Sorption of lead from aqueous solution by chemically modified carbon adsorbents.

PubMed

Nadeem, Muhammad; Mahmood, A; Shahid, S A; Shah, S S; Khalid, A M; McKay, G

2006-12-01

An indigenously prepared, steam activated and chemically modified carbon from husk and pods of Moringa oleifera (M. oleifera), an agricultural waste, was comparatively examined as an adsorbent for the removal of lead from aqueous solutions. Studies were conducted as a function of contact time, initial metal concentration, dose of adsorbent, agitation speed, particle size and pH. Maximum uptake capacities were found to be, 98.89, 96.58, 91.8, 88.63, 79.43% for cetyltrimethyl ammonium bromide (CTAB), phosphoric, sulfuric, hydrochloric acid treated and untreated carbon adsorbents, respectively. Bangham, pseudo-first- and second-order, intra-particle diffusion equations were implemented to express the sorption mechanism by utilized adsorbents. Adsorption rate of lead ions was found to be considerably faster for chemically modified adsorbents than unmodified. The results of adsorption were fitted to both the Langmuir and Freundlich models. Satisfactory agreement between the metal uptake capacities by the adsorbents at different time intervals was expressed by the correlation coefficient (R(2)). The Langmuir model represented the sorption process better than the Freundlich one, with R(2) values ranging from 0.994 to 0.998.

Removal of р-nitrophenol from aqueous solution by magnetically modified activated carbon

NASA Astrophysics Data System (ADS)

Han, Shuai; Zhao, Feng; Sun, Jian; Wang, Bin; Wei, Rongyan; Yan, Shiqiang

2013-09-01

Activated carbon was modified with γ-Fe2O3 nanoparticles, using the chemical co-precipitation technique and the carboxylic acid vapor treatment technique. Two magnetic composites were characterized and compared by Fourier Transform Infrared spectroscopy, X-ray diffractometry, vibrating sample magnetometry and nitrogen adsorption-desorption. Then the two materials were used to remove p-nitrophenol in water. The equilibrium data revealed that the Langmuir isotherm was better in fitting the experiment result than the Freundlich isotherm, and the sorption capacity of the nanocomposite made by the chemical co-precipitation technique was higher than that of the other one. We suggest that the chemical co-precipitation technique is a more efficient and practical method to produce magnetically modified activated carbon.

Surface Modification of Polyester Fiber with Perfluorooctyltrimethoxysilane

NASA Astrophysics Data System (ADS)

Wang, Xiangcheng; Liu, Yadong; Li, Dan; Tie, Zihan

2018-05-01

An excellent modified polyester fiber was prepared via chemical grafting between polyester fiber and perfluorooctyltrimethoxysilane (FAS-17), or silane coupler (KH-570), or Titanate coupler (DN-101) in isopropyl alcohol aqueous solution. Volume ratio of isopropyl alcohol in aqueous solution was 50:50, the mass concentration of FAS-17 is 2%, reacting on polyester fiber modified for 24h at 60 °C, the polyester fiber contact angle to water was 145 °, and the contact angle to peanut oil was 118 °, with excellent performance of amphiphobic property. KH-570 and DN-101 modified polymer fiber to be hydrophobic properties nearly as FAS-17, but modified polyester fiber have no amphiphobic property.

Applicability of vacuum impregnation to modify physico-chemical, sensory and nutritive characteristics of plant origin products--a review.

PubMed

Radziejewska-Kubzdela, Elżbieta; Biegańska-Marecik, Róża; Kidoń, Marcin

2014-09-19

Vacuum impregnation is a non-destructive method of introducing a solution with a specific composition to the porous matrices of fruit and vegetables. Mass transfer in this process is a result of mechanically induced differences in pressure. Vacuum impregnation makes it possible to fill large volumes of intercellular spaces in tissues of fruit and vegetables, thus modifying physico-chemical properties and sensory attributes of products. This method may be used, e.g., to reduce pH and water activity of the product, change its thermal properties, improve texture, color, taste and aroma. Additionally, bioactive compounds may be introduced together with impregnating solutions, thus improving health-promoting properties of the product or facilitating production of functional food.

Stable supersaturated aqueous solutions of silatecan 7-t-butyldimethylsilyl-10-hydroxycamptothecin via chemical conversion in the presence of a chemically modified beta-cyclodextrin.

PubMed

Xiang, Tian-Xiang; Anderson, Bradley D

2002-08-01

A method for obtaining clear supersaturated aqueous solutions for parenteral administration of the poorly soluble experimental anti-cancer drug silatecan 7-t-butyldimethylsilyl-10-hydroxycamptothecin (DB-67) has been developed. Equilibrium solubilities of DB-67 were determined in various solvents and pH values, and in the presence of chemically modified water-soluble beta-cyclodextrins. The stoichiometry and binding constants for complexes of the lactone form of DB-67 and its ring-opened carboxylate with sulfobutyl ether and 2-hydroxypropyl substituted beta-cyclodextrins (SBE-CD and HP-CD) were obtained by solubility and circular dichroism spectroscopy, respectively. Kinetics for the reversible ring-opening of DB-67 in aqueous solution and for lactone precipitation were determined by HPLC with UV detection. Solubilities of DB-67 lactone in various injectable solvent systems were found to be at least one order of magnitude below the target concentration (2 mg/ml). DB-67 forms inclusion complexes with SBE-CD and HP-CD but the solubilization attainable is substantially less than the target concentration. Slow addition of DB-67/ DMSO into 22.2% (w/v) SBE-CD failed to yield stable supersaturated solutions due to precipitation. Stable supersatured solutions were obtained, however, by mixing a concentrated alkaline aqueous solution of DB-67 carboxylate with an acidified 22.2% (w/v) SBE-CD solution. Ring-closure yielded supersaturated solutions that could be lyophilized and reconstituted to clear, stable, supersaturated solutions. The method developed provides an alternative to colloidal dispersions (e.g., liposomal suspensions, emulsions, etc.) for parenteral administration of lipophilic camptothecin analogs.

Zinc Removal from the Aqueous Solutions by the Chemically Modified Biosorbents.

PubMed

Rajczykowski, Krzysztof; Sałasińska, Oktawia; Loska, Krzysztof

2018-01-01

Biosorbents are the natural origin adsorbents, which popularity in environmental engineering is steadily increasing due to their low price, ease of acquisition, and lack of the toxic properties. Presented research aimed to analyze the possibility of chemical modification of the straw, which is a characteristic waste in the Polish agriculture, to improve its biosorption properties with respect to removal of selected metals from aquatic solutions. Biosorbents used during the tests was a barley straw that was shredded to a size in the range of 0.2-1.0 mm. The biosorption process was performed for aqueous solutions of zinc at a pH 5. Two different modifications of straw were analyzed: esterification with methanol and modification using the citric acid at elevated temperature. The results, obtained during the research, show a clear improvement in sorption capacity of the straw modified by the citric acid. In the case of straw modified with methanol, it has been shown that the effectiveness of zinc biosorption process was even a twice lower with respect to the unmodified straw. Moreover, it was concluded that the removal of analyzed metals was based mainly on the ion-exchange adsorption mechanism by releasing a calcium and magnesium ions from the straw surface to the solution. Graphical Abstractᅟ.

Investigation of chemical modifiers for the direct determination of arsenic in fish oil using high-resolution continuum source graphite furnace atomic absorption spectrometry.

PubMed

Pereira, Éderson R; de Almeida, Tarcísio S; Borges, Daniel L G; Carasek, Eduardo; Welz, Bernhard; Feldmann, Jörg; Campo Menoyo, Javier Del

2016-04-01

High-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS GF AAS) has been applied for the development of a method for the determination of total As in fish oil samples using direct analysis. The method does not use any sample pretreatment, besides dilution with 1-propanole, in order to decrease the oil viscosity. The stability and sensitivity of As were evaluated using ruthenium and iridium as permanent chemical modifiers and palladium added in solution over the sample. The best results were obtained with ruthenium as the permanent modifier and palladium in solution added to samples and standard solutions. Under these conditions, aqueous standard solutions could be used for calibration for the fish oil samples diluted with 1-propanole. The pyrolysis and atomization temperatures were 1400 °C and 2300 °C, respectively, and the limit of detection and characteristic mass were 30 pg and 43 pg, respectively. Accuracy and precision of the method have been evaluated using microwave-assisted acid digestion of the samples with subsequent determination by HR-CS GF AAS and ICP-MS; the results were in agreement (95% confidence level) with those of the proposed method. Copyright © 2015 Elsevier B.V. All rights reserved.

Influence of surface heterogeneity in electroosmotic flows—Implications in chromatography, fluid mixing, and chemical reactions in microdevices

NASA Astrophysics Data System (ADS)

Adrover, Alessandra; Giona, Massimiliano; Pagnanelli, Francesca; Toro, Luigi

2007-04-01

We analyze the influence of surface heterogeneity, inducing a random ζ-potential at the walls in electroosmotic incompressible flows. Specifically, we focus on how surface heterogeneity modifies the physico-chemical processes (transport, chemical reaction, mixing) occurring in microchannel and microreactors. While the macroscopic short-time features associated with solute transport (e.g. chromatographic patterns) do not depend significantly on ζ-potential heterogeneity, spatial randomness in the surface ζ-potential modifies the spectral properties of the advection-diffusion operator, determining different long-term properties of transport/reaction phenomena compared to the homogeneous case. Examples of physical relevance (chromatography, infinitely fast reactions) are addressed.

