Journal of Chemistry http://www.hindawi.com The latest articles from Hindawi Publishing Corporation © 2016 , Hindawi Publishing Corporation . All rights reserved. Theoretical Study of Phosphoethanolamine: A Synthetic Anticancer Agent with Broad Antitumor Activity Thu, 28 Jul 2016 07:51:15 +0000 http://www.hindawi.com/journals/jchem/2016/4068641/ Cancer is a major public health problem with limited success of available treatments, pointing to the need for new strategies to be developed. Phosphoethanolamine exhibits broad antitumor activity in a variety of tumor cells and potent inhibitor effects on tumor progress in vivo. Once-used organophosphates inhibit acetylcholinesterase (AChE), resulting in toxic effects to the user. As this group is present in phosphoethanolamine, we perform prediction of the in silico metabolism of phosphoethanolamine and submit this series to a docking study on AChE. A total of 10 metabolites were indicated by the prediction, including ammonia and hydroxylamine, which were not included in the study. Using a group of 8 organophosphorus whose pIC50 values ranged from 5.92 to 9.47 as template, we observed that no compound present in the phosphoethanolamine series had a binding energy lower than that of organophosphorus, suggesting that the series has low inhibitory power on AChE. In light of this, we conclude that phosphoethanolamine and its predicted metabolites do not significantly inhibit AChE to cause a cholinergic crisis. This finding highlights the importance of investigating this compound as lead for potential anticancer agents. Vitor Prates Lorenzo, Francisco Jaime Bezerra Mendonça Júnior, José Maria Barbosa Filho, Luciana Scotti, and Marcus Tullius Scotti Copyright © 2016 Vitor Prates Lorenzo et al. All rights reserved. Blending Influence on the Conversion Efficiency of the Cogasification Process of Corn Stover and Coal Thu, 28 Jul 2016 07:48:00 +0000 http://www.hindawi.com/journals/jchem/2016/3910986/ Characterizations of biomass and coal were undertaken in order to compare their properties and determine the combustion characteristics of both feedstocks. The study was also intended to establish whether the biomass (corn stover) used for this study is a suitable feedstock for blending with coal for the purpose of cogasification based on composition and properties. Proximate and ultimate analyses as well as energy value of both samples including their blends were undertaken and results showed that corn stover is a biomass material well suited for blending with coal for the purpose of cogasification, given its high volatile matter content which was measured and found to be 75.3% and its low ash content of 3.3% including its moderate calorific value of 16.1%. The results of the compositional analyses of both pure and blended samples of corn stover and coal were used to conduct computer simulation of the cogasification processes in order to establish the best blend that would result in optimum cogasification efficiency under standard gasifier operating conditions. The final result of the cogasification simulation process indicated that 90% corn stover/10% coal resulted in a maximum efficiency of about 58% because conversion was efficiently achieved at a temperature that is intermediate to that of coal and corn stover independently. Anthony Ike Anukam, Sampson Ntshengedzeni Mamphweli, Polycarp Sbusiso Mabizela, and Edson Leroy Meyer Copyright © 2016 Anthony Ike Anukam et al. All rights reserved. Surface Modification of Polypropylene Membrane Using Biopolymers with Potential Applications for Metal Ion Removal Mon, 25 Jul 2016 08:38:26 +0000 http://www.hindawi.com/journals/jchem/2016/2742013/ This work aims to present the modification of polypropylene (PP) membranes using three different biopolymers, chitosan (CHI), potato starch (PS), and cellulose (CEL), in order to obtain three new materials. The modified membranes may be degraded easier than polypropylene ones and could be used as selective membranes for metal ions removal, among other applications. For this purpose, the UV energy induced graft copolymerization reaction among polypropylene membrane, acrylic acid, benzophenone (as photoinitiator), and the biopolymer (CHI, PS, or CEL) was conducted. The results of FT-IR-ATR, XRD, TGA, DSC, SEM, BET, and AFM analyses and mechanical properties clearly indicate the successful modification of the membrane surface. The change of surface wettability was monitored by contact angle. The grafting reaction depends on natural polymer, reaction time, and concentration. In order to prove the potential application of the modified membranes, a preliminary study of sorption of metal ion was carried out. For this purpose, the PP-CHI membrane was chosen because of the high hydrophilicity, proportionate to -OH and NH2; these groups could act as ligands of metal ions, provoking the interaction between PP-CHI and M+ (PP-CHI-M+) and therefore the metal ion removal from water. Omar Alberto Hernández-Aguirre, Alejandra Núñez-Pineda, Melina Tapia-Tapia, and Rosa María Gómez Espinosa Copyright © 2016 Omar Alberto Hernández-Aguirre et al. All rights reserved. Comparison of Neuroprotective and Cognition-Enhancing Properties