (48 wt% MnO2) displays the specific capacitance as high as 350 F/g at 1000 mA/g, which is higher than that of 100-MnO2/graphene (302 F/g), and it is almost two times higher than that of MnO2 (163 F/g). Furthermore, the composite exhibits excellent long cycle life along with ~93% specific capacitance retained after 5000 cycle tests. Hao Huang, Guangren Sun, Jie Hu, and Tifeng Jiao Copyright © 2015 Hao Huang et al. All rights reserved. Analysis of the Blasting Compaction on Gravel Soil Sun, 28 Jun 2015 07:06:30 +0000 http://www.hindawi.com/journals/jchem/2015/642810/ The settlement control is critical for the safety of road based on high filled embankment. The traditional construction methods have the characteristic with less soil thickness compacted at a time. There are many advantages to compact the gravel soil with blasting. The cavity in soil is formed by blasting and its fillings to form a composite foundation for the embankment. The field data show this composite foundation can meet the requirement of loading and settlement control with less construction time. In geotechnical blasting, the high temperature due to blasting will swell the material around, so its worthy to do the coupled analysis with thermal mechanics (TM) and blasting compaction in the high filled embankment. In this paper, a 3D model is built with FLAC3D to simulate a single hole to predict the range and degree of thermal propagation. Then, the thermal strains got from the model are used to estimate the displacement of surrounding soil to predict the degree of compaction and optimize the distribution of blast holes in plan. Qingwen Li, Yuan Li, Gautam Dasgupta, Dongping Song, Lan Qiao, Liping Wang, and Jianghui Dong Copyright © 2015 Qingwen Li et al. All rights reserved. Structural Features and Synthesis of CeO2-Doped Boroaluminosilicate Oxyfluoride Transparent Glass Ceramics Sun, 28 Jun 2015 06:47:45 +0000 http://www.hindawi.com/journals/jchem/2015/597537/ This study investigated the effects of CeO2 on structure and synthesis of boroaluminosilicate transparent glass ceramics containing CaF2 nanocrystals prepared through isothermal crystallization of the melt-quenched glasses with composition 54SiO2–10B2O3–13Al2O3–14Na2O–3ZnO–2Li2O–4CaF2 doped with 0–1.2 mol% CeO2. CeO2 in polyvalent states acting as network modifier leads to disruption of the silicate network and the conversion of [BO3] to [BO4] generating the nonlinear variations in crystallization, and thermodynamic and optical features. Glass transition temperature and the crystallization temperature decrease firstly and then increase with the increase of CeO2 content. Correspondingly, the size of CaF2 nanoscale crystals and the absorption coefficient of the glass ceramics are found to pass through a maximum and then decrease with increasing CeO2 addition. Increasing CeO2 concentration and elevating treating temperature lead to red-shift of absorption edge and transparency deterioration of glass ceramics. Zhenlin Wang and Laifei Cheng Copyright © 2015 Zhenlin Wang and Laifei Cheng. All rights reserved. Chemical Interactions in Reinforced Concrete Exposed at a Tropical Marine Environment Wed, 24 Jun 2015 09:57:53 +0000 http://www.hindawi.com/journals/jchem/2015/864872/ Prediction of concrete structure behavior is complicated by diverse factors, including interaction between elements and concrete compounds, chlorides diffusion through concrete, and compounds formed by corrosion of steel reinforcement. These factors were evaluated in concrete test cylinders exposed to a tropical marine environment since 1993 (during 126 months). Electrochemical, chlorides profile, scanning electron microscope, and energy-dispersive X-ray spectrophotometry analyses were done and results compared. This suite of analytical methods accurately characterized reinforced concrete condition and generated data useful in developing prediction models of corrosion in concrete structures. José Manuel Mendoza-Rangel, Pedro Castro-Borges, Patricia Quintana-Owen, Mercedes Balancan-Zapata, and Jesús Alejandro Cabrera-Madrid Copyright © 2015 José Manuel Mendoza-Rangel et