Journal of Chemistry The latest articles from Hindawi Publishing Corporation © 2015 , Hindawi Publishing Corporation . All rights reserved. New Approach to Enrich Pasta with Polyphenols from Grape Marc Wed, 25 Nov 2015 14:25:24 +0000 Food industry produces significant amount of waste that represents a problem for the sector. However, by-products are also promising sources of compounds which may be reused for their nutritional properties. The aim of this work is to exploit wine-making by-products, obtaining an extract by ultrasound-assisted extraction only using water as solvent. The characteristics of spaghetti enriched with grape marc were assessed and compared to control samples. In particular, total phenolic and flavonoids contents, the antioxidant activity, the cooking quality, and the sensory acceptability were evaluated at various steps of pasta production. The enriched spaghetti showed higher total phenolic and flavonoids contents and higher antioxidant activity than the control pasta. In addition, low cooking losses were found. In terms of sensory properties fortified pasta is acceptable as the traditional product, thus demonstrating that it is possible to exploit food waste to better satisfy consumer demand for healthy food products in a more sustainable perspective. V. Marinelli, L. Padalino, D. Nardiello, M. A. Del Nobile, and A. Conte Copyright © 2015 V. Marinelli et al. All rights reserved. Synthesis and Characterization of Novel Thieno-Fused Bicyclic Compounds through New Enaminone Containing Thieno[2,3-b]pyridine Scaffold Wed, 25 Nov 2015 11:26:24 +0000 New substituted thieno-fused bicyclic compounds named (1H-pyrazol-3-yl)thieno[2,3-b]pyridin-4(7H)-one derivatives (4a,b), 2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methyl-7-phenylthieno[2,3-b]pyridin-4(7H)-one (5), phenylthieno[2,3-b]pyridin-4(7H)-one derivatives (6a–c, 7a–c, and 8), and 3-(3-methyl-4-oxo-7-phenyl-4,7-dihydrothieno[2,3-b]pyridin-2-yl)-3-oxopropyl 4-chlorobenzoate (9) were synthesized by reacting the new enaminone (3) with different reagents. The chemical structure of the new molecules was determined by means of different spectroscopic methods such as NMR, IR, MS spectrometry, and by CHN analyses. The molecular structure of the 1,1′-(3-methyl-5-(phenylamino)thiophene-2,4-diyl)diethanone (2) was successfully solved by X-ray single crystal. Yahia Nasser Mabkhot, Salah S. Aladdi, S. S. Al-Showiman, A. M. A. Al-Majid, Assem Barakat, Hazem A. Ghabbour, and Mohamed R. Shaaban Copyright © 2015 Yahia Nasser Mabkhot et al. All rights reserved. Calcium Pretreated Hevea brasiliensis Sawdust for Copper Removal: Batch and Column Study Tue, 24 Nov 2015 11:07:01 +0000 Calcium pretreated Hevea brasiliensis sawdust has been used as an effective and efficient adsorbent for the removal of copper ion from the contaminated water. Batch experiment was conducted to check the effect of pH, initial concentration, contact time, and adsorbent dose. The results conclude that adsorption capacity of adsorbent was influenced by operating parameters. Maximum adsorption capacity found from the batch adsorption process was 37.74 mg/g at pH of 5.6. Various isotherm models like Langmuir, Freundlich, and Temkin were used to compare the theoretical and experimental data, whereas the pseudo-first-order, pseudo-second-order, and intraparticle diffusion models were applied to study the kinetics of the batch adsorption process. Dynamic studies were also conducted in packed-bed column using different bed depths and the maximum adsorption capacity of 34.29 was achieved. Characterizations of the adsorbent were done by Fourier transform infrared spectroscopy, scanning electron microscope, and energy dispersive X-ray spectroscopy. Swarup Biswas and Umesh Mishra Copyright © 2015 Swarup Biswas and Umesh Mishra. All rights reserved. Phenolic Compounds and Antioxidant Activity of Juices from Ten Iranian Pomegranate Cultivars Depend on Extraction Mon, 23 Nov 2015 16:07:16 +0000 Phenolic compounds and antioxidant activities of ten juices from arils and whole pomegranate cultivars grown in Iran were studied. Phenolic contents and antioxidant activities of juices from whole pomegranate fruit were significantly higher than juices from pomegranate arils, but the variety has a greater influence than the processing method. The main phenolics in the studied juices were punicalagin A (5.40–285 mg/L), punicalagin B (25.9–884 mg/L), and ellagic acid (17.4–928 mg/L). The major and minor anthocyanins of cyanidin 3,5-diglucoside (0.7–94.7 mg/L), followed by cyanidin 3-glucoside (0.5–52.5 mg/L), pelargonidin 3,5-diglucoside + delphinidin 3-glucoside (0–10.3 mg/L), delphinidin 3,5-diglucoside (0–7.68 mg/L), pelargonidin 3-glucoside (0–9.40 mg/L), and cyanidin-pentoside (0–1.13 mg/L) were identified; the latter anthocyanin as well as cyanidin-pentoside-hexoside and delphinidin-pentoside were detected for the first time in Iranian pomegranates. The total phenolic