of Hydrolysates from Soybean, Walnut, and Peanut Protein Mon, 25 Jul 2016 06:39:57 +0000 http://www.hindawi.com/journals/jchem/2016/9358285/ Hydrolysates were prepared from soybean, walnut, and peanut protein by papain, respectively. Their amino acid compositions and molecular weight distributions, the effects of various hydrolysates on H2O2-induced injury PC12 cells, and cognition of mice were investigated, respectively. Results showed that the three hydrolysates were dominated by the peptides with 1–3 KDa with large amount of neurotrophic amino acids. All the hydrolysates exhibited much stronger inhibitory activity against H2O2-induced toxicity than cerebrolysin, and soy protein hydrolysate showed the highest activity. Moreover, the hydrolysates also could reduce the rate of nonviable apoptotic cells at the concentration of 2 mg/mL. The test of animal’s cognition indicated that three hydrolysates could present partly better effect of improving recurred memory ability of normal mice and consolidated memory ability of anisodine-treated mice than piracetam. Therefore, soybean, walnut, and peanut protein hydrolysates were recommended as a potential food raw material for prevention or treatment of neurodegenerative disorders. Wenzhi Li, Tiantian Zhao, Jianan Zhang, Changping Wu, Mouming Zhao, and Guowan Su Copyright © 2016 Wenzhi Li et al. All rights reserved. Numerical Simulation and Optimization of Enhanced Oil Recovery by the In Situ Generated CO2 Huff-n-Puff Process with Compound Surfactant Thu, 21 Jul 2016 11:40:05 +0000 http://www.hindawi.com/journals/jchem/2016/6731848/ This paper presents the numerical investigation and optimization of the operating parameters of the in situ generated CO2 Huff-n-Puff method with compound surfactant on the performance of enhanced oil recovery. First, we conducted experiments of in situ generated CO2 and surfactant flooding. Next, we constructed a single-well radial 3D numerical model using a thermal recovery chemical flooding simulator to simulate the process of CO2 Huff-n-Puff. The activation energy and reaction enthalpy were calculated based on the reaction kinetics and thermodynamic models. The interpolation parameters were determined through history matching a series of surfactant core flooding results with the simulation model. The effect of compound surfactant on the Huff-n-Puff CO2 process was demonstrated via a series of sensitivity studies to quantify the effects of a number of operation parameters including the injection volume and mole concentration of the reagent, the injection rate, the well shut-in time, and the oil withdrawal rate. Based on the daily production rate during the period of Huff-n-Puff, a desirable agreement was shown between the field applications and simulated results. Yong Tang, Zhengyuan Su, Jibo He, and Fulin Yang Copyright © 2016 Yong Tang et al. All rights reserved. Green Production of Indolylquinones, Derivatives of Perezone, and Related Molecules, Promising Antineoplastic Compounds Wed, 20 Jul 2016 16:53:36 +0000 http://www.hindawi.com/journals/jchem/2016/3870529/ A green approach to produce the indolyl derivatives from four natural quinones (perezone, isoperezone, menadione, and plumbagin) was performed; in this regard, a comparative study was accomplished among the typical mantle heating and three nonconventional activating modes of reaction (microwave, near-infrared, and high speed ball milling or tribochemical), under solventless conditions and using bentonitic clay as a catalyst. In addition, the tribochemical production of isoperezone from perezone is also commented on. It is also worth noting that the cytotoxicity of the synthesized indolylquinones in human breast cancer cell was tested by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay, with the 3-indolylisoperezone being the most active. The structural attribution of the target molecules was performed by typical spectroscopic procedures; moreover, the experimental and computed 1H and 13C NMR chemical shifts data, with previous acquisition of the corresponding minimum energetic structures, were in good agreement. René Gerardo Escobedo-González, Héctor Pérez Martínez, Ma. Inés Nicolás-Vázquez, Joel Martínez, Gabriela Gómez, Juan Nava Serrano, Vladimir Carranza Téllez, C. L. Vargas-Requena, and René Miranda Ruvalcaba Copyright © 2016 René Gerardo Escobedo-González et al. All rights reserved. A Way to Improve Luminescent Efficiency of Bis-Chalcone Derivatives Wed, 20 Jul 2016 13:20:55 +0000 http://www.hindawi.com/journals/jchem/2016/3608137/ Chalcone related compounds have been reported as a poor luminescence molecule due to the quenching processes from the intramolecular torsional motions and cis-trans isomerization in the α,β-unsaturated ketone moiety. Despite this limitation, we found a way to improve the luminescent efficiency of our bis-chalcone derivative. In this project, two series of bis-chalcone compounds have been synthesized through Claisen-Schmidt condensation by reacting terephthaldehyde or 2,5-dimethoxyterephthaldehyde with the respective R-acetophenone [where R = H (1a and 2a) and ortho-hydroxy (1b and 2b)] in 1 : 2 mole ratio. The presence of a methoxy (OMe) substituent