al. All rights reserved. Biotransformation of Indole to 3-Methylindole by Lysinibacillus xylanilyticus Strain MA Tue, 23 Jun 2015 12:42:18 +0000 http://www.hindawi.com/journals/jchem/2015/425329/ An indole-biotransforming strain MA was identified as Lysinibacillus xylanilyticus on the basis of the 16S rRNA gene sequencing. It transforms indole completely from the broth culture in the presence of an additional carbon source (i.e., sodium succinate). Gas-chromatography-mass spectrometry identified indole-3-acetamide, indole-3-acetic acid, and 3-methylindole as transformation products. Tryptophan-2-monooxygenase activity was detected in the crude extracts of indole-induced cells of strain MA, which confirms the formation of indole-3-acetamide from tryptophan in the degradation pathway of indole. On the basis of identified metabolites and enzyme assay, we have proposed a new transformation pathway for indole degradation. Indole was first transformed to indole-3-acetamide via tryptophan. Indole-3-acetamide was then transformed to indole-3-acetic acid that was decarboxylated to 3-methylindole. This is the first report of a 3-methylindole synthesis via the degradation pathway of indole. Pankaj Kumar Arora, Kartik Dhar, Rafael Alejandro Veloz García, and Ashutosh Sharma Copyright © 2015 Pankaj Kumar Arora et al. All rights reserved. Treatment of Wastewater by Ozone Produced in Dielectric Barrier Discharge Mon, 22 Jun 2015 11:35:35 +0000 http://www.hindawi.com/journals/jchem/2015/648162/ There is rapid diminishing of water resources in many countries due to, for example, population growth and constant reduction in fresh water supply. The sewage wastewater, industrial effluents, and municipal wastewater are directly and indiscriminately discharged into rivers and lakes and thus primarily cause water pollution in Nepal. This has increased the water crisis and also causes environmental deterioration. Therefore, the need for the development of an effective, cheap, and environmentally friendly process for the treatment of wastewater before discharging into aquatic environment has emerged. Treatment by ozone produced from dielectric barrier discharge is one of the emerging technologies for such application. The ozonation process is more effective for disinfection and degradation of organic pollutants from water. The current study describes the treatment of wastewater of selected site within Kathmandu. Results on various physicochemical and microbial parameters of the inlet and outlet samples are discussed. Our results showed slight increase in pH, decrease in chemical oxygen demand, and significant increase in dissolved oxygen after ozonation. Importantly, ozonation caused total reduction of fecal coliform. Rita Bhatta, Rachhya Kayastha, Deepak P. Subedi, and Rajendra Joshi Copyright © 2015 Rita Bhatta et al. All rights reserved. Synthesis of Some New Thiazole Derivatives and Their Biological Activity Evaluation Mon, 22 Jun 2015 07:10:39 +0000 http://www.hindawi.com/journals/jchem/2015/464379/ New 2-(4-arylpiperazine-1-yl)-N-[4-(2-(4-substituted phenyl)thiazol-4-yl)phenyl]acetamide derivatives were synthesized and evaluated for their antimicrobial and anticholinesterase activities. Acetylcholinesterase inhibitory activities of the compounds were found weak contrary to expectations. It is unlikely that antifungal activity of the compounds was found significant, especially against Candida parapsilosis. Leyla Yurttaş, Yusuf Özkay, Hülya Karaca Gençer, and Ulviye Acar Copyright © 2015 Leyla Yurttaş et al. All rights reserved. Integrated Analysis of Permeability Reduction Caused by Polymer Retention for Better Understanding Polymer Transport Sun, 21 Jun 2015 07:47:37 +0000 http://www.hindawi.com/journals/jchem/2015/291905/ Polymer retention is one of the most important factors to govern polymer propagation through porous media, determining whether successful or not. The focus of previous studies has been limited to polymer concentration loss caused by the retention; not only change in polymer concentration, but also reduction in reservoir permeability is the main issue for theoretical