Applicability of Vacuum Impregnation to Modify Physico-Chemical, Sensory and Nutritive Characteristics of Plant Origin Products—A Review

PubMed Central

Radziejewska-Kubzdela, Elżbieta; Biegańska-Marecik, Róża; Kidoń, Marcin

2014-01-01

Vacuum impregnation is a non-destructive method of introducing a solution with a specific composition to the porous matrices of fruit and vegetables. Mass transfer in this process is a result of mechanically induced differences in pressure. Vacuum impregnation makes it possible to fill large volumes of intercellular spaces in tissues of fruit and vegetables, thus modifying physico-chemical properties and sensory attributes of products. This method may be used, e.g., to reduce pH and water activity of the product, change its thermal properties, improve texture, color, taste and aroma. Additionally, bioactive compounds may be introduced together with impregnating solutions, thus improving health-promoting properties of the product or facilitating production of functional food. PMID:25244012

Agricultural solid waste for sorption of metal ions, part II: competitive assessment in multielemental solution and lake water.

PubMed

Milani, Priscila Aparecida; Consonni, João Luiz; Labuto, Geórgia; Carrilho, Elma Neide Vasconcelos Martins

2018-03-20

Sugarcane bagasse and hydroponic lettuce roots were used as biosorbents for the removal of Cu(II), Fe(II), Mn(II), and Zn(II) from multielemental solutions and lake water, in batch processes. These biomasses were studied in natura (lettuce roots, NLR, and sugarcane bagasse, NSB) and chemically modified with HNO 3 (lettuce roots, MLR, and sugarcane bagasse, MSB). The results showed higher adsorption efficiency for MSB and either NLR or MLR. The maximum adsorption capacities (q max ) in multielemental solution for Cu(II), Fe(II), Mn(II), and Zn(II) were 35.86, 31.42, 3.33, and 24.07 mg/g for NLR; 25.36, 27.95, 14.06, and 6.43 mg/g for MLR; 0.92, 3.94, 0.03, and 0.18 mg/g for NSB; and 54.11, 6.52, 16.7, and 1.26 mg/g for MSB, respectively. The kinetic studies with chemically modified biomasses indicated that sorption was achieved in the first 5 min and reached equilibrium around 30 min. Sorption of Cu(II), Fe(II), Mn(II), and Zn(II) in lake water by chemically modified biomasses was 24.31, 14.50, 8.03, and 8.21 mg/g by MLR, and 13.15, 10.50, 6.10, and 5.14 mg/g by MSB, respectively. These biosorbents are promising and low costs agricultural residues, and as for lettuce roots, these showed great potential even with no chemical modification.

Antimicrobial 3D Porous Scaffolds Prepared by Additive Manufacturing and Breath Figures.

PubMed

Vargas-Alfredo, Nelson; Dorronsoro, Ane; Cortajarena, Aitziber L; Rodríguez-Hernández, Juan

2017-10-25

We describe herein a novel strategy for the fabrication of efficient 3D printed antibacterial scaffolds. For this purpose, both the surface topography as well as the chemical composition of 3D scaffolds fabricated by additive manufacturing were modified. The scaffolds were fabricated by fused deposition modeling (FDM) using high-impact polystyrene (HIPS) filaments. The surface of the objects was then topographically modified providing materials with porous surfaces by means of the Breath Figures approach. The strategy involves the immersion of the scaffold in a polymer solution during a precise period of time. This approach permitted the modification of the pore size varying the immersion time as well as the solution concentration. Moreover, by using polymer blend solutions of polystyrene and polystyrene-b-poly(acrylic acid) (PS 23 -b-PAA 18 ) and a quaternized polystyrene-b-poly(dimethylaminoethyl methacrylate) (PS 42 -b-PDMAEMAQ 17 ), the scaffolds were simultaneously chemically modified. The surfaces were characterized by scanning electron microscopy and infrared spectroscopy. Finally, the biological response toward bacteria was explored. Porous surfaces prepared using quaternized PDMAEMA as well as those prepared using PAA confer antimicrobial activity to the films, i.e., were able to kill on contact Staphylococcus aureus employed as model bacteria.

Removal of Remazol turquoise Blue G-133 from aqueous solution using modified waste newspaper fiber.

PubMed

Zhang, Xiaoyu; Tan, Jia; Wei, Xinhao; Wang, Lijuan

2013-02-15

Waste newspaper fiber (WNF) was separated and modified via grafting quaternary ammonium salt to obtain an adsorbent, which removes Remazol turquoise Blue G-133 (RTB G-133) from aqueous solutions. SEM and IR were used to analyze the morphology and chemical groups of the modified waste newspaper fiber (MWNF). Batch adsorption studies were conducted with varying adsorbent dosages, solution pH, and contact time. Adsorption isotherms and models were fitted. The SEM photographs show the surface of MWNF is smoother in comparison with that of WNF. The IR analysis indicates that the quaternary ammonium salt was successfully grafted onto the cellulose skeleton in WNF and the chemical interaction played an important role in adsorption. Results show that the equilibrium adsorption capacity can be reached within 360 min, and that the maximum adsorption capacity was 260 mg g(-1). The adsorption of RTB G-133 on MWNF was a spontaneous endothermic process and well fitted pseudo-second-order kinetic model and Langmuir adsorption isotherm model. The results show that MWNF is promising for dye wastewater treatment. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

Hydroxyapatite growth on cotton fibers modified chemically

NASA Astrophysics Data System (ADS)

Varela Caselis, J. L.; Reyes Cervantes, E.; Landeta Cortés, G.; Agustín Serrano, R.; Rubio Rosas, E.

2014-09-01

We have prepared carboxymethyl cellulose fibers (CMC) by chemically modifying cotton cellulose with monochloroacetic acid and calcium chloride solution. This modification favored the growth of hydroxyapatite (HAP) on the surface of the CMC fibers in contact with simulated body fluid solutions (SBF). After soaking in SBF for periods of 7, 14 and 21 days, formation of HAP was observed. Analysis by scanning electron microscopy and X-ray diffraction showed that crystallinity, crystallite size, and growth of HAP increased with the soaking time. The amount of HAP deposited on CMC fibers increased greatly after 21 days of immersion in the SBF, while the substrate surface was totally covered with hemispherical aggregates with the size of the order of 2 microns. Elemental analysis showed the presence of calcium and phosphate, with calcium/phosphate atomic ratio of 1.54. Fourier transform infrared spectroscopy bands confirmed the presence of HAP. The results suggest that cotton modified by calcium treatment has a nucleating ability and can accelerate the nucleation of HAP crystals.

Polymer-grafted QCM chemical sensor and application to heavy metalions real time detection.

PubMed

Sartore, Luciana; Barbaglio, Marzia; Borgese, Laura; Bontempi, Elza

2011-07-20

A flow type quartz crystal microbalance (QCM) chemical sensor was developed for monitoring of heavy metal ions in aqueous solutions (that is suitable for environmental monitoring). The sensor is based upon surface chelation of the metal ions at multifunctional polymer modified gold electrodes on 9 MHz AT-cut quartz resonators, functioning as a QCM. New processes have been developed which enable to obtain surface-modified gold electrodes with high heavy metal ions complexing ability. These polymer grafted QCM sensors can selectively adsorb heavy metal ions, such as copper lead chrome and cadmium, from solution over a wide range from 0.01 to 1000 ppm concentration by complexation with functional groups in the polymers. Cations typically present in natural water did not interfere with the detection of heavy metals. X-Ray Reflectivity (XRR) and Total Reflection X-ray Fluorescence (TXRF) were carried out to characterise the unmodified and modified gold surfaces as well as to verify the possibility to selectively bond and remove metal ions.

Directed self-assembly of nanogold using a chemically modified nanopatterned surface

NASA Astrophysics Data System (ADS)

Nidetz, Robert; Kim, Jinsang

2012-02-01

Electron-beam lithography (EBL) was used to define an aminosilane nanopatterned surface in order to electrostatically self-assemble gold nanoparticles (Au NPs). The chemically modified nanopatterned surfaces were immersed into a Au NP solution to allow the Au NPs to self-assemble. Equilibrium self-assembly was achieved in only 20 min. The number of Au NPs that self-assembled on an aminosilane dot was controlled by manipulating the diameters of both the Au NPs and the dots. Adding salt to the Au NP solution enabled the Au NPs to self-assemble in greater numbers on the same sized dot. However, the preparation of the Au NP solution containing salt was sensitive to spikes in the salt concentration. These spikes led to aggregation of the Au NPs and non-specific deposition of Au NPs on the substrate. The Au NP patterned surfaces were immersed in a sodium hydroxide solution in order to lift-off the patterned Au NPs, but no lift-off was observed without adequate physical agitation. The van der Waals forces are too strong to allow for lift-off despite the absence of electrostatic forces.