on the central phenyl ring of bis-chalcone has weakened the C=C bond at the α,β-unsaturated ketone moiety of 2a and 2b. Interestingly, the OMe group has improved the emission efficiency of the bis-chalcone; that is, the quantum yield of 1a in DCM solution was not able to be determined due to poor luminescence, but the quantum yield of 2a in DCM solution was improved to 0.57. In addition, compound 2a also shows solvatochromism effect where the emission shifted from 499 nm in nonpolar solvents (benzene) to 523 nm in polar solvents (acetonitrile). This work provides another way to improve the emission efficiency of chalcone related compounds apart from using the complexation method which has been reported before. Meng Guan Tay, Mee Hing Tiong, Ying Ying Chia, Suzie Hui Chin Kuan, and Zhi-Qiang Liu Copyright © 2016 Meng Guan Tay et al. All rights reserved. Study of Diagenesis and Pore Evolution of Triassic Jialingjiang Formation in Southern Puguang Gasfield Wed, 20 Jul 2016 12:47:17 +0000 http://www.hindawi.com/journals/jchem/2016/7328326/ The second member of Jialingjiang formation is considered to be an important gas reservoir with good exploration prospects in the southern Puguang gasfield. The diagenesis types are analyzed and different diagenetic stages are divided by analyzing carbon and oxygen isotopes as well as observing the slices. The widespread forms of diagenesis in the research area principally include compaction, cementation, pressure solution, dolomitization, recrystallization, dissolution, and tectonic disruption, among which cementation, dissolution, dolomitization, and recrystallization contribute greatly to the development of porosity in the reservoir. The reservoir has experienced four diagenetic stages: syndiagenetic stage, early stage of diagenesis, diagenetic stage, and late diagenetic stage. Most of the primary pores were destroyed in the diagenetic evolution stages of reservoir; the present porosity mainly belongs to the secondary pores. Qi Chen, Quan-wen Liu, and Shenjian Wang Copyright © 2016 Qi Chen et al. All rights reserved. A Novel Melt Cast Composite Booster Formulation Based on DNTF/TNT/GAP-ETPE/Nano-HMX Wed, 20 Jul 2016 06:58:21 +0000 http://www.hindawi.com/journals/jchem/2016/6521913/ To obtain the melt cast booster explosive formulation with high energy and low critical detonation diameter, melt cast explosives were designed by 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF)/2,4,6-trinitrotoluene (TNT)/glycidyl azide polymer-energetic thermoplastic elastomer (GAP-ETPE)/nano-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX)/Aristowax. Furthermore, the impact sensitivity, small scale gap test, rheological properties, propagation reliability, and detonation velocity were measured and analyzed. The results show that when the mass ratio of DNTF/TNT/GAP-ETPE/nano-HMX/Aristowax is 34.2/22.8/2/40/1, not only does it indicate excellent rheological property but it has a brilliant safety performance as well. Moreover, it can propagate the detonation waves successfully in the groove at 0.7 mm × 0.7 mm. When the charge density in the groove is 1.70 g·cm−3, its detonation velocity can reach 7890 m·s−1. Shuo Yu and Hequn Li Copyright © 2016 Shuo Yu and Hequn Li. All rights reserved. Sorghum [Sorghum bicolor (L.) Moench] Genotypes with Contrasting Polyphenol Compositions Differentially Modulate Inflammatory Cytokines in Mouse Macrophages Mon, 18 Jul 2016 17:27:50 +0000 http://www.hindawi.com/journals/jchem/2016/9640869/ This study sought to characterize and compare anti-inflammatory effects of twenty sorghum accessions with contrasting grain polyphenol concentrations but similar genetic backgrounds (based on a genomewide estimate of relatedness). Cell viability, tumor necrosis factor- (TNF-) α, and interleukin- (IL-) 6 were measured in RAW 264.7 macrophages treated with increasing doses (0, 15, 30, and 60 μg/mL) of sorghum ethanol extracts and stimulated with lipopolysaccharide (LPS). Extract dose had a significant effect on TNF-α and IL-6, with a trend of cytokines decreasing between 0 μg/mL and 15 μg/mL of sorghum extract. Genotype also had a significant effect on the cytokines, with extracts from four accessions significantly decreasing TNF-α and/or IL-6. Cells treated with 3-deoxyanthocyanidin-containing accessions had less cytokine production than non-3-deoxyanthocyanidin accessions, whereas cells treated with proanthocyanidin-containing accessions had more cytokine production than cells treated with nonproanthocyanidin accessions. Additionally, there was a significant effect of the Tannin1 allele on TNF-α and IL-6. Our results demonstrate that sorghum genotypes differentially modulate induction of inflammatory cytokine production in RAW 264.7 macrophages and that specialty grain has the potential to be tailored by controlling traits at the nucleotide level. This study adds to our knowledge of sorghum health effects and contributes to efforts aimed at developing health-promoting sorghum grain. Davina H. Rhodes and Stephen Kresovich Copyright © 2016 Davina H. Rhodes and Stephen Kresovich. All rights reserved. Synthesis, Characterization, and Anticancer Activity of New Benzofuran Substituted