Journal of Chemistry The latest articles from Hindawi Publishing Corporation © 2015 , Hindawi Publishing Corporation . All rights reserved. Mango Fruit Extracts Differentially Affect Proliferation and Intracellular Calcium Signalling in MCF-7 Human Breast Cancer Cells Wed, 28 Jan 2015 07:20:02 +0000 The assessment of human cancer cell proliferation is a common approach in identifying plant extracts that have potential bioactive effects. In this study, we tested the hypothesis that methanolic extracts of peel and flesh from three archetypal mango cultivars, Irwin (IW), Nam Doc Mai (NDM), and Kensington Pride (KP), differentially affect proliferation, extracellular signal-regulated kinase (ERK) activity, and intracellular calcium () signalling in MCF-7 human breast cancer cells. Mango flesh extracts from all three cultivars did not inhibit cell growth, and of the peel extracts only NDM reduced MCF-7 cell proliferation. Mango cultivar peel and flesh extracts did not significantly change ERK phosphorylation compared to controls; however, some reduced relative maximal peak after adenosine triphosphate stimulation, with NDM peel extract having the greatest effect among the treatments. Our results identify mango interfruit and intrafruit (peel and flesh) extract variability in antiproliferative effects and signalling in MCF-7 breast cancer cells and highlight that parts of the fruit (such as peel and flesh) and cultivar differences are important factors to consider when assessing potential chemopreventive bioactive compounds in plants extracts. Meng-Wong Taing, Jean-Thomas Pierson, Paul N. Shaw, Ralf G. Dietzgen, Sarah J. Roberts-Thomson, Michael J. Gidley, and Gregory R. Monteith Copyright © 2015 Meng-Wong Taing et al. All rights reserved. La Doping of CdS for Enhanced CdS/CdSe Quantum Dot Cosensitized Solar Cells Wed, 28 Jan 2015 06:43:00 +0000 CdS/CdSe system of quantum dot cosensitized solar cells (QDCSCs) is one of the most attractive structures for high-efficiency due to its effect of level adjusting. However, the stepwise structure formed between levels of CdS and CdSe has a limitation for enhancing the efficiencies. Metal ions doping in quantum dots have emerged as a common way for changing the Fermi level, band gap, and conductance. Here we report an innovative concept for the rare earth materials La-doped of the CdS layer in the CdS/CdSe QDCSCs by means of the successive ionic layer adsorption and reaction (SILAR). Then we tested that La doped quantum dots can help more electrons accumulate in CdS film, which makes the Fermi level shift up and form a stepped structure. This method leads to enhanced absorption intensity, obviously increasing current density in CdS/CdSe QDCSCs. Our research is a new exploration for improving efficiencies of quantum dot sensitized solar cells. Xiaolei Qi, Xiaoping Zou, and Sheng He Copyright © 2015 Xiaolei Qi et al. All rights reserved. Synthesis and Electrochemical Characterization of Mesoporous MnO2 Tue, 27 Jan 2015 12:57:46 +0000 The pore, crystal structure, and electrochemical performance of mesoporous MnO2 prepared by silica sol template method as electrode material for supercapacitor were investigated in this work. It is found that the crystal structure of nonporous and mesoporous MnO2 is confirmed to be β-MnO2 and the crystallinity of mesoporous MnO2 decreases due to the formation of mesopore. The results of electrochemical performance show that the specific capacitances of the sample prepared by using 20 g of Mn(NO3)2 solution and 40 g of silica sol (named MMO-4) at the scan rate of 5 mV/s are the highest (163.2 F/g), in comparison with 19.3 F/g of that of the sample of blank, suggesting the important role of pore-forming using silica sol as template. As the potential scan rate is raised to 200 mV/s, the specific capacitances of the sample of blank and MMO-4 are 12.2 F/g and 21.6 F/g, respectively. The great improvement of specific capacitance is probably due to the enlarged activated surface area after template is added. Jia Chang Zhao, Jun Wang, and Jing Li Xu Copyright © 2015 Jia Chang Zhao et al. All rights reserved. Analytical Quality by Design Approach to Test Method Development and Validation in Drug Substance Manufacturing Mon, 26 Jan 2015 06:47:28 +0000 Pharmaceutical industry has been emerging rapidly for the last decade by focusing on product Quality, Safety, and Efficacy. Pharmaceutical firms increased the number of product development by using scientific tools such as QbD (Quality by Design) and PAT (Process Analytical Technology). ICH guidelines Q8 to Q11 have discussed QbD implementation in API synthetic process and formulation development. ICH Q11 guidelines clearly discussed QbD approach for API synthesis with examples. Generic companies are implementing QbD approach in formulation development and even it is mandatory for USFDA perspective. As of now there is no specific requirements for AQbD (Analytical Quality by