Nanoporous polysulfone membranes via a degradable block copolymer precursor for redox flow batteries

DOE PAGES

Gindt, Brandon P.; Abebe, Daniel G.; Tang, Zhijiang J.; ...

2016-02-16

In this study, nanoporous polysulfone (PSU) membranes were fabricated via post-hydrolysis of polylactide (PLA) from PLA–PSU–PLA triblock copolymer membranes. The PSU scaffold was thermally crosslinked before sacrificing PLA blocks. The resulting nanopore surface was chemically modified with sulfonic acid moieties. The membranes were analyzed and evaluated as separators for vanadium redox flow batteries. Nanoporous PSU membranes prepared by this new method and further chemically modified to a slight degree exhibited unique behavior with respect to their ionic conductivity when exposed to solutions of increasing acid concentration.

Influence of pyrolysis temperature on lead immobilization by chemically modified coconut fiber-derived biochars in aqueous environments.

PubMed

Wu, Weidong; Li, Jianhong; Niazi, Nabeel Khan; Müller, Karin; Chu, Yingchao; Zhang, Lingling; Yuan, Guodong; Lu, Kouping; Song, Zhaoliang; Wang, Hailong

2016-11-01

Biochar has received widespread attention as an eco-friendly and efficient material for immobilization of toxic heavy metals in aqueous environments. In the present study, three types of coconut fiber-derived biochars were obtained by pyrolyzing at three temperatures, i.e., 300, 500, and 700 °C. In addition, nine types of biochars were prepared by chemical modification with ammonia, hydrogen peroxide, and nitric acid, respectively, which were used to investigate changes in physico-chemical properties by inter alia, Fourier transformation infrared spectrophotometry (FTIR), scanning electron microscope (SEM), and BET specific surface area analysis. Batch sorption experiments were carried out to determine the sorption capacity of the biochars for lead (Pb) in aqueous solutions. Results showed that the cation exchange capacity of biochar pyrolyzed at 300 °C and modified with nitric acid increased threefold compared to the control. Loosely corrugated carbon surface and uneven carbon surface of the biochar pyrolyzed at 300 °C were produced during ammonia and nitric acid modifications. Removal rate of Pb by the coconut biochar pyrolyzed at 300 °C and modified with ammonia was increased from 71.8 to 99.6 % compared to the untreated biochar in aqueous solutions containing 100 mg L -1 Pb. However, chemical modification did not enhance adsorption of Pb of the biochars pyrolyzed at higher temperatures (e.g., 500 or 700 °C), indicating that resistance of biochars to chemical treatment increased with pyrolysis temperature.

Characteristics of Amorphophallus campanulatus Modified Starch as Novel Adsorbent for Nickel and Cadmium Removal from Aqueous Solution

NASA Astrophysics Data System (ADS)

Lestari, A. Y. D.; Dewi, L. K.

2018-05-01

Novel adsorbents are succesfully manufactured from Amorphophalluscampanulatus (Porang or Suweg or Elephant Foot Yam or Foot Yam) starch. The experiment focused on modifiying the starch with citric acid and detailing those morphologies and chemical bonds. Analysis with FTIR and SEM showed that PTM (modified porous porang starch) sample is the best adsorbent which has most stable of chemical bonding and also has the most pores that influence an adsorption phenomena. Isotherm adsorption analysis showed that the adsorption mechanism of Cd and Ni ions onto the suface of PB, PT and PTM followed the Temkin and Langmuir isotherm adsorption. Adsorption ability of PTM is the best than the other PB and PT which can adsorps 256,23 mg Cd/g PTM and 87,45 mg Ni/g PTM in 500 ppm synthetic aqueous solution

Preparation of transition metal nanoparticles and surfaces modified with (CO)polymers synthesized by RAFT

DOEpatents

McCormick, III., Charles L.; Lowe, Andrew B.; Sumerlin, Brent S.

2006-11-21

A new, facile, general one-phase method of generating thio-functionalized transition metal nanoparticles and surfaces modified by (co)polymers synthesized by the RAFT method is described. The method includes the stops of forming a (co)polymer in aqueous solution using the RAFT methodology, forming a colloidal transition metal precursor solution from an appropriate transition metal; adding the metal precursor solution or surface to the (co)polymer solution, adding a reducing agent into the solution to reduce the metal colloid in situ to produce the stabilized nanoparticles or surface, and isolating the stabilized nanoparticles or surface in a manner such that aggregation is minimized. The functionalized surfaces generated using these methods can further undergo planar surface modifications, such as functionalization with a variety of different chemical groups, expanding their utility and application.

Preparation of transition metal nanoparticles and surfaces modified with (co)polymers synthesized by RAFT

DOEpatents

McCormick, III, Charles L.; Lowe, Andrew B [Hattiesburg, MS; Sumerlin, Brent S [Pittsburgh, PA

2011-12-27

A new, facile, general one-phase method of generating thiol-functionalized transition metal nanoparticles and surfaces modified by (co)polymers synthesized by the RAFT method is described. The method includes the steps of forming a (co)polymer in aqueous solution using the RAFT methodology, forming a colloidal transition metal precursor solution from an appropriate transition metal; adding the metal precursor solution or surface to the (co)polymer solution, adding a reducing agent into the solution to reduce the metal colloid in situ to produce the stabilized nanoparticles or surface, and isolating the stabilized nanoparticles or surface in a manner such that aggregation is minimized. The functionalized surfaces generated using these methods can further undergo planar surface modifications, such as functionalization with a variety of different chemical groups, expanding their utility and application.

Effect of ten quaternary ammonium cations on tetrachloromethane sorption to clay from water

USGS Publications Warehouse

Smith, J.A.

1990-01-01

The mineral surface of Wyoming bentonite (clay) was modified by replacing inorganic ions by each of 10 quaternary ammonium compounds, and tetrachloromethane sorption to the modified sorbents from water was studied. Tetrachloromethane sorption from solution to clay modified with tetramethyl-, tetraethyl-, benzyltrimethyl-, or benzyltriethylammonium cations generally is characterized by relatively high solute uptake, isotherm nonlinearity, and competitive sorption (with trichloroethene as the competing sorbate). For these sorbents, the ethyl functional groups yield reduced sorptive capacity relative to methyl groups, whereas the benzyl group appears to have a similar effect on sorbent capacity as the methyl group. Sorption of tetrachloromethane to clay modified with dodecyldimethyl(2-phenoxyethyl)-, dodecyltrimethyl-, tetradecyltrimethyl-, hexadecyltrimethyl-, or benzyldimethylhexadecylammonium bromide is characterized by relatively low solute uptake, isotherm linearity, and noncompetitive sorption. For these sorbents, an increase in the size of the nonpolar functional group(s) causes an increase in the organic carbon normalized sorption coefficient (Koc). No measurable uptake of tetrachloromethane sorption by the unmodified clay or clay modified by ammonium bromide was observed. ?? 1990 American Chemical Society.

Improved removal of malachite green from aqueous solution using chemically modified cellulose by anhydride.

PubMed

Zhou, Yanmei; Min, Yinghao; Qiao, Han; Huang, Qi; Wang, Enze; Ma, Tongsen

2015-03-01

Cellulose modified with maleic (M) and phthalic (P) anhydride, to be named CMA and CPA, were tested as feasible adsorbents for the removal of malachite green from aqueous solution. At the same time, the uptake ability of natural cellulose was also studied for comparison. The structure of material was characterized by FT-IR and XRD. The effects of solution pH, initial dye concentration, contact time and temperature were investigated in detail by batch adsorption experiments. The kinetic and isotherm studies suggested that the adsorption followed the pseudo-second-order model and Langmuir isotherm. The maximum adsorption capacity on CMA and CPA were 370 mg g(-1) and 111 mg g(-1), respectively. Furthermore, the thermodynamics studies indicated the spontaneous nature of adsorption of malachite green on adsorbents. All the studied results showed that the modified cellulose could be used as effective adsorption material for the removal of malachite green from aqueous solutions. Copyright © 2014 Elsevier B.V. All rights reserved.

Modification of chemical reactivity of enzymatic hydrolysis lignin by ultrasound treatment in dilute alkaline solutions.

PubMed

Ma, Zhuoming; Li, Shujun; Fang, Guizhen; Patil, Nikhil; Yan, Ning

2016-12-01

In this study, we have explored various ultrasound treatment conditions for structural modification of enzymatic hydrolysis lignin (EHL) for enhanced chemical reactivity. The key structural modifications were characterized by using a combination of analytical methods, including, Fourier Transform-Infrared spectroscopy (FTIR), Proton Nuclear Magnetic Resonance ( 1 H NMR), Gel permeation chromatography (GPC), X-ray photoelectron spectroscopy (XPS), and Folin-Ciocalteu (F-C) method. Chemical reactivity of the modified EHL samples was determined by both 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging activity and their reactivity towards formaldehyde. It was observed that the modified EHL had a higher phenolic hydroxyl group content, a lower molecular weight, a higher reactivity towards formaldehyde, and a greater antioxidant property. The higher reactivity demonstrated by the samples after treatment suggesting that ultrasound is a promising method for modifying enzymatic hydrolysis lignin for value-added applications. Copyright © 2016 Elsevier B.V. All rights reserved.