Chalcones Sun, 17 Jul 2016 12:51:04 +0000 http://www.hindawi.com/journals/jchem/2016/7678486/ Benzofuran derivatives are of great interest in medicinal chemistry and have drawn considerable attention due to their diverse pharmacological profiles including anticancer activity. Similarly, chalcones, which are common substructures of numerous natural products belonging to the flavonoid class, feature strong anticancer properties. A novel series of chalcones, 3-aryl-1-(5-bromo-1-benzofuran-2-yl)-2-propanones propenones (3a–f), were designed, synthesized, and characterized. In vitro antitumor activities of the newly synthesized (3a–f) and previously synthesized (3g–j) chalcone compounds were determined by using human breast (MCF-7) and prostate (PC-3) cancer cell lines. Antitumor properties of all compounds were determined by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Cell viability assay for the tested chalcone compounds was performed and the values of the compounds were calculated after 24-hour treatment. Our results indicate that the tested chalcone compounds show antitumor activity against MCF-7 and PC-3 cell lines (). Demet Coşkun, Suat Tekin, Süleyman Sandal, and Mehmet Fatih Coşkun Copyright © 2016 Demet Coşkun et al. All rights reserved. Recent Natural Corrosion Inhibitors for Mild Steel: An Overview Thu, 14 Jul 2016 13:17:56 +0000 http://www.hindawi.com/journals/jchem/2016/6208937/ Traditionally, reduction of corrosion has been managed by various methods including cathodic protection, process control, reduction of the metal impurity content, and application of surface treatment techniques, as well as incorporation of suitable alloys. However, the use of corrosion inhibitors has proven to be the easiest and cheapest method for corrosion protection and prevention in acidic media. These inhibitors slow down the corrosion rate and thus prevent monetary losses due to metallic corrosion on industrial vessels, equipment, or surfaces. Inorganic and organic inhibitors are toxic and costly and thus recent focus has been turned to develop environmentally benign methods for corrosion retardation. Many researchers have recently focused on corrosion prevention methods using green inhibitors for mild steel in acidic solutions to mimic industrial processes. This paper provides an overview of types of corrosion, corrosion process, and mainly recent work done on the application of natural plant extracts as corrosion inhibitors for mild steel. Marko Chigondo and Fidelis Chigondo Copyright © 2016 Marko Chigondo and Fidelis Chigondo. All rights reserved. Removal of Arsenite from Water by Ce-Al-Fe Trimetal Oxide Adsorbent: Kinetics, Isotherms, and Thermodynamics Thu, 14 Jul 2016 07:31:33 +0000 http://www.hindawi.com/journals/jchem/2016/8617219/ Ce-Al-Fe trimetal oxide adsorbent was prepared. The morphology characteristics of the new adsorbent were analysed by the transmission electron microscope (SEM) method. The SEM results implied its ability in the adsorption of As (III). To verify the analyses, bench-scale experiments were performed for the removal of As (III) from water. In the experiments of adsorption, As (III) adsorption capacity of the trimetal oxide adsorbent was presented significantly higher than activated aluminium oxide and activated carbon. As (III) adsorption kinetics resembled pseudo-second-order adsorption mode. When initial As (III) concentration was 3, 8, and 10 mg·L−1, the maximum adsorption capacity achieved was 1.48, 3.73, and 5.12 mg·g−1, respectively. In addition, the experimental adsorption data were described well by the Freundlich adsorption isotherm model at 20, 30, and 40°C. The enthalpy change , the standard free energy , and entropy change indicated that the nature of As (III) adsorption was exothermic and spontaneous with increasing randomness on the interface of solid and liquid. And the adsorption mechanism can be interpreted as chemisorption with As (III) multilayer coverage formation on the adsorbent surface. Cuizhen Sun, Jinwei Qiu, Zhibin Zhang, Taha F. Marhaba, and Yanhao Zhang Copyright © 2016 Cuizhen Sun et al. All rights reserved. A Novel Rotating Disk System for Disintegration of Excess Sludge Wed, 13 Jul 2016 13:00:21 +0000 http://www.hindawi.com/journals/jchem/2016/1563560/ Conventional activated sludge treatment process has been widely employed to deal with a variety of municipal and industrial waste water, but the production of sludge by this method is considerable. It is urgent to find an appropriate method which can solve this problem. Shear force produced by rotating disk system (a cell lysis system) was employed to break cell wall of sludge microorganism in order to release intracellular materials which can be reused as nutrient materials for metabolism of other sludge microorganisms in this study. Special feature on surfaces of disks had been proved to be a novel improvement which can improve disintegration effect apparently. Ultrasonic system can further promote minimization of excess sludge after treatment by rotating disk system in shorter time. Ming yang Zhang, Yun Xiang, and Jian wei Du Copyright © 2016 Ming yang Zhang et al. All rights reserved. Comparison of Physicochemical