Design) and PAT in analytical development from all regulatory agencies. In this review, authors have discussed the implementation of QbD and AQbD simultaneously for API synthetic process and analytical methods development. AQbD key tools are identification of ATP (Analytical Target Profile), CQA (Critical Quality Attributes) with risk assessment, Method Optimization and Development with DoE, MODR (method operable design region), Control Strategy, AQbD Method Validation, and Continuous Method Monitoring (CMM). Simultaneous implementation of QbD activities in synthetic and analytical development will provide the highest quality product by minimizing the risks and even it is very good input for PAT approach. N. V. V. S. S. Raman, Useni Reddy Mallu, and Hanimi Reddy Bapatu Copyright © 2015 N. V. V. S. S. Raman et al. All rights reserved. Thermodynamic Study of Adsorption of Phenol, 4-Chlorophenol, and 4-Nitrophenol on Activated Carbon Obtained from Eucalyptus Seed Thu, 22 Jan 2015 11:45:27 +0000 Activated carbons from shell eucalyptus (Eucalyptus globulus) were prepared by chemical activation through impregnation with solutions of two activators: sulfuric acid and sodium hydroxide, the surface areas for activated carbons with base were 780 and 670 m2 g−1 and the solids activated with acid were 150 and 80 m2 g−1. These were applying in adsorption of priority pollutants: phenol, 4-nitrophenol, and 4-chlorophenol from aqueous solution. Activated carbon with the highest adsorption capacity has values of 2.12, 2.57, and 3.89 on phenol, 4-nitrophenol, and 4-chlorophenol, respectively, and was activated with base. In general, all carbons adsorption capacity was given in the following order: 4-chlorophenol > 4-nitrophenol > phenol. Adsorption isotherms of phenols on activated carbons were fitted to the Langmuir, Freundlich, and Dubinin-Radusckevisch-Kanager models, finding great association between them and experimental data. A thermodynamic study was performed, the exothermic nature and spontaneous nature of the adsorption process were confirmed, and the favorability of adsorption on activated carbons with NaOH was confirmed by energy relations and concluded that the adsorption process of phenolic compounds from the activated carbon obtained is physical. The pH of solutions and pH at point of zero charge of the solid play an important role in the adsorption process. Nelson Giovanny Rincón-Silva, Juan Carlos Moreno-Piraján, and Liliana Giraldo Giraldo Copyright © 2015 Nelson Giovanny Rincón-Silva et al. All rights reserved. Antibacterial Activity of Green Synthesis of Iron Nanoparticles Using Lawsonia inermis and Gardenia jasminoides Leaves Extract Wed, 21 Jan 2015 06:38:21 +0000 Recently, development of reliable experimental protocols for synthesis of metal nanoparticles with desired morphologies and sizes has become a major focus of researchers. Green synthesis of metallic nanoparticles has accumulated an ultimate interest over the last decade due to their distinctive properties that make them applicable in various fields of science and technology. Metal nanoparticles that are synthesized by using plants have emerged as nontoxic and ecofriendly. In this study a very cheap and simple conventional heating method was used to obtain the iron nanoparticles (FeNPs) using the leaves extract of Lawsonia inermis and Gardenia jasminoides plant. The iron nanoparticles were characterized by thermal gravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), scanning electron microscopy (SEM), atomic force microscopy (AFM), and X-ray diffraction (XRD). The antibacterial activity was studied against Escherichia coli, Salmonella enterica, Proteus mirabilis, and Staphylococcus aureus by using well-diffusion method. Tayyaba Naseem and Muhammad Akhyar Farrukh Copyright © 2015 Tayyaba Naseem and Muhammad Akhyar Farrukh. All rights reserved. Synthesis and Pesticidal Activities of 5-(2-Cyclopropylaminopyrimidin-4-yl)-4-(thiophenyl)thiazole Derivatives Tue, 20 Jan 2015 14:11:54 +0000 Pesticidal activities of 4-[5-(2-cyclopropylaminopyrimidin-4-yl)-4-(4-chloro-2-fluoro-phenyl)thiazol-2-yl]-1-methylpiperidine, designated as Comp I, have been determined against a mosquito larva, Culex pipiens pallens, and a phytopathogenic fungus, Phytophthora capsici. Comp I was used as the leading compound in this study. The compounds were synthesized by reacting them with two functional groups, 3-thiophenyl and 2-thiophenyl groups, instead of 4-chloro-2-fluorophenyl group in Comp I. Other functional groups such as 2-aminothiazole, 2-(1-methylpiperazin-4-yl)thiazole, and 2-(piperazin-4-yl)thiazole were also introduced instead of 2-methylpiperidin-4-yl-thiazole of Comp I. Compounds designated as XIII-6~XV-7 were newly synthesized and their structures were confirmed by 1H- and 13C-NMR spectroscopy. Mosquito larvicidal activities of all the synthesized compounds against C. pipiens pallens were examined and Comp I among them showed