FY08 Chemical Synthesis for the Self-Decontaminating Coatings Project

DTIC Science & Technology

2013-08-01

These synthesized materials consist of Boltorn hyperbranched polymers that are functionalized with hydantoin, alkyl, and perfluorinated groups. 15...envisioned that completely prevents sorption of chemical agents, enables autonomous decontamination, reduces the volume of cleaning solution...modified with perfluorinated octanoic acid (PFOA), lauric acid, and a hydantoin moiety. HO OH CH3 HO O 3 Figure 2. Synthetic targets 1–3

Improved sensitivity by post-column chemical environment modification of CE-ESI-MS using a flow-through microvial interface.

PubMed

Risley, Jessica May; Chen, David Da Yong

2017-06-01

Post-column chemical environment modification can affect detection sensitivity and signal appearance when capillary electrophoresis is coupled through electrospray ionization to mass spectrometry (CE-ESI-MS). In this study, changes in the signal intensity and peak shape of N-Acetylneuraminic acid (Neu5Ac) were examined when the modifier solution used in a flow-through microvial interface for CE-ESI-MS was prepared using an acidic or basic background electrolyte (BGE) composition. The use of a basic modifier resulted in improved detection compared to the results obtained when an acidic modifier was used in negative ion mode. Increased sensitivity and more symmetrical peak shape were obtained. Using an acidic modifier, the LOD of Neu5Ac was 47.7 nM, whereas for a basic modifier, the LOD of Neu5Ac was 5.20 nM. The calculated asymmetry factor at 100 nM of Neu5Ac ranged from 0.71 to 1.5 when an acidic modifier was used, while the factor ranged from 1.0 to 1.1 when a basic modifier was used. Properly chosen post-column chemical modification can have a significant effect on the performance of the CE-MS system. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental Determination of pK[subscript a] Values by Use of NMR Chemical Shifts, Revisited

ERIC Educational Resources Information Center

Gift, Alan D.; Stewart, Sarah M.; Bokashanga, Patrick Kwete

2012-01-01

This laboratory experiment, using proton NMR spectroscopy to determine the dissociation constant for heterocyclic bases, has been modified from a previously described experiment. A solution of a substituted pyridine is prepared using deuterium oxide (D[subscript 2]O) as the solvent. The pH of the solution is adjusted and proton NMR spectra are…

Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes

NASA Technical Reports Server (NTRS)

Liao, Yunlong; Chen, Zhongfang; Connell, John W.; Fay, Catharine C.; Park, Cheol; Kim, Jae-Woo; Lin, Yi

2014-01-01

Boron nitride nanotubes (BNNTs), the one-dimensional member of the boron nitride nanostructure family, are generally accepted to be highly inert to oxidative treatments and can only be covalently modifi ed by highly reactive species. Conversely, it is discovered that the BNNTs can be chemically dispersed and their morphology modifi ed by a relatively mild method: simply sonicating the nanotubes in aqueous ammonia solution. The dispersed nanotubes are significantly corroded, with end-caps removed, tips sharpened, and walls thinned. The sonication treatment in aqueous ammonia solution also removes amorphous BN impurities and shortened BNNTs, resembling various oxidative treatments of carbon nanotubes. Importantly, the majority of BNNTs are at least partially longitudinally cut, or "unzipped". Entangled and freestanding BN nanoribbons (BNNRs), resulting from the unzipping, are found to be approximately 5-20 nm in width and up to a few hundred nanometers in length. This is the fi rst chemical method to obtain BNNRs from BNNT unzipping. This method is not derived from known carbon nanotube unzipping strategies, but is unique to BNNTs because the use of aqueous ammonia solutions specifi cally targets the B-N bond network. This study may pave the way for convenient processing of BNNTs, previously thought to be highly inert, toward controlling their dispersion, purity, lengths, and electronic properties.

Preparation of keratin and chemically modified keratin hydrogels and their evaluation as cell substrate with drug releasing ability.

PubMed

Nakata, Ryo; Osumi, Yu; Miyagawa, Shoko; Tachibana, Akira; Tanabe, Toshizumi

2015-07-01

Keratin was extracted as a reduced form from wool, which was then subjected to acetamidation, carboxymethylation or aminoethylation at abundant free cysteine residues to give acetamidated keratin (AAK), carboxymethylated keratin (CMK) and aminoethylated keratin (AEK). Hydrogels were prepared from intact and three chemically modified keratins simply by concentrating their aqueous solution and subsequent cooling. The lowest concentration to form a hydrogel without fluidity was 110 mg/ml for AAK, 120 mg/ml for AEK, 130 mg/ml for keratin and 180 mg/ml for CMK. Comparing with a hydrogel just prepared (swelling ratio: 600-700), each hydrogel slightly shrank in an acidic solution. While AAK hydrogel little swelled in neutral and basic solutions, other hydrogels became swollen and CMK hydrogel reached to dissolution. Hydrogels of keratin, AAK and AEK were found to support cell proliferation, although cell elongation on AAK and AEK hydrogel was a little suppressed. On the other hand, CMK hydrogel did not seem to be suitable for a cell substrate because of its high swelling in culture medium. Evaluation of the hydrogels as a drug carrier showed that keratin and AAK hydrogels were good sustained drug release carriers, which showed the drug release for more than three days, while the release from AEK and CMK hydrogels completed within one day. Thus, keratin and chemically modified keratin hydrogels, especially keratin and AAK hydrogels, were promising biomaterials as a cell substrate and a sustained drug release carrier. Copyright © 2014 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Graphene sheets modified with polyindole for electro-chemical detection of dopamine.

PubMed

Kumar, Ashish; Prakash, Rajiv

2014-03-01

Oxidized polyindole is coated over graphene surface by in-situ chemical oxidation method in dilute hydrochloric acid solution. Morphology of graphene modified with oxidized polyindole is investigated by scanning electron microscope. The interaction of graphene to polyindole is observed by Raman spectroscopy. The introduction of carboxylate functionality is observed in graphene due to pyrolysis. The association of this functionality with indole monomer and their interactive behaviour led to formation of uniform polyindole over graphene surface in presence of oxidizing agent. Our chemical synthesis results not only formation of uniform polymer thin layer over the graphene sheets but also enhances various properties and processibility of the graphene. Negative surface charge on the composite material is observed at acidic pH, which shows potential for accumulation of positively charged species in the solution. Further it is explored for electro-catalytic and sensing applications and shows cation permselective behavior of dopamine hydrochloride. It is demonstrated by differential pulse voltammetric technique in dopamine concentration range from 10 microM to 1 mM (in presence of 1 mM ascorbic acid).

Efficiency of modified chemical remediation techniques for soil contaminated by organochlorine pesticides

NASA Astrophysics Data System (ADS)

Correa-Torres, S. N.; Kopytko, M.; Avila, S.

2016-07-01

This study reports the optimization of innovation chemical techniques in order to improve the remediation of soils contaminated with organochloride pesticides. The techniques used for remediation were dehalogenation and chemical oxidation in soil contaminated by pesticides. These techniques were applied sequentially and combined to evaluate the design optimize the concentration and contact time variables. The soil of this study was collect in cotton crop zone in Agustin Codazzi municipality, Colombia, and its physical properties was measure. The modified dehalogenation technique of EPA was applied on the contaminated soil by adding Sodium Bicarbonate solution at different concentrations and rates during 4, 7 and 14 days, subsequently oxidation technique was implemented by applying a solution of KMnO4 at different concentration and reaction times. Organochlorine were detected by Gas Chromatography analysis coupled Mass Spectrometry and its removals were between 85.4- 90.0% of compounds such as 4, 4’-DDT, 4,4’-DDD, 4,4-DDE, trans-Clordane y Endrin. These results demonstrate that the technique of dehalogenation with oxidation chemistry can be used for remediation soils contaminated by organochloride pesticides.

Chemical functionalization of diatom silica microparticles for adsorption of gold (III) ions.

PubMed

Yu, Yang; Addai-Mensah, Jonas; Losic, Dusan

2011-12-01

Diatom silica microparticles from natural diatomaceous earth (DE) silica have been functionalized with 3-mercaptopropyltrimethoxysilane (MPTMS) and their application for adsorption of gold (III) ions from aqueous solutions is demonstrated. Fourier transform infrared spectroscopy (FTIR) and X-ray Photoelectron spectroscopy (XPS) analyses of the MPTMS modified diatom microparticles revealed that the silane layer with functional group (-SH) was successfully introduced to the diatom surface. The adsorption study of Au(III) ions using MPTMS-DE indicated that the process depends on initial gold (III) concentration and pH showing maximum adsorption capacity at pH = 3. The Au(III) adsorption kinetics results showed that the adsorption was very fast and followed a pseudo-second-order reaction model. The Langmuir model was used to provide a sound mechanistic basis for the theoretical of the adsorption equilibrium data. Gold recovery from MPTMS-DE structures was also investigated by using acidified thiourea solution and found to be high (> 95%). These results show that chemically modified DE microparticles can be used as a new, cost effective and environmentally benign adsorbent suitable for adsorption of gold metal ions from aqueous solutions.