contents were in the range of 220–2931 mg/100 mL. The results indicate that the pomegranate phenolics are not only influenced by extraction method but also—and even more—affected by the cultivar. Moreover, a good correlation was observed between total phenolic content and ABTS and FRAP methods in all pomegranate juices (>0.90). The results of current research can help to select the pomegranate cultivars for commercial juice production. Hamidreza Akhavan, Mohsen Barzegar, Helmut Weidlich, and Benno F. Zimmermann Copyright © 2015 Hamidreza Akhavan et al. All rights reserved. Study on Molecular Recognition between Euphorbia Factor L713283 and β-Tubulin via Molecular Simulation Methods Mon, 23 Nov 2015 11:57:11 +0000 Euphorbia factor L713283 is a new lathyrane diterpene isolated from Euphorbia lathyris and shows strong anticancer activity. By using molecular similarity analysis, β-tubulin was identified as one of the possible targets of L713283. We further investigated the binding modes of L713283 with β-tubulin using molecular docking and molecular dynamics (MD) simulation methods. The results indicated that the binding site between β-tubulin and L713283 was composed of the four regions, that is, residues Phe20~Glu27, Leu225~Thr232, Phe270~Gly277, and Ile356~Met363. MM/GBSA method was used to calculate the binding free energy and determine the key residues for the association of L713283 with β-tubulin. It was found that nonpolar interactions made the major contributions for the binding. In addition, we compared the binding pocket and motion modes of L713283-free and L713283-bound β-tubulin systems. It is proposed that L713283 may bind to β-tubulin and favor the formation of αβ-tubulin dimmer. This work provides possible explanation for molecular mechanism of the anticancer agent L713283, and the strategy used here could benefit the investigation of possible target profile for those bioactive agents with unknown mechanisms. Shan Chang, Hong-qiu He, Ren Kong, Zhen-jian Xie, and Jian-ping Hu Copyright © 2015 Shan Chang et al. All rights reserved. Continuous Fixed-Bed Column Study and Adsorption Modeling: Removal of Lead Ion from Aqueous Solution by Charcoal Originated from Chemical Carbonization of Rubber Wood Sawdust Mon, 23 Nov 2015 09:34:56 +0000 The efficiency of chemically carbonized rubber wood sawdust for the removal of lead ion from the aqueous stream was investigated by column process. Chemically carbonized rubber wood sawdust was prepared by treating the sawdust with H2SO4 and HNO3. Maximum removal of lead ion in column process was found as 38.56 mg/g. The effects of operating parameters such as flow rate, bed depth, concentration, and pH were studied in column mode. Experimental data confirmed that the adsorption capacity increased with the increasing inlet concentration and bed depth and decreased with increasing flow rate. Thomas, Yoon-Nelson, and Adams-Bohart models were used to analyze the column experimental data and the relationship between operating parameters. Chemically carbonized rubber wood sawdust was characterized by using Fourier transform infrared spectroscopy. Scanning electron microscope was also utilized for morphological analysis of the adsorbent. Furthermore X-ray fluorescence spectrum analysis and energy dispersive X-ray spectroscopy were also used for the confirmation of lead adsorption process. Swarup Biswas and Umesh Mishra Copyright © 2015 Swarup Biswas and Umesh Mishra. All rights reserved. Effect of Zn/ZSM-5 and FePO4 Catalysts on Cellulose Pyrolysis Sun, 22 Nov 2015 12:07:43 +0000 A series of Zn/ZSM-5 catalysts with different Zn contents and FePO4 were used to pyrolyze cellulose to produce value added chemicals. The nature of these catalysts was characterized by ammonia-temperature programmed desorption (NH3-TPD), IR spectroscopy of pyridine adsorption, and X-ray diffraction (XRD) techniques. Noncatalytic and catalytic pyrolytic behaviors of cellulose were studied by thermogravimetric (TG) technique. The pyrolytic liquid products, that is, the biooils, were analyzed by gas chromatography-mass spectrometry (GC-MS). The major components of the biooils are anhydrosugars such as levoglucosan (LGA), 1,6-anhydro-β-D-glucofuranose (AGF), levoglucosenone (LGO, 1,6-anhydro-3,4-dideoxy-β-D-pyranosen-2-one), and 1,4:3,6-dianhydro-α-D-glucopyranose (DGP), as well as furan derivatives, alcohols, and so forth. Zn/ZSM-5 samples with Brønsted and Lewis acid sites and the FePO4 catalyst with Lewis acid sites were found to have a significant effect on the pyrolytic behaviors of cellulose and product distribution. These results show that Brønsted and Lewis acid sites modified remarkably components of the biooil, which could promote the production of furan compounds and LGO. On the basis of the findings, a model was proposed to describe the pyrolysis pathways of cellulose catalyzed by the solid acid catalysts. Haian Xia, Xiaopei Yan, Siquan Xu, Li Yang, Yuejie Ge, Jing