transport study. Due to the lack of accuracy of Langmuir isotherm describing the polymer retention mechanisms, this study proposes a new type of matching interpretation method to correlate the permeability reduction factors from experiments to permeability. In order to solve the problem of poorly matching results between estimation and observation, use of nonadsorptive constant conditionally selected in matching process was made. Based on the threshold permeability reduction factors, approximate critical permeability can be calculated to which nonadsorptive constant would be applied. Results showed significant improvements in the estimation of permeability reduction for both low and high permeability cores. In addition, effects of permeability reduction on polymer transport in field scale were analyzed using the proposed matching model. Thus, not only does this interpretation method help to evaluate prediction for accurate flow behavior, but also unwanted risk can be evaluated. ByungIn Choi, Jinsuk Choi, and Kun Sang Lee Copyright © 2015 ByungIn Choi et al. All rights reserved. Aging Mechanisms of Electrode Materials in Lithium-Ion Batteries for Electric Vehicles Sun, 21 Jun 2015 06:51:03 +0000 http://www.hindawi.com/journals/jchem/2015/104673/ Electrode material aging leads to a decrease in capacity and/or a rise in resistance of the whole cell and thus can dramatically affect the performance of lithium-ion batteries. Furthermore, the aging phenomena are extremely complicated to describe due to the coupling of various factors. In this review, we give an interpretation of capacity/power fading of electrode-oriented aging mechanisms under cycling and various storage conditions for metallic oxide-based cathodes and carbon-based anodes. For the cathode of lithium-ion batteries, the mechanical stress and strain resulting from the lithium ions insertion and extraction predominantly lead to structural disordering. Another important aging mechanism is the metal dissolution from the cathode and the subsequent deposition on the anode. For the anode, the main aging mechanisms are the loss of recyclable lithium ions caused by the formation and increasing growth of a solid electrolyte interphase (SEI) and the mechanical fatigue caused by the diffusion-induced stress on the carbon anode particles. Additionally, electrode aging largely depends on the electrochemical behaviour under cycling and storage conditions and results from both structural/morphological changes and side reactions aggravated by decomposition products and protic impurities in the electrolyte. Cheng Lin, Aihua Tang, Hao Mu, Wenwei Wang, and Chun Wang Copyright © 2015 Cheng Lin et al. All rights reserved. Significance of Theoretical Decomposition Enthalpies for Predicting Thermal Hazards Thu, 18 Jun 2015 11:37:50 +0000 http://www.hindawi.com/journals/jchem/2015/158794/ Much effort is currently put into the development of models for predicting decomposition enthalpies measured using differential scanning calorimetry (DSC). As an alternative to the purely empirical schemes reported so far, this work relies on theoretical values obtained on the basis of simple assumptions. For nitroaromatic compounds (NACs) studied in sealed sample cells, our approach proves clearly superior to previous ones. In contrast, it correlates poorly with data measured in pin-hole sample cells. Progress might be obtained through a combination of the present approach with the usual Quantitative Structure-Property Relationships (QSPR) methodologies. This work emphasizes the significance of the theoretical decomposition enthalpy as a fundamental descriptor for the prediction of DSC values. In fact, the theoretical value provides a valuable criterion to characterize thermal hazards, as a complement to experimental decomposition temperatures. Didier Mathieu Copyright © 2015 Didier Mathieu. All rights reserved. Classification and Processing Optimization of Barley Milk Production Using NIR Spectroscopy, Particle Size, and Total Dissolved Solids Analysis Tue, 16 Jun 2015 08:00:32 +0000 http://www.hindawi.com/journals/jchem/2015/896051/ Barley