Uniform manganese hexacyanoferrate hydrate nanocubes featuring superior performance for low-cost supercapacitors and nonenzymatic electrochemical sensors.

PubMed

Pang, Huan; Zhang, Yizhou; Cheng, Tao; Lai, Wen-Yong; Huang, Wei

2015-10-14

Uniform manganese hexacyanoferrate hydrate nanocubes are prepared via a simple chemical precipitation method at room temperature. Due to both micro/mesopores of the Prussian blue analogue and nanocubic structures, the manganese hexacyanoferrate hydrate nanocubes allow the efficient charge transfer and mass transport for electrolyte solution and chemical species. Thus, the manganese hexacyanoferrate hydrate nanocube electrode shows a good rate capability and cycling stability for electrochemical capacitors. Furthermore, electrodes modified with manganese hexacyanoferrate hydrate nanocubes demonstrate a sensitive electrochemical response to hydrogen peroxide (H2O2) in buffer solutions with a high selectivity.

Studies on transport phenomena in electrothermal vaporization sample introduction applied to inductively coupled plasma for optical emission and mass spectrometry

NASA Astrophysics Data System (ADS)

Kántor, T.; Maestre, S.; de Loos-Vollebregt, M. T. C.

2005-10-01

In the present work electrothermal vaporization (ETV) was used in both inductively coupled plasma mass spectrometry (ICP-MS) and optical emission spectrometry (OES) for sample introduction of solution samples. The effect of (Pd + Mg)-nitrate modifier and CaCl 2 matrix/modifier of variable amounts were studied on ETV-ICP-MS signals of Cr, Cu, Fe, Mn and Pb and on ETV-ICP-OES signals of Ag, Cd, Co, Cu, Fe, Ga, Mn and Zn. With the use of matrix-free standard solutions the analytical curves were bent to the signal axes (as expected from earlier studies), which was observed in the 20-800 pg mass range by ICP-MS and in the 1-50 ng mass range by ICP-OES detection. The degree of curvature was, however, different with the use of single element and multi-element standards. When applying the noted chemical modifiers (aerosol carriers) in microgram amounts, linear analytical curves were found in the nearly two orders of magnitude mass ranges. Changes of the CaCl 2 matrix concentration (loaded amount of 2-10 μg Ca) resulted in less than 5% changes in MS signals of 5 elements (each below 1 ng) and OES signals of 22 analytes (each below 15 ng). Exceptions were Pb (ICP-MS) and Cd (ICP-OES), where the sensitivity increase by Pd + Mg modifier was much larger compared to other elements studied. The general conclusions suggest that quantitative analysis with the use of ETV sample introduction requires matrix matching or matrix replacement by appropriate chemical modifier to the specific concentration ranges of analytes. This is a similar requirement to that claimed also by the most commonly used pneumatic nebulization of solutions, if samples with high matrix concentration are concerned.

Surface and tribological properties of seed proteins

USDA-ARS?s Scientific Manuscript database

Aqueous solutions of oat and lupin proteins were investigated for their surface, interfacial, friction and wear properties. The investigated oat proteins included those that were also chemically modified using a variety of methods (acetylation, succinylation, x-linking) and combinations of methods....

Chemically Modified Polyvinyl Chloride for Removal of Thionine Dye (Lauth’s Violet)

PubMed Central

Silva, Cleuzilene V.; Royer, Betina; Rodrigues Filho, Guimes; Cerqueira, Daniel A.; Assunção, Rosana M. N.

2017-01-01

The chemical modification of hydrophobic polymer matrices is an alternative way to elchange their surface properties. The introduction of sulfonic groups in the polymer changes the surface properties such as adhesion, wettability, catalytic ability, and adsorption capacity. This work describes the production and application of chemically modified polyvinyl chloride (PVC) as adsorbent for dyes removal. Chemical modification of PVC was evaluated by infrared spectroscopy and elemental analysis, which indicated the presence of sulfonic groups on PVC. The chemically modified PVC (PVCDS) showed an ion exchange capacity of 1.03 mmol−1, and efficiently removed the thionine dye (Lauth’s violet) from aqueous solutions, reaching equilibrium in 30 min. The adsorption kinetics was better adjusted for a pseudo second order model. This result indicates that the adsorption of thionine onto PVCDS occurs by chemisorption. Among the models for the state of equilibrium, SIPS and Langmuir exhibited the best fit to the experimental results and PVCDS showed high adsorption capacities (370 mg−1). Thus, it is assumed that the system presents homogeneous characteristics to the distribution of active sites. The modification promoted the formation of surface characteristics favorable to the dye adsorption by the polymer. PMID:29137158

Modification of semi-coke powder and its adsorption mechanisms for Cr(VI) and methylene blue

NASA Astrophysics Data System (ADS)

Zhang, Linjiang; Liu, Zhuannian; Fan, Yidan; Fan, Aping; Han, Xiaogang

2018-02-01

In this paper, the semi-coke powder was modified by three kinds of physical or chemical methods and then modified semi-coke was used as adsorbent for removal of Cr6+ and methylene blue (MB) from aqueous solution. The effects of time, dosage and pH on removal rate were investigated using batch experiments. The process of Cr6+ and MB adsorption onto the modified semi-coke powder follows pseudo second-order kinetics. The analysis of SEM and BET showed the Specific surface area of modified semi-coke are 84.92 m2/g, which is higher than that of raw semi-coke powder.

Numerical and experimental study of electron-beam coatings with modifying particles FeB and FeTi

NASA Astrophysics Data System (ADS)

Kryukova, Olga; Kolesnikova, Kseniya; Gal'chenko, Nina

2016-07-01

An experimental study of wear-resistant composite coatings based on titanium borides synthesized in the process of electron-beam welding of components thermo-reacting powders are composed of boron-containing mixture. A model of the process of electron beam coating with modifying particles of boron and titanium based on physical-chemical transformations is supposed. The dissolution process is described on the basis of formal kinetic approach. The result of numerical solution is the phase and chemical composition of the coating under nonequilibrium conditions, which is one of the important characteristics of the coating forming during electron beam processing. Qualitative agreement numerical calculations with experimental data was shown.

The solusphere-its inferences and study

USGS Publications Warehouse

Rainwater, F.H.; White, W.F.

1958-01-01

Water is a fundamental geologic agent active in rock decomposition, erosion, and synthesis. Solutes in water are of particular interest to geochemists as sources of raw material for synthesis or as products of decomposition. When geochemical studies move from the laboratory into natural environment many variables relating to solute hydrology must be considered. As a focal point there has been designed a graphical representation of solute hydrology, the solusphere, which embodies the concepts of land-water occurrence and movement on which are superimposed geologic, biologic, physical, chemical, and cultural processes affecting solutes. The solusphere is demonstrated by passing an imaginary plane through the centre of the earth. This plane intercepts concentric zones designated as rock flowage, saturation, aeration, surface activity, and atmosphere. Transport processes carry solutes within and between zones without alteration or conversion. However, whether stationary or in motion, the water's solute character is constantly subject to (1) alteration processes that change concentration by addition or subtraction of solutes or solvent without loss of solute identities, and (2) conversion processes that change the chemical state and form of solutes. The geochemist is concerned with specific conversion processes, but he also must consider transport, alteration, and other conversion processes that are continually modifying the materials with which he is dealing in nature. The solusphere is an attempt to organize processes affecting the chemical quality of land waters into a unified field of science much like the field of marine chemistry. ?? 1958.

Chemical modification of electrolytes for lithium batteries

NASA Astrophysics Data System (ADS)

Afanas'ev, Vladimir N.; Grechin, Aleksandr G.

2002-09-01

Modern approaches to modifying chemically electrolytes for lithium batteries are analysed with the aim of optimising the charge-transfer processes in liquid-phase and solid (polymeric) media. The main regularities of transport properties of lithium electrolyte solutions containing complex (encapsulated) ions in aprotic solvents and polymers are discussed. The prospects for the development of electrolytic solvosystems with the chain (ionotropic) mechanism of conduction with respect to lithium ions are outlined. The bibliography includes 126 references.

Properties Characterization of Chemically Modified Hemp Hurds

PubMed Central

Stevulova, Nadezda; Cigasova, Julia; Estokova, Adriana; Terpakova, Eva; Geffert, Anton; Kacik, Frantisek; Singovszka, Eva; Holub, Marian

2014-01-01

The effect of chemical treatment of hemp hurds slices in three solutions (EDTA (Ethylenediaminetetraacetic acid), NaOH and Ca(OH)2) on the properties of natural material was discussed in this paper. Changes in the morphology, chemical composition and structure as well as thermal stability of hemp hurds before and after their modification were investigated by using FTIR (Fourier transform infrared spectroscopy), XRD (X-ray powder diffraction analysis) and TG (thermogravimetry)/DSC (differential scanning calorimetry). Size exclusion chromatography (SEC) measurements were used for determination of degree of cellulose polymerization of hemp hurd samples. Chemical modification is related to the partial removal of non-cellulosic components of lignin, hemicellulose and pectin as well as waxes from the surface of hemp hurd slices. Another effect of the chemical treatment applied is connected with increasing the crystallinity index of cellulose determined by FTIR and XRD methods. Decrease in degree of cellulose polymerization and polydispersity index in chemically modified hemp hurds compared to the original sample was observed. Increase in thermal stability of treated hemp hurd was found. The most significant changes were observed in alkaline treated hemp hurds by NaOH. PMID:28788294

An analysis of a charring ablator with thermal nonequilibrium, chemical kinetics, and mass transfer

NASA Technical Reports Server (NTRS)

Clark, R. K.