Characteristics of Starch Isolated from Sweet and Grain Sorghum Tue, 12 Jul 2016 14:15:26 +0000 http://www.hindawi.com/journals/jchem/2016/7648639/ The worldwide interest about sweet sorghum (Sorghum bicolor L. Moench) goes towards stem sugar, but little has been focused on its grain. The starches were isolated from the grains of eight sweet and four grain sorghum varieties, and their physical, chemical, and morphological properties were carefully compared. The results reflected that starch from sweet varieties usually had larger granule size than that from grain ones, especially from two sweet varieties GL-4 and GL-6 with the granule size of 15.49 m and 15.67 m, respectively. The amylose content of sweet varieties starch was lower than that of grain ones. For water solubility index, starch from sweet varieties ranked top, whereas that from grain varieties ranked top for swelling power. The starch from both sweet and grain had A-type crystalline pattern, while the data from 13C NMR reflected pattern differences for and resonance between sweet and grain varieties. Chains length distribution from sweet varieties debranched starch was found a little different from grain one. The starch particles surface of sweet sorghum was smooth with some dents, while that from grain was smooth without appearance of dents. As sweet sorghum has ability to withstand harsh environments where other crops do not and is characterized by low production cost, the extensive potential existed for starch from sweet varieties to be used in starch industries. Abuelgasim Mohamed Ahmed, Changquan Zhang, and Qiaoquan Liu Copyright © 2016 Abuelgasim Mohamed Ahmed et al. All rights reserved. Effect of a New Natural Seasoning on the Formation of Pyrazines in Barbecued Beef Patties Tue, 12 Jul 2016 14:09:26 +0000 http://www.hindawi.com/journals/jchem/2016/1056201/ The formation of pyrazines in food cooking is required to obtain satisfactory “roasted” flavor. The aim of this work was to evaluate the effect of a new red wine pomace seasoning (RWPS) on the formation of pyrazines in barbecued beef patties. Five pyrazines were successfully identified, 2,5-dimethylpyrazine being the most abundant. Although 2-ethyl-5-methylpyrazine was in lower levels, it presented the highest odor units, due to its low threshold. RWPS enhanced the formation of the five identified pyrazines (2.1 times), without relevant changes in the proportion between them. The highest increase was observed for 2-ethyl-6-methylpyrazine (3 times higher than in control). These results were corroborated by electronic nose analysis, presenting RWPS beef patties higher odor intensities. Mechanisms to explain these effects are also proposed in the present work, and the high content of polyphenols seems to be the major cause of the observed results. The use of RWPS could improve the flavor characteristics of meat products or enable using less intense cooking conditions with no changes in the flavor. Javier García-Lomillo, Ma Luisa González-SanJosé, Raquel Del Pino-García, Miriam Ortega-Heras, and Pilar Muñiz-Rodríguez Copyright © 2016 Javier García-Lomillo et al. All rights reserved. Comparative Analysis of the Effectiveness of Regulation of Aeration Depending on the Quantitative Characteristics of Treated Sewage Water Tue, 12 Jul 2016 12:22:34 +0000 http://www.hindawi.com/journals/jchem/2016/6874806/ Monitoring of work of the aeration tanks of operating town treatment plants is done. Based on the obtained results a conclusion has been drawn that sewage water is improperly treated from ammonium nitrogen. The velocity of the aeration process, depending on the concentration of dissolved oxygen and ammonium nitrogen, is investigated. The obtained investigation data became the basis for modeling the aeration process in industrial conditions depending on the required initial concentration of ammonium nitrogen. Myroslav Malovanyy, Vira Shandrovych, Andriy Malovanyy, and Igor Polyuzhyn Copyright © 2016 Myroslav Malovanyy et al. All rights reserved. Synthesis and Anticancer Activity of 1-(1H-Indol-3-yl)-2-(4-diarylmethylpiperazine-1-yl)ethane-1,2-dione Derivatives Sun, 10 Jul 2016 09:12:04 +0000 http://www.hindawi.com/journals/jchem/2016/4617454/ Several new 1-(4-diarylmethylpiperazine-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione derivatives were synthesized by acylation of 1-diarylmethylpiperazine with 2-(1H-indol-3-yl)-2-oxoacetyl chloride. Their structures were confirmed by 1H NMR, IR, mass spectra, and elemental analysis. These compounds were further evaluated for their anticancer activity, and most of them were found to have moderate-to-potent antiproliferative activities against Hela, A-549, and ECA-109 cancer cell lines in vitro. Jun-Rong Jiang, Feng Xu, and Han-Gui Wu Copyright © 2016 Jun-Rong Jiang et al. All rights reserved. Effects of Controlled Irrigation and Drainage on Nitrogen and Phosphorus Concentrations in Paddy Water Tue, 05 Jul 2016 14:25:46 +0000 http://www.hindawi.com/journals/jchem/2016/2576015/ Controlled irrigation and drainage (CID) has received attention for improving water quality. Under CID condition, water stress is frequently experienced in two contexts: first drought