is a grain whose consumption has a significant nutritional benefit for human health as a very good source of dietary fibre, minerals, vitamins, and phenolic and phytic acids. Nowadays, it is more and more often used in the production of plant milk, which is used to replace cow milk in the diet by an increasing number of consumers. The aim of the study was to classify barley milk and determine the optimal processing conditions in barley milk production based on NIR spectra, particle size, and total dissolved solids analysis. Standard recipe for barley milk was used without added additives. Barley grain was ground and mixed in a blender for 15, 30, 45, and 60 seconds. The samples were filtered and particle size of the grains was determined by laser diffraction particle sizing. The plant milk was also analysed using near infrared spectroscopy (NIRS), in the range from 904 to 1699 nm. Furthermore, conductivity of each sample was determined and microphotographs were taken in order to identify the structure of fat globules and particles in the barley milk. NIR spectra, particle size distribution, and conductivity results all point to 45 seconds as the optimal blending time, since further blending results in the saturation of the samples. Jasenka Gajdoš Kljusurić, Maja Benković, and Ingrid Bauman Copyright © 2015 Jasenka Gajdoš Kljusurić et al. All rights reserved. Chemical Characteristics and Quality Assessment of Groundwater of Exploited Aquifers in Beijiao Water Source of Yinchuan, China: A Case Study for Drinking, Irrigation, and Industrial Purposes Mon, 15 Jun 2015 06:11:30 +0000 http://www.hindawi.com/journals/jchem/2015/726340/ This work is aimed at reviewing the chemical characteristics and evaluation of the quality of exploited groundwater in Beijiao water source of Yinchuan. A coupled model based on osculating value method (OVM) and entropy is proposed to determine the suitability for drinking. Besides, phreatic water and confined water are evaluated for irrigation purposes and industrial purposes, respectively. Piper diagram shows different hydrochemical characteristics between aquifers, which can be explained by the control mechanisms revealed by Gibbs diagram. Chloroalkaline indices and ions relationship indicate that reverse ion exchanges occur in different aquifers. Based on the osculating values, 96% of the phreatic water samples are fit for human consumption, and the confined water can provide quality drinking water. Most of the phreatic water samples have no sodium hazard but have magnesium hazard. All the confined water samples generate mild foaming reaction, and 93% of them are mildly corrosive for boilers. An assessment by OVM without entropy is calculated. Similar results to the coupled model demonstrate that pure OVM is also objective and valid. The simple algorithm turns multicriteria decision-making problems into an integrated index which is just as useful to water quality assessment. Hao Wu, Jie Chen, Hui Qian, and Xuedi Zhang Copyright © 2015 Hao Wu et al. All rights reserved. Chemical and Physical Quality Criteria of Bulakbaşı Stream in Turkey and Usage of Drinking, Fisheries, and Irrigation Thu, 11 Jun 2015 16:50:04 +0000 http://www.hindawi.com/journals/jchem/2015/725082/ Water quality parameters were analyzed in Bulakbaşı stream. The in situ measurements and laboratory analyses were made on water samples taken from 4 sampling points on the Bulakbaşı stream monthly. During the study, the average water temperature as 16.3°C, dissolved oxygen (DO) 12.91 mg/L, oxygen saturation (OS) 152.8%, pH 8.25, electrical conductivity (EC) 779.6 μS/cm, salinity 0.435, chloride 83.97 mg/L, calcium 56.5 mg/L, magnesium 57.1 mg/L, total hardness 391.1 mg/L CaCO3, carbonate 0 mg/L, bicarbonate 365.95 mg/L, total alkalinity 299.85 mg/L, nitrate 4.74 mg/L, nitrite 20.83 µg/L, ammonium 50.8 µg/L, ammonia 48.3 µg/L, phosphorus 77.5 µg/L, sulfate 57.6 mg/L, potassium 4.52 mg/L, copper and aluminum 0.0 µg/L, total iron 10.1 µg/L, zinc 168.2 µg/L, chromium 24 µg/L, manganese 401.7 µg/L, and cyanide 6.79 µg/L were found. According to EU, WHO, and Turkish