the strongest larvicidal activity as 0.513 mM of LC50 value. The fungicidal activities of all the synthesized compounds against P. capsici were examined using the whole plant method. Among the XIII-6~XV-7 chemicals, 5-(2-cyclopropylaminopyrimidin-4-yl)-4-(thiophen-2-yl)thiazol-2-amine (VIII-6) showed the most potent antifungal activity in vivo. While the EC50 value of the commercial fungicide dimethomorph was 4.26 μM, EC50 of VIII-6 was 0.94 μM. Therefore, thiazole derivatives can be considered as viable candidates for the control of mosquito larvae and plant diseases. Won-Sik Choi, Seok-Woo Nam, Il-Doo Kim, Seung-Han Kim, Kun-Ho Park, In-Kyung Bae, Eun-Sil Park, Hwang-Ju Jeon, and Sung-Eun Lee Copyright © 2015 Won-Sik Choi et al. All rights reserved. Measurement of Capsaicinoids in Chiltepin Hot Pepper: A Comparison Study between Spectrophotometric Method and High Performance Liquid Chromatography Analysis Tue, 20 Jan 2015 07:38:55 +0000 Direct spectrophotometric determination of capsaicinoids content in Chiltepin pepper was investigated as a possible alternative to HPLC analysis. Capsaicinoids were extracted from Chiltepin in red ripe and green fruit with acetonitrile and evaluated quantitatively using the HPLC method with capsaicin and dihydrocapsaicin standards. Three samples of different treatment were analyzed for their capsaicinoids content successfully by these methods. HPLC-DAD revealed that capsaicin, dihydrocapsaicin, and nordihydrocapsaicin comprised up to 98% of total capsaicinoids detected. The absorbance of the diluted samples was read on a spectrophotometer at 215–300 nm and monitored at 280 nm. We report herein the comparison between traditional UV assays and HPLC-DAD methods for the determination of the molar absorptivity coefficient of capsaicin ( and  M−1 cm−1) and dihydrocapsaicin ( and  M−1 cm−1), respectively. Statistical comparisons were performed using the regression analyses (ordinary linear regression and Deming regression) and Bland-Altman analysis. Comparative data for pungency was determined spectrophotometrically and by HPLC on samples ranging from 29.55 to 129 mg/g with a correlation of 0.91. These results indicate that the two methods significantly agree. The described spectrophotometric method can be routinely used for total capsaicinoids analysis and quality control in agricultural and pharmaceutical analysis. Alberto González-Zamora, Erick Sierra-Campos, Rebeca Pérez-Morales, Cirilo Vázquez-Vázquez, Miguel A. Gallegos-Robles, José D. López-Martínez, and José L. García-Hernández Copyright © 2015 Alberto González-Zamora et al. All rights reserved. The Application of Advanced Materials on the Water or Wastewater Treatment Mon, 19 Jan 2015 12:51:25 +0000 Yalei Zhang, Asit Mazumder, Tian C. Zhang, and Chaomeng Dai Copyright © 2015 Yalei Zhang et al. All rights reserved. Effect of Li(I) and TiO2 on the Upconversion Luminance of Pr:Y2SiO5 and Its Photodegradation on Nitrobenzene Wastewater Sun, 18 Jan 2015 09:51:59 +0000 Based on the substrate of Pr:Y2SiO5 upconversion nanomaterials, lithium ion Li(I) doped Pr:Y2SiO5 and TiO2 nanofilm coated Li,Pr:Y2SiO5 composites were prepared by using a sol-gel method. X-ray diffractometer, SEM, and fluorescence spectrometer have been employed to test the crystal structure, microimages, and upconversion luminescence performances. The doping of Li(I) affects highly the crystal transition of Pr:Y2SiO5 and X2-Y2SiO5 phase was well formed by doping 8% Li(I). Furthermore, the doping of Li(I) also brings high luminance intensity of Pr:Y2SiO5 and contributes to a maximum intensity of 9.76 × 106 cps doped 8%. Too much of Li(I) doping would result in big crystal size and fluorescence quenching of Pr:Y2SiO5 material. However, the coating of TiO2 nanofilm is not helping in increasing the upconversion fluorescence of Li,Pr:Y2SiO5 but is promoting the full use of the fluorescence. The luminescence intensities of TiO2/Li,Pr:Y2SiO5 composites are getting down sharply with the coating amount since the luminescence emitted by Li,Pr:Y2SiO5 is quickly adsorbed in situ by the TiO2 coating film. With the optimum coating concentration of 1%, the TiO2/Li,Pr:Y2SiO5 composite shows excellent photodegradation performances on nitrobenzene wastewater, though it shows a low luminescence intensity. For 5 mg/L nitrobenzene wastewater, the composite presents a photodegradation rate of 97.08% in 4 hours. Yi Yang, Guang-Zhi Xia, Cheng Liu, Jin-Hua Zhang, and Lian-Jun Wang Copyright © 2015 Yi Yang et al. All rights reserved. Actual Application of a H2-Based Polyvinyl Chloride Hollow Fiber Membrane Biofilm Reactor to Remove Nitrate from Groundwater Thu, 15 Jan 2015 14:27:07 +0000 To evaluate the actual performance of the H2-based polyvinyl chloride hollow fiber membrane biofilm reactor (HF-MBfR), we used HF-MBfR to remove nitrate from the nitrate contaminated groundwater with the dissolved oxygen (~6.2 mg/L) in Zhangqiu city (Jinan, China). The reactor