and then flooding (FDTF) and first flooding and then drought (FFTD). This study aimed to investigate the effects of FDTF and FFTD on nitrogen (N) and phosphorus (P) dynamics in paddy water at different growth stages. The effects of water stress on the migration and transformation of N and P were also investigated. Results showed that CID can decrease N and P concentrations in surface water. was the major form of N in surface drainage and percolation water. Mean total phosphorus (TP), , and concentrations were significantly higher than in FFTD during the growth stage. Mean , , and TP concentrations were significantly higher in percolation water under flooding stress than those under drought stress at growth stage, except for mean TP concentrations at milky stage (stage IV). Meanwhile, flooding can sharply increase the , , and TP concentrations in percolation water after drought. Thus, without CID, the considerably high , , and TP concentrations via runoff and leaching can be responsible for the eutrophication of water bodies in the vicinity of paddy fields during the rice growing season when water stress transforms from drought into flooding. Shi-kai Gao, Shuang-en Yu, Guang-cheng Shao, Dong-li She, Mei Wang, Rong Guo, Rui-zhe Cao, Shao-feng Yan, and Ji-hui Ding Copyright © 2016 Shi-kai Gao et al. All rights reserved. Characterization of Dissolved Organic Matter in River Water by Conventional Methods and Direct Sample Analysis-Time of Flight-Mass Spectrometry Mon, 04 Jul 2016 12:30:49 +0000 http://www.hindawi.com/journals/jchem/2016/1537370/ The dissolved organic matter in surface waters is composed of fractions of different molecular weight and polarity, characteristics that determine their capacity for complexing different types of pollutants and their environmental impact. In this study, the dissolved organic matter in the surface water of the Bio-Bio River (Central Region of Chile) was characterized chemically and spectroscopically after fractionating by molecular weight and polarity. The technique of direct sample analysis-time of flight-mass spectrometry (DSA-TOF-MS) was used to obtain more information on the composition of dissolved organic matter. It is concluded that dissolved organic matter found in the water of the river from the site of minor human impact (Rucalhue) has a predominantly natural origin, with a high content of aromatic carbon, in contrast to dissolved organic matter found in the waters of the sites that have higher human impact (Laja and Concepción), characterized by a greater molecular size and higher organic carbon content. These results are consistent with those obtained from DSA-TOF-MS, where higher correlation was observed between the mass spectrum of the standard commercial humic acid and dissolved organic matter found in the sectors of Laja and Concepción, unlike the spectrum mass of lignin which is more like dissolved organic matter found in the sector Rucalhue. T. Garrido Reyes and J. Mendoza Crisosto Copyright © 2016 T. Garrido Reyes and J. Mendoza Crisosto. All rights reserved. Reaction of Acyl Chlorides with In Situ Formed Zinc Selenolates: Synthesis of Selenoesters versus Ring-Opening Reaction of Tetrahydrofuran Sun, 03 Jul 2016 11:39:59 +0000 http://www.hindawi.com/journals/jchem/2016/2849140/ Attempting to apply the in situ production of PhSeZnSePh to the synthesis of selenoesters, an unexpected reaction involving the solvent (tetrahydrofuran) was observed and studied. We reported here some evidences about the mechanism and the possibility to control the chemoselectivity of this new reaction that afforded the formation of interesting selenoderivatives in which the selenium moiety and the carboxylic one are spaced by four carbon units. Gemma Bellino, Marialaura Scisciani, Jaqueline Pinto Vargas, Luca Sancineto, Luana Bagnoli, Francesca Marini, Diogo Seibert Lüdtke, Eder Joao Lenardao, and Claudio Santi Copyright © 2016 Gemma Bellino et al. All rights reserved. Effect of Alkali Treatment of Wheat Straw on Adsorption of Cu(II) under Acidic Condition Sun, 03 Jul 2016 06:11:55 +0000 http://www.hindawi.com/journals/jchem/2016/6326372/ The convenient and feasible pretreatment method of alkali treatment is very common in the degradation process of wheat straw. However, its utilization in the pretreatment of wheat straw as alternative adsorbents for aqueous heavy metals remediation is rarely reported. The present study investigated the removal efficiency of Cu(II) ions using wheat straw with alkali pretreatment. The condition of alkali treatment on wheat straw was optimized with the adsorption capacity of Cu(II) as indicator using single-factor experiments. The influences of wheat straw dosages, pH values, contact time, and temperatures on adsorption performance for both untreated wheat straw (UWS) and alkali-treated wheat straw (AWS) were investigated. Results showed that the relatively large removal rate of Cu(II) could be obtained, and chemical behavior occurred during the adsorption process. Characteristic analysis found that the major function of alkali treatment to wheat straw was to introduce the hydroxy group, which resulted in the increase of -C-O- group. Although the adsorption capacity