Wang, and Songlin Zuo Copyright © 2015 Haian Xia et al. All rights reserved. Impact of Two Commercial In Vivo Transport Methods on Physiological Condition of the Japanese Oyster (Crassostrea gigas) Sun, 22 Nov 2015 11:04:32 +0000 The effect of two commercial in vivo transport methods (cardboard boxes and ixtle sacks) on the physiological condition of Japanese oyster (Crassostrea gigas) was evaluated. Total carbohydrates, glycogen, adenosine 5′-triphosphate (ATP) and related products, adenylate energy charge (AEC), and pH of transported oysters in simulated conditions were determined. The results showed that the ATP initial concentration was low from the beginning of the experiment, and AEC decreased in both transport methods. With respect to the total carbohydrates and glycogen, the samples maintained in cardboard box and ixtle sack decreased during transport, respectively. Similarly, significant changes in pH were observed for both methods. Our results showed that physiologically the best in vivo transporting method for Japanese oyster is in cardboard boxes. Edgar Iván Jiménez-Ruiz, Enrique Márquez-Ríos, José Luis Cárdenas-López, Nathaly Montoya-Camacho, Francisco Javier Castillo-Yáñez, María Elena Duarte-Figueroa, Saul Ruiz-Cruz, Rosendo Balois-Morales, and Víctor Manuel Ocaño-Higuera Copyright © 2015 Edgar Iván Jiménez-Ruiz et al. All rights reserved. Visible Light Catalytic Degradation of Aniline Wastewater over Multishaped BiOBr Microcrystals Thu, 19 Nov 2015 16:00:08 +0000 The photooxidation process of aniline-containing simulated wastewater under visible light irradiation over BiOBr microcrystal grains with different shapes was studied. The distinctive surface microstructures of the BiOBr microcrystals, like clustered flower petals and quadrate lamellas, were produced by using imidazole ionic liquid and inorganic bromide as Br sources and by solvothermal and hydrothermal route, respectively. The ionic liquid not only can impact the products’ morphology, but also can largely improve the photocatalytic activity of the BiOBr microcrystals due to the soft templating effect. The top degradation ratio of the aniline wastewater photocatalyzed by lamellar BiOBr crystals is 23.71%, but the equivalent value photocatalyzed by flower petal-like BiOBr crystals is almost twice as much; that is, it reaches 46.51%. The photodegradation effect and mechanism over differently shaped BiOBr microcrystals have been compared. Jun Zhang, Huabo Li, Hairui Yao, and Hao Zhang Copyright © 2015 Jun Zhang et al. All rights reserved. Detection of Pb, Ba, and Sb in Blowfly Larvae of Porcine Tissue Contaminated with Gunshot Residue by ICP OES Sun, 15 Nov 2015 07:14:53 +0000 Lead (Pb), barium (Ba), and antimony (Sb) concentrations were monitored in flies larvae (immature Chrysomya albiceps) contaminated with gunshot residue (GSR) from .40 caliber Taurus pistols during the period of 2 to 12 days after the death of a female pig in decomposition, during the winter, under the influence of rain and high relative humidity. The samples were also analyzed by the colorimetric test using sodium rhodizonate (Feigl-Suter reaction). It was possible to detect and quantify the three metals of interest by inductively coupled plasma-optical emission spectrometry (ICP OES), where the concentrations of all three elements kept practically constant during the putrefaction stage. Minimum ([Pb] = 382.26 μg L−1; [Ba] = 140.50 μg L−1; [Sb] = 39.18 μg L−1) and maximum ([Pb] = 522.66 μg L−1; [Ba] = 190.30 μg L−1; [Sb] = 56.14 μg L−1) concentrations were found during the third and fifth days after death, respectively. ICP OES presented higher sensitivity in metals determination when compared to the conventional colorimetric test, which showed negative result for the GSR extracts obtained from the immature Chrysomya albiceps. Larissa C. Motta, Gabriela Vanini, Carlos A. Chamoun, Rayana A. Costa, Boniek G. Vaz, Helber B. Costa, João F. P. Bassane, Maria Tereza W. D. Carneiro, and Wanderson Romão Copyright © 2015 Larissa C. Motta et al. All rights reserved. Fabrication of Ag and Ni Nanocatalyst with Enhanced Efficiency Thu, 12 Nov 2015 11:14:11 +0000 Metal nanoparticles (NPs) have received significant attention in last decade because of their unique properties. In this work, two different metal NPs have been prepared and their catalytic activities are compared with conventional catalyst. In first case, Ag NPs were synthesized by chemical reduction method in ethanolic medium. Synthesized Ag NPs were characterized by scanning electron microscope (SEM) images which indicated an average particle size of Ag around 250 nm. The catalytic activity of Ag NPs was investigated for the oxidative mineralization of methylene blue dye. Comparative studies suggested that Ag NPs possess enhanced catalytic activity compared to bulk Ag. In second approach, supported Ni NPs were fabricated using Al2O3 as supporting surface; that is, Ni NPs get adsorbed on