was operated over 135 days with the actual nitrate contaminated groundwater. The result showed that maximum of nitrate denitrification rate achieved was over 133.8 g -N/m3d (1.18 g -N/m2d) and the total nitrogen removal was more than 95.0% at the conditions of influent nitrate 50 mg/L, hydrogen pressure 0.05 MPa, and dissolved oxygen (DO) 6.2 mg/L, with the nitrate in effluent under the value limits of drinking water. The fluxes analysis showed that the electron-equivalent fluxes of nitrate, sulfate, and oxygen account for about 81.2%, 15.2%, and 3.6%, respectively, which indicated that nitrate reduction could consume more electrons than that of sulfate reduction and dissolved oxygen reduction. The nitrate reduction was not significantly influenced by sulfate reduction and the dissolved oxygen reduction. Based on the actual groundwater quality on site, the Langelier Saturation Index (LSI) was 0.4, and the membrane could be at the risk of surface scaling. Yanhao Zhang, Lilong Huang, Zhibin Zhang, Cuizhen Sun, and Jixiang Li Copyright © 2015 Yanhao Zhang et al. All rights reserved. Analysis of Antioxidant Activity of Chinese Brown Rice by Fourier-Transformed Near Infrared Spectroscopy and Chemometrics Thu, 15 Jan 2015 13:48:05 +0000 This paper develops a rapid method using near infrared (NIR) spectroscopy for analyzing the antioxidant activity of brown rice as total phenol content (TPC) and radical scavenging activity by DPPH (2,2-diphenyl-2-picrylhydrazyl) expressed as gallic acid equivalent (GAE). Brown rice () collected from five producing areas was analyzed for TPC and DPPH by reference methods. The NIR reflectance spectra were measured with compact powders of samples and no treatment was used. Full-spectrum partial least squares (FS-PLS) and interval PLS (iPLS) were used as the regression methods to relate the antioxidant activity values to the NIR data. The spectral range of 4800–5600 cm−1 plus 6000–6400 cm−1 has the best correlation with TPC, while the range of 4400–5200 cm−1 plus 6000–6400 cm−1 is the most suitable for predicting DPPH. With standard normal variate (SNV) transformation and the selected wavelength ranges, the root mean squared error of prediction (RMSEP) is 0.062 mg GAE g−1 for TPC and 0.141 mg GAE g−1 for DPPH radical, respectively. The multiple correlation coefficients of predictions for TPC and DPPH are 0.962 and 0.974, respectively. The developed NIR method might have a potential application to quality control of brown rice in the domestic market. Xianshu Fu, Xiaoping Yu, Zihong Ye, and Haifeng Cui Copyright © 2015 Xianshu Fu et al. All rights reserved. Microwave-Assisted Synthesis and Antimicrobial Activity of Some Novel Isatin Schiff Bases Linked to Nicotinic Acid via Certain Amino Acid Bridge Thu, 15 Jan 2015 07:07:32 +0000 The coupling reaction of nicotinic acid with certain L-amino acid methyl esters including valine, leucine, and phenylalanine was done by the use of acid chloride method. The products were reacted with hydrazine hydrate 99% to give the corresponding hydrazides that were reacted with indoline-2,3-dione (isatin) to get Schiff bases under the application of microwave irradiation technique. These novel compounds were characterized by means of their FT-IR, 1H NMR, and mass spectral data. Additionally, the specific optical rotation and elemental analysis were measured. The in vitro antimicrobial activity of the synthesized compounds was evaluated by agar diffusion method. The compounds showed a strong antimicrobial inhibitory activity. Most of the test compounds possessed a broad spectrum of activities having MIC values ranging from 50 µg/mL to 500 µg/mL. Ahmed M. Naglah, Hassan M. Awad, Mashooq A. Bhat, Mohamed A. Al-Omar, and Abd El-Galil E. Amr Copyright © 2015 Ahmed M. Naglah et al. All rights reserved. Native Oils from Apple, Blackcurrant, Raspberry, and Strawberry Seeds as a Source of Polyenoic Fatty Acids, Tocochromanols, and Phytosterols: A Health Implication Wed, 14 Jan 2015 06:50:26 +0000 The oils from strawberry, blackcurrant, raspberry, and apple seeds were characterized by a high content of unsaturated fatty acids (90.8%, 88.6%, 94.0%, and 86.9%, resp.). Strawberry and raspberry oils had high levels of C18:2 (45.4% and 49.0%) and αC18:3 (29.0% and 33.0%, resp.). Blackcurrant oil was the richest source of γC18:3 (18.5%) and C18:4 (3.6%). Apple oil had high levels of C18:2 (55.5%) and C18:1 (29.4%). Blackcurrant oil had 229.5 mg/100 g of tocochromanols, predominantly γ-tocopherol (117.8 mg/100 g) and α-tocopherol (84.3 mg/100 g). Raspberry oil was rich in γ-, α-, and δ-tocopherol (193.5; 65.6; and 32.2 mg/100 g, resp.). Strawberry oil contained γ- and δ-tocopherol, 49.0 and 6.1 mg/100 g, respectively. Apple contained all isomers of α-, β-, γ-, and δ-tocopherols at 41.7, 62.7, 13.6, and 21.8 mg/100 g, respectively. The level of tocotrienols in the analysed oils ranged from 0.85 to 6.73 mg/100 g. Ten different phytosterols