is not as high as the one of ligands supported adsorbents, the method is easy to operate and has a wide range of application; at the same time, it could realize both purposes of treating heavy metal pollution and solid wastes. Yiping Guo, Weiyong Zhu, Guoting Li, Xiaomin Wang, and Lingfeng Zhu Copyright © 2016 Yiping Guo et al. All rights reserved. Cryptosporidium Removal from Runoff by Active Carbon Filter with Coal Gangue Wed, 29 Jun 2016 09:14:44 +0000 http://www.hindawi.com/journals/jchem/2016/4873427/ Transport of Cryptosporidium in runoff will contaminate the surrounding water body. Cryptosporidium-sized microspheres and inactive Cryptosporidium parvum oocysts removal using an active carbon (AC) filter with/without coal gangue from the runoff was evaluated. Chemical composition of coal gangue was determined, and its performance as a water treatment material was tested. Results showed SiO2 was the dominant chemical component of coal gangue. Removal was only 20% for microspheres and 24% for oocysts by AC filtration alone. The removal for both was increased to more than 98% by addition of coal gangue powder to the filter. Furthermore, gangue reuse turned commercially worthless material to a water treatment material as well helping prevent gangue from occupying agriculture/industry land. Ping Lu, Tao Yuan, and Baojun Zhang Copyright © 2016 Ping Lu et al. All rights reserved. Impact of Pregnancy on the Levels of Parabens and Bisphenol A: Data from NHANES 2005–2010 Wed, 29 Jun 2016 08:02:36 +0000 http://www.hindawi.com/journals/jchem/2016/1529071/ Using data from the National Health and Nutrition Examination Survey, regression models were fitted to assess the relationship between the levels of bisphenol A and selected parabens and pregnancy status among females 20–44 years old with adjustments made for factors that may affect the levels of these chemicals. Pregnancy did not affect the levels of bisphenol A, ethyl paraben, methyl paraben, and propyl paraben, but the pregnancy was found to be associated with increased levels of butyl paraben. Also, the levels of bisphenol A and butyl, ethyl, and methyl parabens increased as pregnancy progressed from the first trimester to the third trimester. The increasing levels of bisphenol A and parabens during pregnancy are of concern and need further clinical explanation. Ram B. Jain Copyright © 2016 Ram B. Jain. All rights reserved. Effects of Extruded Soy Protein on the Quality of Chinese Steamed Bread Wed, 29 Jun 2016 07:24:31 +0000 http://www.hindawi.com/journals/jchem/2016/3691523/ Five different extruded soy protein isolates (ESPIs) were obtained by extrusion and denoted by IVD1, IVD2, IVD3, IVD4, and IVD5. Then the SDS-PAGE results showed that the subunits of SPI decreased after extrusion, especially the subunits of 90.8, 32.8, and 31.3 kDa, whereas no isopeptide bond was formed. Although SPI improved both the development time (DT) and stability (S) of dough, ESPIs increased S but the DT decreased from 4.3 min to 1.8–2.0 min. Texture profile analysis (TPA) results showed that the hardness and chewiness of Chinese steamed bread (CSB) decreased in the order wheat flour+IVD2 (WF+IVD2), WF+SPI, WF+IVD4, WF+IVD1, WF+IVD3, WF, and WF+IVD5. As regards color, the total color decreased except for the WF+IVD1 (56.22); its positive and negative trends of and were invariant with the SPI or ESPIs mixture, whereas showed a positive trend. The sensory score increased from 82.7 to 83.4 with 3% of SPI addition and up to 87.8 when the substitution was IVD1. Therefore, SPI treated by extrusion may significantly improve the quality of CSB. Zhenya Du, Fusheng Chen, Kunlun Liu, Shaojuan Lai, Lifen Zhang, Guanhao Bu, Xueli Gao, and Shaobo Liu Copyright © 2016 Zhenya Du et al. All rights reserved. Synthesis, Characterization, and Antimicrobial Activities of Coordination Compounds of Aspartic Acid Tue, 28 Jun 2016 05:53:39 +0000 http://www.hindawi.com/journals/jchem/2016/7317015/ Coordination compounds of aspartic acid were synthesized in basic and acidic media, with metal ligand M : L stoichiometric ratio 1 : 2. The complexes were characterized using infrared, electronic and magnetic susceptibility measurements, and mass spectrometry. Antimicrobial activity of the compounds was determined against three Gram-positive and three Gram-negative bacteria and one fungus. The results obtained indicated that the availability of donor atoms used for coordination was a function of the pH of the solution in which the reaction was carried out. This resulted in varying geometrical structures for the complexes. The compounds exhibited a broad spectrum of activity and in some cases better activity than the standard. T. O. Aiyelabola, D. A. Isabirye, E. O. Akinkunmi, O. A. Ogunkunle, and I. A. O. Ojo Copyright © 2016 T. O. Aiyelabola et al. All rights reserved. Effect of Methanol on Viscosity of Aqueous Solutions of Cationic Surfactants at 298.15 to 323.15 K Sun, 26 Jun 2016 13:26:57 +0000 http://www.hindawi.com/journals/jchem/2016/2176769/ Viscosity measurements have been made to the solutions of dodecyltrimethylammonium bromide (DTAB) and cetyltrimethylammonium bromide (CTAB) in 0.10, 0.20, 0.30, and 0.40 volume