Al2O3 through in situ reduction reaction. Oxidative degradation of methylene blue indicated that catalytic activity of supported Ni/Al2O3 is about five times higher than simple Ni as catalyst. Tajamal Hussain, Mira Tul Zubaida Butt, Mirza Nadeem Ahmed, Muhammad Hamid Raza, Zahoor Hussain Farooqi, Khurram Shehzad, Adnan Mujahid, and Rabia Batool Copyright © 2015 Tajamal Hussain et al. All rights reserved. Preparation and Crystallization Property of Ternary Composites of WBG/AA-RCC/PP Thu, 12 Nov 2015 09:59:00 +0000 A series of ternary composites of WBG/AA-RCC/PP were prepared and their crystallization behaviors were investigated by XRD and DSC. The results indicate that WBG and AA-RCC affect the crystallization of PP matrix with a mutual inhibition effect. This effect is enhanced with increasing content of WBG and induces the growth of crystal. AA-RCC promotes the heterogeneous nucleation of α crystal and offers a template for α crystal growth along a specific lattice plane and promotes the epitaxial crystallization of PP matrix, while the specific arranged α crystal could induce the formation of β crystal. Jiang Zhu, Haitao Ni, Xiaoqing Liao, and Xiang Liu Copyright © 2015 Jiang Zhu et al. All rights reserved. The Use of Al, Cu, and Fe in an Integrated Electrocoagulation-Ozonation Process Wed, 11 Nov 2015 11:46:44 +0000 This study presents the effect of supplying electrochemically generated metallic ions (Al, Cu, and Fe) during an ozonation process for treating industrial wastewater. The pollutant removal efficiencies of the electrocoagulation (EC), ozonation, and coupled EC-ozonation processes were examined by the decrease in chemical oxygen demand (COD) as a function of treatment time. The EC was performed in a raw industrial wastewater, which has contributions from 39 chemical, 34 metal finishing, 22 textile, 11 leather, and 5 automotive plants, at pH (7.3) using a current density of 150 A/m2 for 60 min, giving a 45% reduction in COD. The ozonation process was more effective with the same wastewater, reducing the COD by 52% after 60 min of treatment. Combining the EC and ozonation methods resulted in a synergistic process that improves the reduction of COD in a shorter time. In just 12 min the integrated process reduced the COD by 88%. Thus, the combination of EC and ozonation processes improves noticeably the wastewater quality, decreasing the treatment time and also reducing the sludge production. Carlos E. Barrera Díaz and Nelly González-Rivas Copyright © 2015 Carlos E. Barrera Díaz and Nelly González-Rivas. All rights reserved. 2-Mercaptobenzimidazole, 2-Mercaptobenzothiazole, and Thioglycolic Acid in an Electroless Nickel-Plating Bath Tue, 10 Nov 2015 11:50:37 +0000 The use of three different materials, 2-mercaptobenzimidazole, 2-mercaptobenzothiazole, and thioglycolic acid, was investigated to improve the performance of electroless nickel-plating baths. By changing the concentrations of these materials, sample plates were coated. Optical microscope images were obtained by selecting representative coated plates. From the results of the investigations, the effects of these materials on electroless nickel plating were observed, and the most appropriate amounts of these materials for nickel plating were determined. Moreover, the nickel plating speed observed with the bath solution containing 2-mercaptobenzimidazole, 2-mercaptobenzothiazole, and thioglycolic acid is higher than that in the case of traditional electroless plating baths, but the nickel consumption amount in the former case is lower. In order to minimize the waste water generated from electroless nickel-plating baths, we determined the lowest amounts of the chemicals that can be used for the concentrations reported in the literature. Ahmet Ozan Gezerman and Burcu Didem Çorbacıoğlu Copyright © 2015 Ahmet Ozan Gezerman and Burcu Didem Çorbacıoğlu. All rights reserved. An Improved CO2-Crude Oil Minimum Miscibility Pressure Correlation Tue, 10 Nov 2015 11:49:40 +0000 Minimum miscibility pressure (MMP), which plays an important role in miscible flooding, is a key parameter in determining whether crude oil and gas are completely miscible. On the basis of 210 groups of CO2-crude oil system minimum miscibility pressure data, an improved CO2-crude oil system minimum miscibility pressure correlation was built by modified conjugate gradient method and global optimizing method. The new correlation is a uniform empirical correlation to calculate the MMP for both thin oil and heavy oil and is expressed as a function of reservoir temperature, C7+ molecular weight of crude oil, and mole fractions of volatile components (CH4 and N2) and intermediate components (CO2, H2S, and C2~C6) of crude oil. Compared to the eleven most popular and relatively high-accuracy CO2-oil system MMP correlations in the previous literature by other nine groups of CO2-oil MMP experimental data, which have not been used to develop the new correlation, it