were found in the tested oils. The richest sources of phytosterols were blackcurrant oil (6824.9 g/g) followed by raspberry (5384.1 g/g), strawberry (4643.1 g/g), and apple oil (3460.0 g/g). The dominant compound in the analysed oils was sitosterol, from 2630 g/g in apple oil to 3630 g/g in blackcurrant oil. Marek Pieszka, Władysław Migdał, Robert Gąsior, Magdalena Rudzińska, Dorota Bederska-Łojewska, Magdalena Pieszka, and Paulina Szczurek Copyright © 2015 Marek Pieszka et al. All rights reserved. Sorption Characteristics of Mixed Molecules of Glutaraldehyde from Water on Mesoporous Acid-Amine Modified Low-Cost Activated Carbon: Mechanism, Isotherm, and Kinetics Tue, 13 Jan 2015 06:45:40 +0000 The environmental discharge of inefficiently treated waste solutions of the strong biocide glutaraldehyde (GA) from hospitals has potential toxic impact on aquatic organisms. The adsorption characteristics of mixed polarized monomeric and polymeric molecules of GA from water on mesoporous acid-amine modified low-cost activated carbon (AC) were investigated. It was found that the adsorption strongly depended on pH and surface chemistry. In acidic pH, the adsorption mechanism was elaborated to involve chemical sorption of mainly hydroxyl GA monomeric molecules on acidic surface groups, while in alkaline pH, the adsorption was elaborated to involve both chemical and physical sorption of GA polymeric forms having mixed functional groups (aldehyde, carboxyl, and hydroxyl) on acidic and amine surface groups. The optimum pH of adsorption was about 12 with significant contribution by cooperative adsorption, elucidated in terms of hydrogen bonding and aldol condensation. Freundlich and Dubinin-Radushkevich models were fitted to isotherm data. The adsorption kinetics was dependent on initial concentration and temperature and described by the Elovich model. The adsorption was endothermic, while the intraparticle diffusion model suggested significant contribution by film diffusion. The developed low-cost AC could be used to supplement the GA alkaline deactivation process for efficient removal of residual GA aquatic toxicity. Mukosha Lloyd, Onyango S. Maurice, Ochieng Aoyi, and Taile Y. Leswifi Copyright © 2015 Mukosha Lloyd et al. All rights reserved. Membrane Assisted Simultaneous Extraction and Derivatization with Triphenylphosphine of Elemental Sulfur in Arabian Crude Samples by Gas Chromatography/Mass Spectrometry Mon, 12 Jan 2015 14:13:39 +0000 Determination of trace level elemental sulfur from crude oil samples is a tedious task. Recently, several gas chromatographic methods were reported in which selective triphenylphosphine derivatization of sulfur was used to form triphenylphosphine sulfide. Direct quantitation of elemental sulfur from crude oil requires an efficient sample preparation method. This paper describes how simultaneous extraction derivatization of elemental sulfur was performed for the first time using porous hollow fiber membrane. A thick (0.25 um pore size; 1550 μm wall thickness; and 5500 μm inner diameter) hollow fiber membrane filled with triphenylphosphine (dissolved N-methylpyrrolidone) is used as a solvent bar. The solvent bar is tumbled freely in the crude oil sample; the elemental sulfur was extracted and derivatized. Finally, the derivatized sulfur was analyzed by gas chromatography/mass spectrometry. Various experimental conditions of solvent bar microextraction (SBME) were optimized to achieve higher extraction. The linear range was established between 1 and 50 μg/mL, while a squared regression coefficient was found to be 0.9959 μg/mL. Relative standard deviation (RSD) was below 10%. Relative recoveries were calculated for SBME in crude oil samples and were in the range between 98.2% and 101.2%. Ibrahim Al-Zahrani, Munzir H. Aneel Mohammed, Chanbasha Basheer, Mohammad Nahid Siddiqui, and Abdulrahman Al-Arfaj Copyright © 2015 Ibrahim Al-Zahrani et al. All rights reserved. Design, Synthesis, and Molecular Docking of 1-(1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethylidene)-2-phenylhydrazine as Potent Nonazole Anticandidal Agent Wed, 31 Dec 2014 00:10:49 +0000 1-(1-(4-Chlorophenyl)-2-(phenylsulfonyl)ethylidene)-2-phenylhydrazine (13) was designed and synthesized as potential nonazole anticandidal agent and precisely characterized by IR, 1H NMR, 13C NMR, and ESI-MS. The anti-Candida activity of 13 was evaluated against four Candida species (C. albicans, C. krusei, C. parapsilosis, and C. glabrata). Compound 13 displayed good anticandidal activities (, 0.195, 0.39, and 1.56 μmol/mL, resp.) in comparison with that of the standard drug fluconazole (, inactive, 1.56, and 1.56 μmol/mL, resp.) against C. albicans, C. krusei, C. parapsilosis, and C. glabrata, respectively. A molecular modeling of the newly synthesized compound 13 was built in order to investigate its mode of action towards the prospective target cytochrome P450-dependent enzyme lanosterol 14α-demethylase (PDB-code: 1EA1). The docking results showed a similar binding interaction of 13 and fluconazole at the active site of CYT P450 14α-sterol demethylase. Furthermore, compound 13 showed no cytotoxicity against normal human breast cell line MCF10A. Hazem A. Ghabbour, Maha M. Qabeel, Wagdy M. Eldehna, Abdullah Al-Dhfyan, and Hatem A. Abdel-Aziz Copyright © 2014 Hazem A. Ghabbour et al. All rights reserved. Effects of Surfactants on the Rate of Chemical Reactions Tue, 30 Dec 2014 07:30:36 +0000 Surfactants are self-assembled compounds that depend on their structure and electric charge can interact as monomer or micelle with other compounds (substrates). These interactions which may catalyze or inhibit the reaction rates are studied with pseudophase, cooperativity, and stoichiometric (classical) models. In this review, we discuss applying these models to study surfactant-substrate interactions and their effects on Diels-Alder, redox, photochemical, decomposition, enzymatic, isomerization, ligand exchange, radical, and nucleophilic reactions. B. Samiey, C.-H. Cheng, and J. Wu Copyright © 2014 B. Samiey et al. All rights reserved. Analysis of Puerarin and Chemical Compositions Changes in Kudzu Root during Growth Period Thu, 25 Dec 2014 12:42:11 +0000 The kudzu root is one of the earliest medicinal plants listed in traditional Chinese medicine. In this paper, chemical compositions changes of kudzu roots from one year old to five years old were analyzed with respect to puerarin, acid-insoluble polysaccharides, acid-soluble polysaccharides, reducing sugar, protein, free amino acids, and lipid. In addition, the puerarin content was determined by high performance liquid chromatography (HPLC) method. The results showed that acid-soluble polysaccharides content of kudzu root increased with each growth period. In contrast, the acid-insoluble polysaccharides decreased significantly. The contents of reducing sugar and puerarin in kudzu root decreased significantly during its growth period. Beyond that, the contents of protein, free amino acids, and lipid in kudzu root ranged from 31.8 to 45.8 g/kg, 2.21 to 4.33 g/kg, and 32.2 to 76.9 g/kg, respectively. The trend of protein content coincided with the total content of free amino acids, in contrast to lipid. This paper provides a set of data and the select of kudzu root for the processing and development of new products of kudzu root. Yiguo Zhao, Mei Xu, Zhinneg You, Dongsheng Li, Mingquan Zhou, Yupeng Zhu, and Chao Wang Copyright © 2014 Yiguo Zhao et al. All rights reserved. Dispersive Surface Energy and Acid-Base Parameters of Tosylate Functionalized Poly(ethylene glycol) via Inverse Gas Chromatography Thu, 25 Dec 2014 00:10:22 +0000 An inverse gas chromatographic (IGC) study of the sorption properties of poly(ethylene glycol) modified with tosylate (PEG-TOS) was presented. PEG-TOS was synthesized via the tosylation of the corresponding poly(ethylene glycol) (PEG) with p-toluenesulfonyl chloride in the basic medium. The synthesized PEG-Tos was characterized by FTIR-ATR and 1HNMR techniques. The retention diagrams of n-hexane, n-heptane, n-octane, n-nonane, n-decane, dichloromethane, chloroform, acetone, tetrahydrofuran, ethyl acetate, and ethanol on the PEG and PEG-Tos were plotted at temperatures in K between 303 and 373 by inverse gas chromatography technique. The dispersive component of the surface-free energy, , of studied adsorbent surface was estimated using retention times of different nonpolar organics in the infinite dilution region. Thermodynamic parameters of adsorption (free energy, , enthalpy, , and entropy, ), dispersive components of the surface energies, , and the acid, , and base, , constants for the PEG and PEG-Tos were calculated and the results were discussed. Feyza Sesigur, Dolunay Sakar, Ozlem Yazici, Fatih Cakar, Ozlem Cankurtaran, and Ferdane Karaman Copyright © 2014 Feyza Sesigur et al. All rights reserved. A Validated HPLC-DAD Method for Simultaneous Determination of Etodolac and Pantoprazole in Rat Plasma Tue, 23 Dec 2014 00:10:12 +0000 A simple, sensitive, and accurate HPLC-DAD method has been developed and validated for the simultaneous determination of pantoprazole and etodolac in rat plasma as a tool for therapeutic drug monitoring. Optimal chromatographic separation of the analytes was achieved on a Waters Symmetry C18 column using a mobile phase that consisted of phosphate buffer pH~4.0 as eluent A and acetonitrile as eluent B in a ratio of A : B, 55 : 45 v/v for 6 min, pumped isocratically at a flow rate of 0.8 mL min−1. The eluted analytes were monitored using photodiode array detector set to quantify samples at 254 nm. The method was linear with for PTZ and for ETD at a concentration range of 0.1–15 and 5–50 μgmL−1 for PTZ and ETD, respectively. The limits of detection were found to be 0.033 and 0.918 μgmL−1 for PTZ and ETD, respectively. The method was statistically validated for linearity, accuracy, precision, and