fractions of methanol in methanol-water mixed solvent media at 298.15, 308.15, 318.15, and 323.25 K. Critical micelle concentration (CMC) values have been determined. From relative viscosity for surfactant solutions, related viscosity B coefficients are calculated and the values are interpreted in terms of solute-solvent interactions. Sujit Kumar Shah, Sujeet Kumar Chatterjee, and Ajaya Bhattarai Copyright © 2016 Sujit Kumar Shah et al. All rights reserved. Removal of Reactive Orange 16 Dye from Aqueous Solution by Using Modified Kenaf Core Fiber Sun, 26 Jun 2016 09:40:06 +0000 http://www.hindawi.com/journals/jchem/2016/4262578/ Evaluated removal of reactive orange 16 (RO16) dye from aqueous solution was studied in batch mode by using kenaf core fiber as low-cost adsorbents. In this attempt, kenaf core fiber with size 0.25–1 mm was treated by using (3-chloro-2-hydroxypropyl) trimethylammonium chloride (CHMAC) as quaternization agent. Then effective parameters include adsorbent dose, pH, and contact time and initial dye concentration on adsorption by modified kenaf core fiber was investigated. In addition, isotherms and kinetics adsorption studies were estimated for determination of the equilibrium adsorption capacity and reactions dynamics, respectively. Results showed that the best dose of MKCF was 0.1 g/100 mL, the maximum removal of RO16 was 97.25 at 30°C, pH = 6.5, and agitation speed was 150 rpm. The results also showed that the equilibrium data were represented by Freundlich isotherm with correlation coefficients , and the kinetic study followed the pseudo-second-order kinetic model with correlation coefficients for  mg/L. Furthermore, the maximum adsorption capacity was 416.86 mg/g. Adsorption through kenaf was found to be very effective for the removal of the RO16 dye. Maytham Kadhim Obaid, Luqman Chuah Abdullah, and Intidhar Jabir Idan Copyright © 2016 Maytham Kadhim Obaid et al. All rights reserved. Macerals of Shengli Lignite in Inner Mongolia of China and Their Combustion Reactivity Thu, 23 Jun 2016 11:25:36 +0000 http://www.hindawi.com/journals/jchem/2016/2513275/ The macerals, including fusinitic coal containing 72.20% inertinite and xyloid coal containing 91.43% huminite, were separated from Shengli lignite using an optical microscope, and their combustion reactivity was examined by thermogravimetric analysis. Several combustion parameters, including ignition and burnout indices, were analyzed, and the combustion kinetics of the samples were calculated by regression. Fusinitic coal presented a porous structure, while xyloid coal presented a compact structure. The specific surface area of fusinitic coal was 2.5 times larger than that of xyloid coal, and the light-off temperature of the former was higher than that of the latter. However, the overall combustion reactivity of fusinitic coal was better than that of xyloid coal. The combustion processes of fusinitic and xyloid coals can be accurately described by both the homogeneous model and the shrinking core model. The features of xyloid coal agree with the shrinking core model when its conversion rate is 10%–90%. The activation energy of fusinitic coal during combustion can be divided into three phases, with the middle phase featuring the highest energy. The activation energy of xyloid coal is lower than that of fusinitic coal in the light-off phase, which may explain the low light-off temperature of this coal. Ying Yue Teng, Yu Zhe Liu, Quan Sheng Liu, and Chang Qing Li Copyright © 2016 Ying Yue Teng et al. All rights reserved. A Study on Astrazon Black AFDL Dye Adsorption onto Vietnamese Diatomite Thu, 23 Jun 2016 10:04:41 +0000 http://www.hindawi.com/journals/jchem/2016/8685437/ In the present paper, the adsorption of Astrazon Black AFDL dye onto Vietnamese diatomite has been demonstrated. The diatomite was characterized by XRD, SEM, TEM, EDS, and nitrogen adsorption/desorption isotherms. The results show that diatomite mainly constituted centric type frustules characterized by pores as discs or as cylindrical shapes. The adsorption kinetics and isotherms of dye onto Vietnam diatomite were investigated. The experimental data were fitted well to both Freundlich and Langmuir in the initial concentration range of 400–1400 mg L−1. The average value of maximum adsorption capacity, , calculated from Freundlich equation is statistically similar to the average value of maximum monolayer adsorption capacity calculated from Langmuir equation. The thermodynamic parameters evaluated from the temperature dependent on adsorption isotherms in the range of 303–343 K show that the adsorption process was spontaneous and endothermic. The Webber and pseudo-first/second-order kinetic models were used to analyze the mechanism of adsorption. The piecewise linear regression and Akaike’s Information Criterion were used to analyze experimental data. The results show that the dye adsorption onto diatomite was film diffusion controlled and the goodness of fit of experimental data for kinetics modes was dependent on the initial concentration. Bui Hai Dang Son, Vo Quang Mai, Dang Xuan Du, Nguyen Hai Phong, and Dinh Quang Khieu Copyright © 2016 Bui Hai Dang Son et al. All rights reserved.