is found that the new empirical correlation provides the best reproduction of the nine groups of CO2-oil MMP experimental data with a percentage average absolute relative error (%AARE) of 8% and a percentage maximum absolute relative error (%MARE) of 21%, respectively. Hao Zhang, Dali Hou, and Kai Li Copyright © 2015 Hao Zhang et al. All rights reserved. Synthesis of Water-Soluble Iridium (III)-Containing Nanoparticles for Biological Applications Mon, 09 Nov 2015 09:49:05 +0000 Water-soluble nanoparticles (Ir/PGlc-NP, Ir/β-1,3-glucan-NP) based on water-soluble glycopolymers (PGlc), β-1,3-glucan polysaccharide, and conjugated phosphorescent Ir (III) complexes were successfully synthesized by self-assembly. The obtained nanoparticles have good spherical morphological characterization with a mean diameter of 50 nm measured by TEM. Ir/PGlc-NP and Ir/β-1,3-glucan-NP showed the same emission maxima at 565 nm in aqueous solution and both caused effective apoptosis and death of HepG2 and Hela cells after being irradiated at 445 nm for 30 min in vitro. Fluorescence cellular imaging was conducted by confocal laser scanning microscopy (CLSM) using HepG2 cells as the model cell in which the nanoparticles had successfully entered into the cytoplasm with high brightness. Furthermore, after injecting the nanoparticles into live mice in vivo, the real-time fluorescence imaging as well as the nanoparticles distribution in organs at 24 hours after administration indicated that these nanoparticles can serve as fluorescent imaging contrast for further biological applications. Huanzhi Hou, Pengfei Sun, Quli Fan, Xiaomei Lu, Cheng Xue, Yixue Zhang, Sichao Tian, and Wei Huang Copyright © 2015 Huanzhi Hou et al. All rights reserved. Effects of Macro- and Microelements in Soil of Rose Farms in Taif on Essential Oil Production by Rosa damascena Mill. Sun, 08 Nov 2015 13:06:30 +0000 Rose is one of the most economically important ornamental crops in the world. In this study, we analyzed nine macro- and microelements in soils and petals of R. damascena Mill. cultivated in Shafa and Hada mountains. The amounts of the investigated macro- and microelements varied from one soil or petal sample to another and they were generally higher in most soil and petal samples of Shafa compared to Hada. On the other hand, the levels of the investigated elements in petal samples were not dependent on their levels in soil samples. While water extracts of the soil of farms of Shafa were slightly alkaline (pH 7.69), they were moderately alkaline (pH 8.04) in Hada farms. The amounts of oil produced by rose petals of Hada were relatively larger than those of Shafa. Amongst the five investigated constituents of the volatile oil of roses, the amounts of citronellol, geraniol, and eugenol were significantly larger in the volatile oil of rose petals of Hada compared to Shafa. This study suggests that the ecology of roses of both Hada and Shafa mountains is different and this is most likely reflected on the amount of volatile oil and its constituents. Therefore, further integrated multidisciplinary research correlating rose ecology, agronomy, and essential oil yield is highly recommended. Mohamed Shohayeb, Hassan Arida, El-Sayed S. Abdel-Hameed, and Saleh Bazaid Copyright © 2015 Mohamed Shohayeb et al. All rights reserved. Interspecific and Intersexual Differences in the Chemical Composition of Floral Scent in Glochidion Species (Phyllanthaceae) in South China Sun, 08 Nov 2015 11:45:30 +0000 Plants of the Glochidion (Phyllanthaceae) genus are pollinated exclusively by host-specific Epicephala (Gracillariidae) moths. Floral scent has been thought to play key role in the obligate pollination mutualism between Glochidion plants and Epicephala moths, but few studies have been reported about chemical variation in floral volatiles of Glochidion species in China. Floral volatiles of male and female flowers of five Glochidion species in south China were collected by dynamic headspace absorption technique and then were chemically analyzed by using gas chromatography-mass spectrometry. A total of 69 compounds were identified from floral scents of five investigated species. Glochidion hirsutum and G. zeylanicum showed no qualitative differences in floral scent, whereas there were clear variations of floral scent among other species (G. eriocarpum, G. daltonii, and G. sphaerogynum) and also they distinctly differed from these two species. Male flowers emitted significantly more scent than female flowers. Glochidion plants exhibited qualitative and quantitative differences in floral scent between two sexes of flowers. The findings suggest that the volatile variation of floral scent among Glochidion species reflects adaptations to specific pollinators. Sexual dimorphism in floral scent has evolved to signal alternative rewards provided by each sex to Epicephala moths. Daihong Huang, Fuchen Shi, Minwei Chai, Ruili Li, and Houhun Li Copyright © 2015 