1973-01-01

The differential equations governing the transient response of a one-dimensional ablative thermal protection system are presented for thermal nonequilibrium between the pyrolysis gases and the char layer and with finite rate chemical reactions occurring. The system consists of three layers (the char layer, the uncharred layer, and an optical insulation layer) with concentrated heat sinks at the back surface and between the second and third layers. The equations are solved numerically by using a modified implicit finite difference scheme to obtain solutions for the thickness of the charred and uncharred layers, surface recession and pyrolysis rates, solid temperatures, porosity profiles, and profiles of pyrolysis-gas temperature, pressure, composition, and flow rate. Good agreement is obtained between numerical results and exact solutions for a number of simplified cases. The complete numerical analysis is used to obtain solutions for an ablative system subjected to a constant heating environment. Effects of thermal, chemical, and mass transfer processes are shown.

Chemically modified Moringa oleifera seed husks as low cost adsorbent for removal of copper from aqueous solution

NASA Astrophysics Data System (ADS)

Ghafar, Faridah; Mohtar, Aminullah; Sapawe, Norzahir; Hadi, Norulakmal Nor; Salleh, Marmy Roshaidah Mohd

2017-12-01

Moringa oleifera husks (MOH) are an agricultural byproduct that may have potential as adsorbent for removal of heavy metal ions in wastewater such as copper (Cu2+). The release of Cu2+ to the environment by the mining and electroplating industries cause a major problem because it is toxic and can cause liver and kidney problems. Hence, it is important to remove copper before the wastewater can be discharged to the environment. In order to increase the adsorption capacity, the MOH was chemically modified using citric acid. The raw and modified MOH were analyzed using Fourier Transform Infra-Red (FTIR) for identification of functional groups present at the adsorbent surface. The adsorption study was carried out using the batch technique in water bath shaker investigating different parameters; adsorbent dosage (30 - 70 g/L), initial concentration of copper (30 - 150 mg/L), contact time (2 - 90 min), temperature (27 - 60 °C) at constant agitation of 100 rpm. The concentrations of copper in aqueous solution before and after the adsorption process was analyzed using Atomic Absorption Spectrum (AAS). The highest percentage removal of copper was found at 10g/L of adsorbent dosage with 30 mg/L of initial concentration and temperature 30 °C. It was also observed that the adsorption of copper by MOH was approaching to equilibrium at 60 min of reaction time. From the FTIR analysis, it was found that the MOH contains hydroxyl, carboxyl and amine groups. The high adsorption capacity of modified MOH to remove copper from aqueous solution makes it preferable and attractive alternative to commercial adsorbent.

Chemical Sensors Based on IR Spectroscopy and Surface-Modified Waveguides

NASA Technical Reports Server (NTRS)

Lopez, Gabriel P.; Niemczyk, Thomas

1999-01-01

Sol-gel processing techniques have been used to apply thin porous films to the surfaces of planar infrared (IR) waveguides to produce widely useful chemical sensors. The thin- film coating serves to diminish the concentration of water and increase the concentration of the analyte in the region probed by the evanescent IR wave. These porous films are composed of silica, and therefore, conventional silica surface modification techniques can be used to give the surface a specific functional character. The sol-gel film was surface-modified to make the film highly hydrophobic. These sensors were shown to be capable of detecting non-polar organic analytes, such as benzonitrile, in aqueous solution with detection limits in the ppb range. Further, these porous sol-gel structures allow the analytes to diffuse into and out of the films rapidly, thus reaching equilibrium in less than ten seconds. These sensors are unique because of the fact that their operation is based on the measurement of an IR absorption spectrum. Thus, these sensors are able to identify the analytes as well as measure concentration with high sensitivity. These developments have been documented in previous reports and publications. Recently, we have also targeted detection of the polar organic molecules acetone and isopropanol in aqueous solution. Polar organics are widely used in industrial and chemical processes, hence it is of interest to monitor their presence in effluents or decontamination process flows. Although large improvements in detection limits were expected with non-polar organic molecules in aqueous solutions using very hydrophobic porous sol-gel films on silicon attenuated total reflectance (Si ATR) waveguides, it was not as clear what the detection enhancements might be for polar organic molecules. This report describes the use of modified sol-gel-coated Si ATR sensors for trace detection and quantitation of small polar organic molecules in aqueous solutions. The detection of both acetone and isopropanol molecules in aqueous solution has been previously reported for chalcogenide fiber optic sensors. The sol-gel film was produced using a mixture of ethyltriethoxysilane and tetraethoxysilane and the surface modification was carried out using trimethylchlorosilane. We have demonstrated that this film concentrates the target polar analytes from aqueous solution in the region probed by the evanescent wave to improve detection limits by as much as a factor of 450.

A novel in chemico method to detect skin sensitizers in highly diluted reaction conditions.

PubMed

Yamamoto, Yusuke; Tahara, Haruna; Usami, Ryota; Kasahara, Toshihiko; Jimbo, Yoshihiro; Hioki, Takanori; Fujita, Masaharu

2015-11-01

The direct peptide reactivity assay (DPRA) is a simple and versatile alternative method for the evaluation of skin sensitization that involves the reaction of test chemicals with two peptides. However, this method requires concentrated solutions of test chemicals, and hydrophobic substances may not dissolve at the concentrations required. Furthermore, hydrophobic test chemicals may precipitate when added to the reaction solution. We previously established a high-sensitivity method, the amino acid derivative reactivity assay (ADRA). This method uses novel cysteine (NAC) and novel lysine derivatives (NAL), which were synthesized by introducing a naphthalene ring to the amine group of cysteine and lysine residues. In this study, we modified the ADRA method by reducing the concentration of the test chemicals 100-fold. We investigated the accuracy of skin sensitization predictions made using the modified method, which was designated the ADRA-dilutional method (ADRA-DM). The predictive accuracy of the ADRA-DM for skin sensitization was 90% for 82 test chemicals which were also evaluated via the ADRA, and the predictive accuracy in the ADRA-DM was higher than that in the ADRA and DPRA. Furthermore, no precipitation of test compounds was observed at the initiation of the ADRA-DM reaction. These results show that the ADRA-DM allowed the use of test chemicals at concentrations two orders of magnitude lower than that possible with the ADRA. In addition, ADRA-DM does not have the restrictions on test compound solubility that were a major problem with the DPRA. Therefore, the ADRA-DM is a versatile and useful method. Copyright © 2015 John Wiley & Sons, Ltd.

Review on effect of chemical, thermal, additive treatment on mechanical properties of basalt fiber and their composites

NASA Astrophysics Data System (ADS)

Jain, Naman; Singh, Vinay Kumar; Chauhan, Sakshi

2017-12-01

Basalt fiber is emerging out the new reinforcing material for composites. To overcome some of the disadvantages of fibers such as poor bonding to polymers, low thermal stability and high moisture absorption fiber characteristics are modified with chemical, thermal and additive treatments. Chemical treatment corrosive resistance to alkali and acid were investigated which were used to clean and modify the surface of fiber for higher bonding with resins. To improve the thermal stability and reduce moisture uptake thermal treatment such as plasma and non thermal plasma were used which increased the surface roughness and change the chemical composition of surface of basalt fiber. Additive treatment is used to improve the mechanical properties of fibers, in basalt fiber additive treatment was done with SiO2 additive because of its chemical composition which contains major content of SiO2. In present investigation review on the effect of different treatment such as chemical, thermal and additive were studied. Effect of these treatment on chemical composition of the surface of basalt fiber and corrosion to acidic and alkali solution were studied with their effect on mechanical properties of basalt fiber and their composite.

Parallel algorithms for modeling flow in permeable media. Annual report, February 15, 1995 - February 14, 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

G.A. Pope; K. Sephernoori; D.C. McKinney

1996-03-15

This report describes the application of distributed-memory parallel programming techniques to a compositional simulator called UTCHEM. The University of Texas Chemical Flooding reservoir simulator (UTCHEM) is a general-purpose vectorized chemical flooding simulator that models the transport of chemical species in three-dimensional, multiphase flow through permeable media. The parallel version of UTCHEM addresses solving large-scale problems by reducing the amount of time that is required to obtain the solution as well as providing a flexible and portable programming environment. In this work, the original parallel version of UTCHEM was modified and ported to CRAY T3D and CRAY T3E, distributed-memory, multiprocessor computersmore » using CRAY-PVM as the interprocessor communication library. Also, the data communication routines were modified such that the portability of the original code across different computer architectures was mad possible.« less

Sorption of nonpolar aromatic contaminants by chlorosilane surface modified natural minerals.