standards, Bulakbaşı stream is not polluted and it has suitable quality with respect to drinking, aquaculture, and irrigation. Fazıl Şen and Abdullah Aksoy Copyright © 2015 Fazıl Şen and Abdullah Aksoy. All rights reserved. Encapsulated Urea-Kaolinite Nanocomposite for Controlled Release Fertilizer Formulations Thu, 11 Jun 2015 13:50:21 +0000 http://www.hindawi.com/journals/jchem/2015/237397/ Urea controlled release fertilizer (CRF) was prepared via kaolinite intercalation followed by gum arabic encapsulation in an attempt to reduce its severe losses associated with dissolution, hydrolysis, and diffusion. Following the beneficiation, the nonkaolinite fraction decreased from 39.58% to 0.36% whereas the kaolinite fraction increased from 60.42% to 99.64%. The X-ray diffractions showed that kaolinite was a major phase with FCC Bravais crystal lattice with particle sizes ranging between 14.6 nm and 92.5 nm. The particle size varied with intercalation ratios with methanol intercalated kaolinite > DMSO-kaolinite > urea-kaolinite (KPDMU). Following intercalation, SEM analysis revealed a change of order from thick compact overlapping euhedral pseudohexagonal platelets to irregular booklets which later transformed to vermiform morphology and dispersed euhedral pseudohexagonal platelets. Besides, dispersed euhedral pseudohexagonal platelets were seen to coexist with blocky-vermicular booklets. In addition, a unique brain-form agglomeration which transformed into roundish particles mart was observed after encapsulation. The nanocomposites decomposed between 48 and 600°C. Release profiles showed that 100% of urea was released in 97 hours from KPDMU while 87% was released in 150 hours from the encapsulated nanocomposite. The findings established that it is possible to use Pugu kaolinite and gum arabic biopolymer to prepare urea CRF formulations. Siafu Ibahati Sempeho, Hee Taik Kim, Egid Mubofu, Alexander Pogrebnoi, Godlisten Shao, and Askwar Hilonga Copyright © 2015 Siafu Ibahati Sempeho et al. All rights reserved. Genetic Variability in Glucosinolates in Seed of Brassica juncea: Interest in Mustard Condiment Thu, 11 Jun 2015 08:44:24 +0000 http://www.hindawi.com/journals/jchem/2015/606142/ Brassica juncea is mostly used for oil production which implies selection of genotypes with low glucosinolates level and high oil content. In contrast, condiment production needs varieties with high level in some glucosinolates including sinigrin. The genetic variability was studied mostly by molecular tools. The objectives were almost the decrease of glucosinolates level in order to use the oilcake for animal feed. The aim of this work is to study the genetic variability for different glucosinolates and their relationships with agronomical traits within a large collection of Brassica juncea genotypes for condiment uses. A collection of 190 genotypes from different origins was studied in Dijon (France). Oil content and total glucosinolates, and sinigrin and gluconapin levels were measured. Flowering and maturation durations, seed yield, and yield components were also measured. Large variability was observed between genotypes for the measured traits within the studied collection. Total glucosinolates varied twofold between extreme genotypes. Values of sinigrin content varied from 0 to more than 134 µmol·g−1. Correlations between glucosinolates traits and both phenological and agronomical characters are presented and discussed for their potential for industrial condiment uses. Othmane Merah Copyright © 2015 Othmane Merah. All rights reserved. Pressure-Transient Behavior in a Multilayered Polymer Flooding Reservoir Thu, 11 Jun 2015 07:51:13 +0000 http://www.hindawi.com/journals/jchem/2015/875068/ A new well-test model is presented for unsteady flow in multizone with crossflow layers in non-Newtonian polymer flooding reservoir by utilizing the supposition of semipermeable wall and combining it with the first approximation of layered stable flow rates, and the effects of wellbore storage and skin were considered in this model and proposed the analytical solutions in Laplace space for the cases of