Daihong Huang et al. All rights reserved. Synthesis and Preliminary Characterization of a PPE-Type Polymer Containing Substituted Fullerenes and Transition Metal Ligation Sites Thu, 05 Nov 2015 14:29:27 +0000 A substituted fullerene was incorporated into a PPE-conjugated polymer repeat unit. This subunit was then polymerized via Sonogashira coupling with other repeat units to create polymeric systems approaching 50 repeat units (based on GPC characterization). Bipyridine ligands were incorporated into some of these repeat units to provide sites for transition metal coordination. Photophysical characterization of the absorption and emission properties of these systems shows excited states located on both the fullerene and aromatic backbone of the polymers that exist in a thermally controlled equilibrium. Future work will explore other substituted polyaromatic systems using similar methodologies. Corinne A. Basinger, Kaitlin Sullivan, Sarah Siemer, Stuart Oehrle, and Keith A. Walters Copyright © 2015 Corinne A. Basinger et al. All rights reserved. Determination of Volatile Compounds in Foxtail Millet Sake Using Headspace Solid-Phase Microextraction and Gas Chromatography-Mass Spectrometry Wed, 04 Nov 2015 11:42:01 +0000 The volatile compounds in foxtail millet sake were extracted by headspace solid-phase microextraction (HS-SPME) and analyzed using gas chromatography-mass spectroscopy (GC-MS). Different methods of sample preparation were used to optimize this method (SPME fiber types, sample amount, extraction time, extraction temperature, content of NaCl, and rotor speed). For final method of sample preparation, 8 mL of sake was placed in a 15 mL headspace vial with addition of 1.5 g of NaCl; a 50/30 μm DVB/CAR/PDMS SPME fiber was used for extraction at 50°C for 30 min with 10 rpm continuous stirring. A total of 41 volatile compounds were identified from the sake sample, including 9 esters, 6 alcohols, 4 acids, 4 aldehydes, 9 hydrocarbons, 7 benzene derivatives, and 2 others. The main volatile compounds were ethyl acetate, phenylethyl alcohol, butanedioic acid diethyl ester, and hexadecane. According to their odors active values (OAVs), 10 volatile compounds were established to be odor active compounds and to contribute to the typical foxtail millet sake aroma. Hexanoic acid ethyl ester was the most prominent odor active compound. Jingke Liu, Wei Zhao, Shaohui Li, Aixia Zhang, Yuzong Zhang, and Songyan Liu Copyright © 2015 Jingke Liu et al. All rights reserved. Computer Simulation of Amino Acid Oligomerization in Aqueous Solutions Induced by Condensing Agent Thu, 29 Oct 2015 06:57:57 +0000 Physical features of the amino acid oligomerization were studied. Growth model of the L-Glu monomer chain induced by the condensing agent in the aqueous solutions with and without metal ions was proposed. Computer simulation of oligomerization process was conducted and from the comparison of the calculated and experimental data attachment energy of the Leuchs anhydride of L-Glu to the oligomer was estimated. Maxim Lubov, Yuri Trushin, Igor Eliseev, Ivan Terterov, and Michael Dubina Copyright © 2015 Maxim Lubov et al. All rights reserved. Evaluation of the Stability of the Total Antioxidant Capacity, Polyphenol Contents, and Starch Hydrolase Inhibitory Activities of Kombucha Teas Using an In Vitro Model of Digestion Tue, 27 Oct 2015 13:57:38 +0000 The objective of this study was to evaluate and compare antioxidant and starch hydrolase inhibitory activity of three different types of Kombucha beverages prepared by three pellicles with different microbial compositions. The fermentation process was carried out for 7 days and the assessments of antioxidant and starch hydrolase inhibitory activities as well as tea phenolic compounds were carried out. These parameters were also evaluated after subjecting the final fermented samples to gastric and duodenal digestion in an in vitro digestion model. The pH had a statistically significant decrease during the period of fermentation. The total phenolics content and antioxidant activities had increased during the fermentation process as well as when subjected to digestion. The starch hydrolase inhibitory activities also increased in a similar manner during the different phases. The α-amylase and α-glucosidase inhibitory activities showed statistically significant increases as the fermentation progressed, while an increase was observed after being subjected to pancreatic and duodenal digestion as well. All three types of tea showed a higher α-amylase inhibitory activity than α-glucosidase inhibitory activity. Mindani I. Watawana, Nilakshi Jayawardena, Shakkya J. Ranasinghe, and Viduranga Y. Waisundara Copyright © 2015 Mindani I. Watawana et al. All rights reserved. High Operating Voltage Supercapacitor Using PPy/AC Composite Electrode Based on Simple Dipping Method Tue, 27 Oct 2015 09:18:55 +0000 As various wearable devices are emerging, self-generated power sources, such