selectivity following the International Conference for Harmonization (ICH) guidelines. The reproducibility of the method was reliable with the intra- and interday precision (% RSD) <7.76% for PTZ and <7.58 % for ETD. Ali S. Abdelhameed and Samar A. Afifi Copyright © 2014 Ali S. Abdelhameed and Samar A. Afifi. All rights reserved. Materials Chemistry for Sustainability and Energy Mon, 22 Dec 2014 07:14:17 +0000 Fan Dong, Sirilak Sattayasamitsathit, Yu Xin Zhang, and Ying Zhou Copyright © 2014 Fan Dong et al. All rights reserved. Synthesis and X-Ray Structure of (1Z,2Z)-1,2-Bis(2-(phenylsulfonyl)-1-(4-tolyl)ethylidene)hydrazine Mon, 22 Dec 2014 00:10:20 +0000 The title compound (1Z,2Z)-1,2-bis(2-(phenylsulfonyl)-1-(4-tolyl)ethylidene)hydrazine (5) was prepared, in 78% yield, by the reaction of 2-(phenylsulfonyl)-1-(4-tolyl)ethan-1-one (3) with hydrazine hydrate in acetic acid at 90°C under microwave irradiation in a closed vessel with power 100 W for 3 min. The structure of the newly synthesized compound was established under the basis of its IR, mass, 1H NMR, and X-ray single crystal analysis. The crystal of 5 belongs to monoclinic space group, , with (3) Å, (9) Å, (8) Å, (4)°, , (13) Å3,  Mg m−3,  mm−1, , , and for 1419 observed reflections with . The asymmetric unit of compound 5 contains one molecule with configuration about the C7=N1 and C7A=N1A double bond. This configuration of 5 is stabilized by intramolecular hydrogen bonds C1–H1A⋯N1 and C1A–H1AA⋯N1A. The molecular packing in the crystal structure of 5 is stabilized by intermolecular interactions forming a three-dimensional network. Hatem A. Abdel-Aziz, Hazem A. Ghabbour, Khalid A. Al-Rashood, and Hoong-Kun Fun Copyright © 2014 Hatem A. Abdel-Aziz et al. All rights reserved. Toxicity and Microbial Degradation of Nitrobenzene, Monochloronitrobenzenes, Polynitrobenzenes, and Pentachloronitrobenzene Sun, 21 Dec 2014 06:21:21 +0000 Nitrobenzene and its derivatives (NBDs) are highly toxic compounds that have been released into the environment by anthropogenic activities. Many bacteria and fungi have been well-characterized for their ability to degrade NBDs. The biochemical and molecular characterization of the microbial degradation of NBDs has also been studied. In this review, we have summarized the toxicity and degradation profiles of nitrobenzene, monochloronitrobenzenes, polynitrobenzenes, and pentachloronitrobenzene. This review will increase our current understanding of toxicity and microbial degradation of NBDs. Pankaj Kumar Arora and Hanhong Bae Copyright © 2014 Pankaj Kumar Arora and Hanhong Bae. All rights reserved. The Accumulation and Seasonal Dynamic of the Soil Organic Carbon in Wetland of the Yellow River Estuary, China Thu, 18 Dec 2014 00:10:52 +0000 The wetland of the Yellow River estuary is a typical new coastal wetland in northern China. It is essential to study the carbon pool and its variations for evaluating the carbon cycle process. The study results regarding the temporal-spatial distribution and influential factors of soil organic carbon in four typical wetlands belonging to the Yellow River estuary showed that there was no significant difference in the contents of the surface soil TOC to the same season among the four types of wetlands. For each type of wetlands, the TOC content in surface soils was significantly higher in October than that in both May and August. On the whole, the obvious differences in DOC contents in surface soils were not observed in the different wetland types and seasons. The peak of TOC appeared at 0–10 cm in the soil profiles. The contents of TOC and DOC were significantly higher in salsa than those in reed, suggesting that the rhizosphere effect of organic carbon in salsa was more obvious than that in reed. The results of the principal component analysis showed that the nitrogen content, salinity, bulk density, and water content were dominant influential factors for organic carbon accumulation and seasonal variation. Xianxiang Luo, Leyun Wang, Meng Dun, Jianqiang Yang, and Zhenyu Wang Copyright © 2014 Xianxiang Luo et al. All rights reserved. Synthesis of a Biglucoside and Its Application as Montmorillonite Hydration Inhibitor Tue, 16 Dec 2014 00:10:28 +0000 A biglucoside (BG) was synthesized with glucose and epichlorohydrin as raw materials. The inhibition of BG against montmorillonite swelling was investigated by various methods including montmorillonite linear expansion test, mud ball immersing test, thermogravimetric analysis, and scanning electron microscopy. The results show that the BG has good inhibition ability to the hydration swelling and dispersion of montmorillonite. Under the same condition, the linear expansion ratio of montmorillonite in BG solution is much lower than that of MEG. The particle distribution measurement, thermogravimetric analysis, FT-IR, and scanning electron microscopy results all prove the efficient inhibition of BG. Xin-chun Zhang, Xing-zhi Wang, Gang Chen, Qiang Deng, and Huarui Hao Copyright © 2014 Xin-chun Zhang et al. All rights reserved. Oxidative Cleavage of β-Keto Sulfones via Nitrous Acid Mon, 15 Dec 2014 07:37:59 +0000 The reaction of nitrous acid with 1-aryl-2-(arylsulfonyl)ethanones 3a–e afforded the unexpected arenecarboxylic acids 12a–e, formic acid 14, and benzene/4-toluenesulfinic acid 15a, b through oxidative cleavage reaction. 