infinite-acting and bounded systems. Finally, the stable layer flow rates are provided for commingled system and crossflow system in late-time radial flow periods. Jianping Xu and Daolun Li Copyright © 2015 Jianping Xu and Daolun Li. All rights reserved. Synthesis and Application of Phenyl Nitrone Derivatives as Acidic and Microbial Corrosion Inhibitors Wed, 10 Jun 2015 13:46:26 +0000 http://www.hindawi.com/journals/jchem/2015/201259/ Nitrone has drawn great attention due to its wide applications as a 1,3-dipole in heterocyclic compounds synthesis and the bioactivities. With the special structure, nitrone can also be used as ligand in inorganic chemistry. Based on the current research, the nitrones are anticipated to be effective inhibitors against acidic and microbial corrosion. The aim of this work is to investigate the inhibitory action of nitrones. In this work, a series of phenyl nitrone derivatives (PN) was synthesized and used as acidic and microbial corrosion inhibitors. The results indicate that several compounds show moderate to high inhibition efficiency (IE) in 3% HCl. Accompanied with HMTA or BOZ, the IEs greatly increase, and the highest efficiency of 98.5% was obtained by using PN4 + BOZ. Investigation of the antibacterial activity against oilfield microorganism shows that the nitrone derivatives can inhibit SRB, IB, and TGB with moderate to high efficiency under 1,000 mg/L, which makes them potential to be used as bifunctional oilfield chemicals. Shijun Chen, Kang Zhao, and Gang Chen Copyright © 2015 Shijun Chen et al. All rights reserved. Rapid Analysis of Eukaryotic Bioluminescence to Assess Potential Groundwater Contamination Events Tue, 09 Jun 2015 08:10:33 +0000 http://www.hindawi.com/journals/jchem/2015/957608/ Here we present data using a bioluminescent dinoflagellate, Pyrocystis lunula, in a toxicological bioassay to rapidly assess potential instances of groundwater contamination associated with natural gas extraction. P. lunula bioluminescence can be quantified using spectrophotometry as a measurement of organismal viability, with normal bioluminescent output declining with increasing concentration(s) of aqueous toxicants. Glutaraldehyde and hydrochloric acid (HCl), components used in hydraulic fracturing and shale acidization, triggered significant toxicological responses in as little as 4 h. Conversely, P. lunula was not affected by the presence of arsenic, selenium, barium, and strontium, naturally occurring heavy metal ions potentially associated with unconventional drilling activities. If exogenous compounds, such as glutaraldehyde and HCl, are thought to have been introduced into groundwater, quantification of P. lunula bioluminescence after exposure to water samples can serve as a cost-effective detection and risk assessment tool to rapidly assess the impact of putative contamination events attributed to unconventional drilling activity. Zacariah L. Hildenbrand, Alexandra Osorio, Doug D. Carlton Jr., Brian E. Fontenot, Jayme L. Walton, Laura R. Hunt, Hyppolite Oka, Dan Hopkins, Bryan Bjorndal, and Kevin A. Schug Copyright © 2015 Zacariah L. Hildenbrand et al. All rights reserved. Amino Acids and Biogenic Amines Evolution during the Estufagem of Fortified Wines Mon, 08 Jun 2015 13:42:59 +0000 http://www.hindawi.com/journals/jchem/2015/494285/ The current study was focused on the impact of accelerated ageing (heating step) on the amino acid and biogenic amine profiles of fortified wines. In this sense, three Madeira wines from two commonly used grape varieties (one red and the other white) were analysed during the heating, at standard (45°C, 3 months) and overheating (70°C, 1 month) conditions, following a precolumn derivatization procedure using iodoacetic acid, o-phthaldialdehyde, and 2-mercaptoethanol, carried out in the injection loop prior to RP-HPLC-FLD detection. Eighteen amino acids were identified, with arginine being the most abundant. An important decrease of the amino acid levels was detected during the standard heating (up to 30%), enhanced up to 61% by the temperature increase. Cysteine, histidine, and asparagine revealed the