as piezoelectric generators, triboelectric generators, and thermoelectric generators, are of interest. To adapt self-generated power sources for application devices, a supercapacitor is necessary because of the short generation times (1–10 ms) and low generated power (1–100 μW) of self-generated power sources. However, to date, supercapacitors are too large to be adapted for wearable devices. There have been many efforts to reduce the size of supercapacitors by using polypyrrole (PPy) for high energy supercapacitor electrodes. However, these supercapacitors have several disadvantages, such as a low operating voltage due to the use of an aqueous electrolyte, and complex manufacturing methods, such as the hydrogel and aerosol methods. In particular, the low operating voltage (~1.0 V) is a significant issue because most electronic components operate above 3.0 V. In this study, we successfully demonstrated the high operating voltage (3.0 V) of a supercapacitor using a PPy/activated carbon (AC) composite electrode based on the chemical polymerization of the PPy by simple dipping. In addition, a twofold enhancement of its energy density was achieved compared with conventional supercapacitors using AC electrodes. Kyoungho Kim Copyright © 2015 Kyoungho Kim. All rights reserved. Nutritional Composition, -Glucosidase Inhibitory and Antioxidant Activities of Ophiopogon japonicus Tubers Mon, 26 Oct 2015 06:47:51 +0000 Ophiopogon japonicus tubers have been widely used as food and traditional Chinese medicine in China. However, their nutritional composition has not been fully reported yet. This study aimed to analyze the nutritional composition of O. japonicus tubers. The α-glucosidase inhibitory and antioxidant activities of the extracts obtained from O. japonicus tubers were also evaluated by in vitro assays. The results indicated that O. japonicus tubers are rich in carbohydrates, proteins, minerals, and amino acids. Among four extracts, the n-butanol fraction (nBF) and chloroform/methanol extract (CME) of O. japonicus tubers had high amounts of total phenolic and flavonoid contents and exhibited good α-glucosidase inhibitory and antioxidant activities. The α-glucosidase inhibition of nBF was higher than acarbose. Overall, O. japonicus tubers are full of nutritional compounds and have good α-glucosidase inhibitory and antioxidant activities. Yancui Wang, Feng Liu, and Zongsuo Liang Copyright © 2015 Yancui Wang et al. All rights reserved. Antioxidant Peptide Derived from Spirulina maxima Suppresses HIF1α-Induced Invasive Migration of HT1080 Fibrosarcoma Cells Thu, 22 Oct 2015 13:24:49 +0000 Hypoxia causes the malignant progression of tumor cells; hence, it has been considered a central issue that must be addressed for effective cancer therapy. The initiation of tumor metastasis requires invasive cell migration. Here, we show that an antioxidant peptide derived from Spirulina maxima suppresses hypoxia-induced invasive migration of HT1080 human fibrosarcoma cells. HT1080 cells treated with a hypoxia-inducing agent, CoCl2, exhibited an increase in invasive migration and intracellular reactive oxygen species (ROS), which is associated with an increase in the expression of hypoxia-induced factor 1α (HIF1α) accompanied by the activation of PI3K/Akt and ERK1/2. The inhibition of PI3K/Akt and ERK1/2 with specific inhibitors diminished the CoCl2-induced increase in HIF1α expression and invasive cell migration. Moreover, CoCl2-induced HIF1α expression was associated with an increase in the expression of molecules downstream of β-integrin, such as N-cadherin, vimentin, and β-catenin. Therefore, the S. maxima peptide effectively attenuated the CoCl2-induced ROS generation and downregulated the HIF1α signaling pathway involving PI3K/Akt, ERK1/2, and β-integrin in cells. These results suggest that the S. maxima antioxidant peptide downregulates the HIF1α signaling pathway necessary for hypoxia-induced invasive migration of HT1080 cells by attenuating intracellular ROS. S. maxima peptide may be an effective constituent in antitumor progression products. Won Suk Kim, Won Kyo Jung, and Sun Joo Park Copyright © 2015 Won Suk Kim et al. All rights reserved. Simulating Molecular Interactions of Carbon Nanoparticles with a Double-Stranded DNA Fragment Thu, 22 Oct 2015 08:33:45 +0000 Molecular interactions between carbon nanoparticles (CNPs) and a double-stranded deoxyribonucleic acid (dsDNA) fragment were investigated using molecular dynamics (MD) simulations. Six types of CNPs including fullerenes (C60 and C70), () single-walled carbon nanotube (SWNT), () double-walled carbon nanotube (DWNT), graphene quantum dot (GQD), and graphene oxide quantum dot (GOQD) were studied. Analysis of the best geometry indicates that the dsDNA fragment can bind to CNPs through pi-stacking and T-shape. Moreover, C60, DWNT, and GOQD bind to the dsDNA molecules at the minor groove of the nucleotide, and C70, SWNT, and GQD bind to