4-Chlorobenzoic acid (12a), [1,1′-biphenyl]-4-carboxylic acid (12b), 2-naphthoic acid (12c), 2-thiophenecarboxylic acid (12d), and 2-benzofurancarboxylic acid (12e) were isolated in 72%, 62%, 55%, 58%, and 62% yields, respectively. The reported mechanistic pathways proposed the production of 1-aryl-2-(phenyl/tolylsulfonyl)ethane-1,2-dione 7 instead of arenecarboxylic acids 12. A mechanistic pathway to explain the reaction of nitrous acid with 1-aryl-2-(arylsulfonyl)ethanones 3a–e was suggested. In this pathway, the intermediate 1,2-oxazete 10 lost benzene/4-toluenesulfinic acid 15 to produce 1,2-oxazet-3-one 11. Ring cleavage of the latter intermediate afforded the arenecarboxylic acids 12. Hatem A. Abdel-Aziz Copyright © 2014 Hatem A. Abdel-Aziz. All rights reserved. Use of Ethylenediaminetetraacetic Acid as a Scavenger for Chromium from “Wet Blue” Leather Waste: Thermodynamic and Kinetics Parameters Thu, 11 Dec 2014 09:04:19 +0000 One serious consequence of the current consumer society is the transformation of the environment into a waste receptacle arising from human activities. Because of the potential toxic effects of chromium solid waste containing this metal there are grounds for serious concern for the tanning and leather processing industry. The application of tannery waste as organic fertilizer has led to extensive contamination by chromium in agricultural areas and may cause the accumulation of this metal in soils and plants. This work evaluated the extraction of Cr+3 and Cr+6 contained in solid waste from the leather industry through density functional theory (DFT) calculations. The Gibbs free energy calculations reveal that the chelator ethylenediaminetetraacetic acid (EDTA) forms more stable complexes with metal ions of chromium compared with the structures of the complexes [Cr(NTA)(H2O)2] and [Cr-collagen], the latter used to simulate the protein bound chrome leather. José E. Resende, Mateus A. Gonçalves, Luiz C. A. Oliveira, Elaine F. F. da Cunha, and Teodorico C. Ramalho Copyright © 2014 José E. Resende et al. All rights reserved. Interfacial Polycondensation Synthesis of Optically Sensitive Polyurea Microcapsule Wed, 10 Dec 2014 08:56:09 +0000 TMPTA prepolymer resin and photoinitiators of ITX/TPO had been encapsulated in core-shell structured microcapsules as optical responding ingredients based on interfacial polycondensation method, and polyurea structured microcapsule shell had been formed on the sheared O/W interface. The synthesized microcapsule had regular core-shell structure with the diameter of about 0.455 μm and shell thickness of about 40 nm. UV-visible absorption spectra indicated that the encapsulated ITX and TPO photoinitiators could efficiently absorb UV irradiation. Under exposure, the C=C bonds absorbance of the microencapsulated TMPTA decreased rapidly and then nearly unchanged during further exposure after 30 s. This implied that the optical response was achieved by C=C bond cleavage of TMPTA monomer initiated by the photoinitiator radicals, to form network polymers in microcapsules. The relative crosslinking rate was about 50%. Due to core polymer formation, the thermal phase change temperature of exposed microcapsules was narrowed and ranged from 105 to 205°C, compared with that from 125 to 260°C of unexposed microcapsules. Furthermore, the image density decrease at longer irradiation time had also verified the optical responding function of the synthesized microcapsules in macroscopic viewpoint. Weidong Lai, Xinzheng Li, Huiqing Liu, Lu Han, Yajun Zhao, and Xiaowei Li Copyright © 2014 Weidong Lai et al. All rights reserved. Experimental Study on the Cause of Inorganic Scale Formation in the Water Injection Pipeline of Tarim Oilfield Thu, 04 Dec 2014 00:10:15 +0000 Scale formation of water injection pipeline will cause the pipeline to be corroded and increase frictional drag, which will induce the quality and quantity cannot meet the need of oil production process. The cause of scale formation in different oilfield is different because of the complex formation conditions. Taking one operation area of Tazhong oilfield as research object, the authors studied the water quality in different point along water injection pipeline through experiment studies, and analyzed the cause of inorganic scale formation and influence factors. The research results can provide theoretical guidance to anticorrosion and antiscale of oilfield pipeline. Guihong Pei, Chunyang Wang, and Lili Liu Copyright © 2014 Guihong Pei et al. All rights reserved.