greatest decreases at 45°C. Conversely, some amino acids, such as asparagine, slightly increased. Four biogenic amines were identified but always in trace amounts. Finally, it was observed that the accelerated ageing did not favour the biogenic amine development. The results also indicate that the heating process promotes the amino acid transformation into new ageing products. Vanda Pereira, Ana C. Pereira, Juan P. Pérez Trujillo, Juan Cacho, and José C. Marques Copyright © 2015 Vanda Pereira et al. All rights reserved. Synthesis and Evaluation of Antimicrobial Activity of Nitrones from Derivatives of Aryl-Substituted Dihydroisoquinoline Mon, 08 Jun 2015 11:39:45 +0000 http://www.hindawi.com/journals/jchem/2015/803867/ This paper describes the synthesis of a series of dihydroisoquinoline nitrones by isomerization of the corresponding oxaziridines. Nitrones 4a–c were obtained in excellent yields and high purity by a simple and effective method from the isomerization of oxaziridines. The synthesized compounds were also evaluated for their antibacterial activity against Gram-positive and Gram-negative bacteria and fungus. Mouna Bouzid, Raed Abdennabi, Mohamed Damak, and Majed Kammoun Copyright © 2015 Mouna Bouzid et al. All rights reserved. Stereoselective Separation and Acute Toxicity of Tau-Fluvalinate to Zebrafish Mon, 08 Jun 2015 08:12:16 +0000 http://www.hindawi.com/journals/jchem/2015/931908/ Tau-fluvalinate (TFLV) is one of the most potent chiral synthetic pyrethroids to control a wide range of pests in agricultural fields, especially in apiary. In this study, two stereoisomers of TFLV were fully separated by high-performance liquid chromatography (HPLC) with a semipreparative chiral column using cellulose-tris(3,5-dimethylphenylcarbamate) as chiral stationary phase and n-hexane and 2-propanol (96/4, v/v) as mobile phase at a flow rate of 2.5 mL min−1. The (+)-stereoisomer was first eluted by detecting with an optical rotation detector. After obtaining pure single stereoisomer of TFLV, acute toxicities of each isomer and TFLV standard to zebrafish were evaluated. The results showed that the (+)-stereoisomer exhibited 273.4 times higher toxicity than the (−)-stereoisomer and 6.7 times higher than TFLV standard, according to their LC50 values at 96 h after exposure. This indicates that the toxicity of TFLV mainly originates from (+)-stereoisomer. These results are very helpful to prepare single stereoisomer of chiral pesticides and evaluate their different toxicological effects to aquatic organisms. Qi Jia, Nana Xu, Pengqian Mu, Bo Wang, Shuming Yang, and Jing Qiu Copyright © 2015 Qi Jia et al. All rights reserved. Studies on the Protective Effects of Scutellarein against Neuronal Injury by Ischemia through the Analysis of Endogenous Amino Acids and Ca2+ Concentration Together with Ca2+-ATPase Activity Sun, 07 Jun 2015 16:02:21 +0000 http://www.hindawi.com/journals/jchem/2015/497842/ Scutellarin, which is extracted from the dried plant of Erigeron breviscapus, has been reported to protect the neural injury against excitotoxicity induced by ischemia. However, there are a few studies on the protective effects of scutellarein, which is the main metabolite of scutellarin in vivo. Thus, this study investigated the neuroprotective effects of scutellarein on cerebral ischemia/reperfusion in rats by bilateral common carotid artery occlusion (BCCAO) model, through the analysis of endogenous amino acids using HILIC-MS/MS, and evaluation of Ca2+ concentration together with Ca2+-ATPase activity. The results showed that scutellarein having good protective effects on cerebral ischemia/reperfusion might by decreasing the excitatory amino acids, increasing the inhibitory amino acids, lowing intracellular Ca2+ level, and improving Ca2+-ATPase activity, which suggested that scutellarein might be a promising potent agent for the therapy of ischemic cerebrovascular disease. Hao Tang, Ze-Xi Dong, Ting Gu, Nian-Guang Li, Yu-Ping Tang, Qian-Ping Shi, Jian-Ming Guo, Peng-Xuan Zhang, and Jin-Ao Duan Copyright © 2015 Hao Tang et al. All rights reserved. Cancer Discrimination Using