PubMed

Huttenloch, P; Roehl, K E; Czurda, K

2001-11-01

The efficacy of the surface modification of natural diatomite and zeolite material by chlorosilanes is demonstrated. Chlorosilanes used were trimethylchlorosilane (TMSCI), tert-butyldimethylchlorosilane (TBDMSCI), dimethyloctadecylchlorosilane (DMODSCI), and diphenyldichlorosilane (DPDSCI) possessing different headgroups and chemical properties. Silanol groups of the diatomite and zeolite were modified by chemical reaction with the chlorosilanes resulting in a stable covalent attachment of the organosilanes to the mineral surface. The alteration of surface properties of the modified material was proved by measurements of water adsorption capacity, total organic carbon (TOC) content, and thermoanalytical data. The surface modified material showed great stability even when exposed to extremes in ionic strength, pH, and to pure organic solvents. Sorption of toluene, o-xylene, and naphthalene from water was greatly enhanced by the surface modification compared to the untreated materials which showed no measurable sorption of these compounds. The enhanced sorption was dependent on the organic carbon content as well as on chemical characteristics of the chlorosilanes used. Batch sorption experiments showed that the phenyl headgroups of DPDSCI have the best affinity for aromatic compounds. Removal from an aqueous solution of 10 mg/L of naphthalene, o-xylene, and toluene was 71%, 60%, and 30% for surface modified diatomite and 51%, 30%, and 16% for modified clinoptilolite, respectively. Sorption data were well described by the Freundlich isotherm equation, which indicated physical adsorption onto the lipophilic surface rather than partitioning into the surface organic phase. The chlorosilane modified materials have an apparent potential for application in environmental technologies such as permeable reactive barriers (PRB) or wastewater treatment.

Phosphorus removal from aqueous solution in parent and aluminum-modified eggshells: thermodynamics and kinetics, adsorption mechanism, and diffusion process.

PubMed

Guo, Ziyan; Li, Jiuhai; Guo, Zhaobing; Guo, Qingjun; Zhu, Bin

2017-06-01

Parent and aluminum-modified eggshells were prepared and characterized with X-ray diffraction, specific surface area measurements, infrared spectroscopy, zeta potential, and scanning electron microscope, respectively. Besides, phosphorus adsorptions in these two eggshells at different temperatures and solution pH were carried out to study adsorption thermodynamics and kinetics as well as the mechanisms of phosphorus adsorption and diffusion. The results indicated that high temperature was favorable for phosphorus adsorption in parent and aluminum-modified eggshells. Alkaline solution prompted phosphorus adsorption in parent eggshell, while the maximum adsorption amount was achievable at pH 4 in aluminum-modified eggshell. Adsorption isotherms of phosphorus in these eggshells could be well described by Langmuir and Freundlich models. Phosphorus adsorption amounts in aluminum-modified eggshell were markedly higher compared to those in parent eggshell. Adsorption heat indicated that phosphorus adsorption in parent eggshell was a typically physical adsorption process, while chemical adsorption mechanism of ion exchange between phosphorus and hydroxyl groups on the surface of eggshells was dominated in aluminum-modified eggshell. The time-resolved uptake curves showed phosphorus adsorption in aluminum-modified eggshell was significantly faster than that in parent eggshell. Moreover, there existed two clear steps in time-resolved uptake curves of phosphorus in parent eggshell. Based on pseudo-second order kinetic model and intraparticle diffusion model, we inferred more than one process affected phosphorus adsorption. The first process was the diffusion of phosphorus through water to external surface and the opening of pore channel in the eggshells, and the second process was mainly related to intraparticle diffusion.

Effects of hydrogen peroxide, modified atmosphere and their combination on quality of minimally processed cluster beans.

PubMed

Waghmare, Roji B; Annapure, Uday S

2017-10-01

The aim of this study was to determine the potential of hydrogen peroxide (H 2 O 2 ) and modified atmosphere packaging (MAP) on quality of fresh-cut cluster beans. Fresh-cut cluster beans were dipped in a solution of 2% H 2 O 2 for 2 min, packed in an atmosphere of (5% O 2 , 10% CO 2 , 85% N 2 ) and stored in polypropylene bags at 5 °C for 35 days. Passive MAP was created by consuming O 2 and producing CO 2 by fresh-cut cluster beans. The combined effect of H 2 O 2 and MAP on physico-chemical analysis (Headspace gas, weight loss, chlorophyll, hardness and color), microbial quality (mesophilic aerobics and yeasts and molds) and sensory analysis were studied. Chemical treatment and MAP both are equally effective in extending the shelf life at 5 °C for 28 days. Hence, MAP can be an alternative for chemical treatment to achieve a shelf life of 28 days for fresh-cut cluster beans. Control samples, without chemical treatment and modified atmosphere, stored at 5 °C were spoiled after 14 days. Chemical treatment followed by MAP underwent minimum changes in weight, chlorophyll, hardness and color of fresh-cut cluster beans. Combination treatment gives a storage life of 35 days.

Crab shell chitin whiskers reinforced natural rubber nanocomposites. 3. Effect of chemical modification of chitin whiskers.

PubMed

Gopalan Nair, Kalaprasad; Dufresne, Alain; Gandini, Alessandro; Belgacem, Mohamed Naceur

2003-01-01

The purpose of this study was to chemically modify the surface of chitin whiskers and to investigate the effect of the incorporation of these modified whiskers into a natural rubber (NR) matrix on the properties of the ensuing nanocomposite. Different chemical coupling agents were tested, namely, phenyl isocyanate (PI), alkenyl succinic anhydride (ASA) (Accosize 18 from American Cyanamid), and 3-isopropenyl-alpha,alpha'-dimethylbenzyl isocyanate (TMI). The extent of chemical modification was evaluated by Fourier transform infrared (FTIR) spectroscopy, transmission electron microscopy (TEM), and surface energy analysis. After chemical modification, nanocomposite films were obtained using a toluene natural rubber solution in which the whiskers were dispersed. Their mechanical properties were found to be inferior to those of unmodified chitin/NR composites presented in our previous study. In fact, even though there is an increase in filler-matrix interaction as a result of chemical modification of the chitin whiskers, this does not contribute to the improvement in the mechanical properties of the resulting nanocomposite. It is concluded that this loss of performance is due to the partial destruction of the three-dimensional network of chitin whiskers assumed to be present in the unmodified composites.

Molecular gated-AlGaN/GaN high electron mobility transistor for pH detection.

PubMed

Ding, Xiangzhen; Yang, Shuai; Miao, Bin; Gu, Le; Gu, Zhiqi; Zhang, Jian; Wu, Baojun; Wang, Hong; Wu, Dongmin; Li, Jiadong

2018-04-18

A molecular gated-AlGaN/GaN high electron mobility transistor has been developed for pH detection. The sensing surface of the sensor was modified with 3-aminopropyltriethoxysilane to provide amphoteric amine groups, which would play the role of receptors for pH detection. On modification with 3-aminopropyltriethoxysilane, the transistor exhibits good chemical stability in hydrochloric acid solution and is sensitive for pH detection. Thus, our molecular gated-AlGaN/GaN high electron mobility transistor acheived good electrical performances such as chemical stability (remained stable in hydrochloric acid solution), good sensitivity (37.17 μA/pH) and low hysteresis. The results indicate a promising future for high-quality sensors for pH detection.

Landscape linkages between geothermal activity and solute composition and ecological response in surface waters draining the Atlantic slope of Costa Rica

USGS Publications Warehouse

Pringle, Catherine M.; Rowe, Gary L.; Triska, Frank J.; Fernandez, Jose F.; West, John

1993-01-01

Surface waters draining three different volcanoes in Costa Rica, ranging from dormant to moderately active to explosive, have a wide range of solute compositions that partly reflects the contribution of different types of solute-rich, geothermal waters. Three major physical transport vectors affect flows of geothermally derived solutes: thermally driven convection of volcanic gases and geothermal fluids; lateral and gravity-driven downward transport of geothermal fluids; and wind dispersion of ash, gases, and acid rain. Specific vector combinations interact to determine landscape patterns in solute chemistry and biota: indicator taxa of algae and bacteria reflect factors such as high temperature, wind-driven or hydrologically transported acidity, high concentrations of various solutes, and chemical precipitation reactions. Many streams receiving geothermally derived solutes have high levels of soluble reactive phosphorus (SRP) (up to 400 µg liter−1), a nutrient that is typically not measured in geochemical studies of geothermal waters. Regional differences in levels of SRP and other solutes among volcanoes were typically not significant due to high local variation in solute levels among geothermally modified streams and between geothermally modified and unmodified streams on each volcano. Geothermal activity along the volcanic spine of Costa Rica provides a natural source of phosphorus, silica, and other solutes and plays an important role in determining emergent landscape patterns in the solute chemistry of surface waters and aquatic biota.

A New Green Ionic Liquid-Based Corrosion Inhibitor for Steel in Acidic Environments.