the dsDNA molecules at the hydrophobic ends. Estimated interaction energy implies that van der Waals force may mainly contribute to the mechanisms for the dsDNA-C60, dsDNA-C70, and dsDNA-SWNT interactions and electrostatic force may contribute considerably to the dsDNA-DWNT, dsDNA-GQD, and dsDNA-GOQD interactions. On the basis of the results from large-scale MD simulations, it was found that the presence of the dsDNA enhances the dispersion of C60, C70, and SWNT in water and has a slight impact on DWNT, GQD, and GOQD. Zhuang Wang, Hao Fang, Se Wang, Fan Zhang, and Degao Wang Copyright © 2015 Zhuang Wang et al. All rights reserved. Effect of Graphene Nanosheets on the Morphology, Crystallinity, and Thermal and Electrical Properties of Super Tough Polyamide 6 Using SEBS Compounds Thu, 22 Oct 2015 06:14:26 +0000 Super tough polyamide 6 was prepared by using SEBS and effect of SEBS-g-MA as a compatibilizer of PA6/SEBS matrix on mechanical properties was investigated. Thus super tough polyamide 6/graphene nanocomposites were produced using graphene nanosheets (GNs) through the melt compounding method. To compare the effectiveness of graphene, effects of graphite and carbon black (the other carbon structures) are also studied on the same matrix. The effects of graphene on crystallinity, improvements of morphology, and thermal and electrical properties of the nanocomposites were researched and compared with similar samples of graphite and carbon black. Due to the reaction between the maleic anhydride groups of SEBS and amine groups of nylon chains during the melt mixing process, super tough polyamide 6 was produced with high impact and tensile strength. The most important results of this study can be noted as an increase in the electrical conductivity and thermal stability by adding graphene to PA6/SEBS blend. Also the effect of graphene compatibility on PA6/SEBS/SEBS-g-MA blend was investigated with studying morphology. Farzaneh Alirezaei Hoor, Jalil Morshedian, Shervin Ahmadi, Mohammad Rakhshanfar, and Alireza Bahramzadeh Copyright © 2015 Farzaneh Alirezaei Hoor et al. All rights reserved. Transport Phenomena in Porous Media and Fractal Geometry Mon, 12 Oct 2015 12:43:11 +0000 Peng Xu, Jianchao Cai, Agus Pulung Sasmito, Sachin Vinayak Jangam, and Boming Yu Copyright © 2015 Peng Xu et al. All rights reserved. Conductive Composite Biosensor System for Electrochemical Indinavir Drug Detection Mon, 12 Oct 2015 12:28:14 +0000 Indinavir is a protease inhibitor antiretroviral (ARV) drug, which forms part of the highly active antiretroviral therapy during the treatment of HIV/AIDS. Indinavir undergoes first-pass metabolism through the cytochrome P450 (CYP) enzymes in the human liver, of which CYP3A4 is the most influential isoenzyme. Multidrug combination therapy and, as such, therapeutic drug monitoring (TDM) during HIV/AIDS treatment are therefore critical, to prevent adverse interactions. The conventional sensitive and specific assays available for quantifying ARV drugs, however, suffer from distinct disadvantages. In this regard, biosensors can be used to provide real time information on the metabolic profile of the drug. In this study, a biosensor with cobalt(III) sepulchrate trichloride as diffusional mediator was constructed. The biosensor platform consisted of CYP3A4 immobilized onto a gold nanoparticle (GNP) overoxidized polypyrrole (OvOxPpy) carrier matrix. The biosensor exhibited reversible electrochemistry, with formal potential determined as −624 ± 5 mV, from voltammetric analysis, with overall electron transfer being diffusion controlled. The biosensor showed typical electrocatalytic response to dioxygen (O2), exemplified by the distinct increase in the cathodic peak current (). A concentration-dependent increase in was observed in response to consecutive additions of Indinavir. Natasha Ross, Nicolette Hendricks-Leukes, Rachel Fanelwa Ajayi, Priscilla Baker, and Emmanuel I. Iwuoha Copyright © 2015 Natasha Ross et al. All rights reserved. Experimental Investigation of Effect on Hydrate Formation in Spray Reactor Mon, 12 Oct 2015 08:48:02 +0000 The effects of reaction condition on hydrate formation were conducted in spray reactor. The temperature, pressure, and gas volume of reaction on hydrate formation were measured in pure water and SDS solutions at different temperature and pressure with a high-pressure experimental rig for hydrate formation. The experimental data and result reveal that additives could improve the hydrate formation rate and gas storage capacity. Temperature and pressure can restrict the hydrate formation. Lower temperature and higher pressure can promote hydrate formation, but they can increase production cost. So these factors should be considered synthetically. The investigation will promote the advance of gas storage technology in hydrates. Jianzhong Zhao, Yaqin Tian, Yangsheng Zhao, and Wenping Cheng Copyright © 2015 Jianzhong Zhao et al. All rights reserved.