Fourier Transform Near-Infrared Spectroscopy with Chemometric Models Sun, 07 Jun 2015 15:56:07 +0000 http://www.hindawi.com/journals/jchem/2015/619685/ Near-infrared (NIR) spectroscopy technique offers many potential advantages as tool for biomedical analysis since it enables the subtle biochemical signatures related to pathology to be detected and extracted. In conjunction with advanced chemometrics, NIR spectroscopy opens the possibility of their use in cancer diagnosis. The study focuses on the application of near-infrared (NIR) spectroscopy and classification models for discriminating colorectal cancer. A total of 107 surgical specimens and a corresponding NIR diffuse reflection spectral dataset were prepared. Three preprocessing methods were attempted and least-squares support vector machine (LS-SVM) was used to build a classification model. The hybrid preprocessing of first derivative and principal component analysis (PCA) resulted in the best LS-SVM model with the sensitivity and specificity of 0.96 and 0.96 for the training and 0.94 and 0.96 for test sets, respectively. The similarity performance on both subsets indicated that overfitting did not occur, assuring the robustness and reliability of the developed LS-SVM model. The area of receiver operating characteristic (ROC) curve was 0.99, demonstrating once again the high prediction power of the model. The result confirms the applicability of the combination of NIR spectroscopy, LS-SVM, PCA, and first derivative preprocessing for cancer diagnosis. Hui Chen, Zan Lin, and Chao Tan Copyright © 2015 Hui Chen et al. All rights reserved. Unbiased Diffusion through a Linear Porous Media with Periodic Entropy Barriers: A Tube Formed by Contacting Ellipses Sun, 07 Jun 2015 08:54:03 +0000 http://www.hindawi.com/journals/jchem/2015/986402/ This work is devoted to the study of unbiased diffusion of point-like Brownian particles through channels with radial symmetry of varying cross-section and elliptic shape. The effective one-dimensional reduction is used with distinct forms of a position-dependent diffusion coefficient, , found in literature, to obtain expressions for (I) narrow escape times from a single open-ended tube, (II) its correspondent effective diffusion coefficient, both as functions of the eccentricity of the tube, ε, where ε = 0 returns the system to a spherical vesicle with two open opposite sides, and (III) finally, Lifson-Jackson formula that is used to compute expressions to assess the mean effective diffusion coefficient for a periodic elliptic channel formed by contacting ellipses, also as a function of the eccentricity. Mathematical expressions are presented and contrasted against computational simulations to validate them. Yoshua Chávez, Marco-Vinicio Vázquez, and Leonardo Dagdug Copyright © 2015 Yoshua Chávez et al. All rights reserved. Study of Selected Metals Distribution, Source Apportionment, and Risk Assessment in Suburban Soil, Pakistan Thu, 04 Jun 2015 08:51:13 +0000 http://www.hindawi.com/journals/jchem/2015/481324/ Composite soil samples collected from suburban areas were analyzed for Cd, Co, Cr, Cu, Fe, Mn, Pb, Sr, and Zn by atomic absorption spectrophotometry. Based on pseudototal metal analysis, Fe, Mn, Sr, and Zn were the prevailing metals while Cd, Co, Cr, and Pb were the least participants. However, based on bioavailability, Cd, Co, Pb, and Sr were easily leachable and might pose adverse effects to soil biota. In ecological risk assessment, contamination factor demonstrated moderate contamination by Co, Sr, and Zn and high contamination by Cd, Cu, and Pb; geoaccumulation index indicated heavy to extreme contamination by Cd and heavy contamination by Pb; enrichment factor revealed significant enrichment by Co, Cr, Cu, Mn, Sr, and Zn and extreme enrichment by Cd and Pb. Substantial human inputs for Cd, Co, Cr, Cu, Mn, Pb, Sr, and Zn were also revealed by principal component analysis in the examined soil. Overall the study area was found to be contaminated at considerable/high degree. Javed Iqbal and Munir H. Shah Copyright © 2015 Javed Iqbal and Munir H. Shah. All rights reserved.