PubMed

Atta, Ayman M; El-Mahdy, Gamal A; Al-Lohedan, Hamad A; Ezzat, Abdel Rahman O

2015-06-17

This work examines the use of new hydrophobic ionic liquid derivatives, namely octadecylammonium tosylate (ODA-TS) and oleylammonium tosylate (OA-TS) for corrosion protection of steel in 1 M hydrochloric acid solution. Their chemical structures were determined from NMR analyses. The surface activity characteristics of the prepared ODA-TS and OA-TS were evaluated from conductance, surface tension and contact angle measurements. The data indicate the presence of a double bond in the chemical structure of OA-TS modified its surface activity parameters. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) measurements, scanning electron microscope (SEM), Energy dispersive X-rays (EDX) analysis and contact angle measurements were utilized to investigate the corrosion protection performance of ODA-TS and OA-TS on steel in acidic solution. The OA-TS and ODA-TS compounds showed good protection performance in acidic chloride solution due to formation of an inhibitive film on the steel surface.

Glucose oxidase immobilization on different modified surfaces of platinum nanowire for application in glucose detection

NASA Astrophysics Data System (ADS)

Thanh Tuyen Le, Thi; Duy Tran, Phu; Pham, Xuan Tung; Hien Tong, Duy; Chien Dang, Mau

2010-09-01

In this work, the surface of platinum (Pt) nanowires was modified by using several chemicals, including a compound of gelatin gel with SiO2, polyvinyl alcohol (PVA) with Prussian blue (PB) mediator and cysteamine self-assembled monolayers (SAM). Then, glucose oxidase (GOD) enzyme was immobilized on the modified surfaces of Pt nanowire electrodes by using techniques of electrochemical adsorption and chemical binding. The GOD immobilized Pt nanowires were used for application in glucose detection by performing a cyclic voltammetry measurement. The detection results showed that GOD was immobilized on all of the tested surfaces and the highest glucose detection sensitivity of 60 μM was obtained when the Pt nanowires were modified by PVA with PB mediator. Moreover, the sensors showed very high current response when the Pt nanowires were modified with the cysteamine SAM. The stability and catalyst activity of GOD are also reported here. For instance, the catalyst activity of GOD retained about 60% of its initial value after it was stored at 4 °C in a 100 mM PBS buffer solution with a pH of 7.2 for a period of 30 days.

Impact of trehalose on the activity of sodium and potassium chloride in aqueous solutions: Why trehalose is worth its salt.

PubMed

Poplinger, Michal; Shumilin, Ilan; Harries, Daniel

2017-12-15

Trehalose is revered for its multiple unique impacts on solution properties, including the ability to modulate the salty and bitter tastes of sodium and potassium salts. However, the molecular mechanisms underlying trehalose's effect on taste perception are unknown. Here we focus on the physico-chemical effect of trehalose to alter the activity of monovalent salts in aqueous solution. Using a modified isopiestic methodology that relies on contemporary vapor pressure osmometry, we elucidate how trehalose modifies the thermodynamic chemical activity of sodium and potassium chloride, as well as the effect of the salts on the sugar's activity. We find that trehalose has a specific impact on potassium chloride that is unlike that of other sugars or polyols. Remarkably, especially at low salt concentrations, trehalose considerably elevates the activity (or chemical potential) of KCl, raising the salt activity coefficient as high as ∼1.5 its value in the absence of the sugar. Moreover, in contrast to their action on other known carbohydrates, both KCl and NaCl act as salting-out agents towards trehalose, as seen in the elevated activity coefficient compared with its value in pure water (up to ∼1.5 higher at low sugar and salt concentrations). We discuss the possible relevance of our findings to the mechanism of trehalose taste perception modification, and point to necessary future directed sensory experiments needed to resolve the possible link between our findings and the emerging biochemical or physiological mechanisms involved. Copyright © 2017 Elsevier Ltd. All rights reserved.

Role of the chemical substitution on the luminescence properties of solid solutions Ca{sub (1−x)}Cd{sub (x)}WO{sub 4} (0 ≤ x ≤1)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taoufyq, A.; Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir; CEA, DEN, Département d'Etudes des Réacteurs, Service de Physique Expérimentale, Laboratoire Dosimétrie Capteurs Instrumentation, 13108 Saint-Paul-lez-Durance

2015-10-15

Highlights: • Luminescence can be modified by chemical substitution in solid solutions Ca{sub 1−x}Cd{sub x}WO{sub 4}. • The various emission spectra (charge transfer) were obtained under X-ray excitation. • Scheelite or wolframite solid solutions presented two types of emission spectra. • A luminescence component depended on cadmium substitution in each solid solution. • A component was only characteristic of oxyanion symmetry in each solid solution. - Abstract: We have investigated the chemical substitution effects on the luminescence properties under X-ray excitation of the solid solutions Ca{sub (1−x)}Cd{sub (x)}WO{sub 4} with 0 ≤ x ≤ 1. Two types of wide spectralmore » bands, associated with scheelite-type or wolframite-type solid solutions, have been observed at room temperature. We decomposed each spectral band into several spectral components characterized by energies and intensities varying with composition x. One Gaussian component was characterized by an energy decreasing regularly with the composition x, while the other Gaussian component was only related to the tetrahedral or octahedral configurations of tungstate groups WO{sub 4}{sup 2−} or WO{sub 6}{sup 6−}. The luminescence intensities exhibited minimum values in the composition range x < 0.5 corresponding to scheelite-type structures, then, they regularly increased for cadmium compositions x > 0.5 corresponding to wolframite-type structures.« less

A multi-scale Lattice Boltzmann model for simulating solute transport in 3D X-ray micro-tomography images of aggregated porous materials

NASA Astrophysics Data System (ADS)

Zhang, Xiaoxian; Crawford, John W.; Flavel, Richard J.; Young, Iain M.

2016-10-01

The Lattice Boltzmann (LB) model and X-ray computed tomography (CT) have been increasingly used in combination over the past decade to simulate water flow and chemical transport at pore scale in porous materials. Because of its limitation in resolution and the hierarchical structure of most natural soils, the X-ray CT tomography can only identify pores that are greater than its resolution and treats other pores as solid. As a result, the so-called solid phase in X-ray images may in reality be a grey phase, containing substantial connected pores capable of conducing fluids and solute. Although modified LB models have been developed to simulate fluid flow in such media, models for solute transport are relatively limited. In this paper, we propose a LB model for simulating solute transport in binary soil images containing permeable solid phase. The model is based on the single-relaxation time approach and uses a modified partial bounce-back method to describe the resistance caused by the permeable solid phase to chemical transport. We derive the relationship between the diffusion coefficient and the parameter introduced in the partial bounce-back method, and test the model against analytical solution for movement of a pulse of tracer. We also validate it against classical finite volume method for solute diffusion in a simple 2D image, and then apply the model to a soil image acquired using X-ray tomography at resolution of 30 μm in attempts to analyse how the ability of the solid phase to diffuse solute at micron-scale affects the behaviour of the solute at macro-scale after a volumetric average. Based on the simulated results, we discuss briefly the danger in interpreting experimental results using the continuum model without fully understanding the pore-scale processes, as well as the potential of using pore-scale modelling and tomography to help improve the continuum models.

Development of a stable cation modified graphene oxide membrane for water treatment

NASA Astrophysics Data System (ADS)

Yu, Wenzheng; (Yet Yu, Tong; Graham, Nigel

2017-12-01

Membranes prepared from layers of graphene oxide (GO) offer substantial advantages over conventional materials for water treatment (e.g. greater flux), but the stability of GO membranes in water has not been achieved until now. In this study the behavior of GO membranes prepared with different quantities and species of cations has been investigated to establish the feasibility of their application in water treatment. A range of cation-modified GO membranes were prepared and exposed to aqueous solutions containing specific chemical constituents. In pure water, unmodified and Na-modified GO membranes were highly unstable, while GO membranes modified with multivalent cations were stable provided there were sufficient quantities of cations present; their relative capability to achieve GO stability was as follows: Al3+  >  Ca2+  >  Mg2+  >  Na+. It is believed that the mechanism of cross-linking, and membrane stability, is via metal-carboxylate chelates and cation-graphite surface interactions (cation-π interaction), and that the latter appears to increase with increasing cation valency. The instability of cation (Ca or Al)-modified GO membranes by NaCl solutions during permeation occurred as Na+ exchanged with the incorporated multivalent cations, but a high content of Al3+ in the GO membrane impeded Al3+/Na+ exchange and thus retained membrane stability. In solutions containing biopolymers representative of surface waters or seawater (protein and polysaccharide solutions), Ca-GO membranes (even with high Ca2+ content) were not stable, while Al-GO membranes were stable if the Al3+ content was sufficiently high; Al-formed membranes also had a greater flux than Ca-GO membranes.

Comparison of some effects of modification of a polylactide surface layer by chemical, plasma, and laser methods

NASA Astrophysics Data System (ADS)

Moraczewski, Krzysztof; Rytlewski, Piotr; Malinowski, Rafał; Żenkiewicz, Marian

2015-08-01

The article presents the results of studies and comparison of selected properties of the modified PLA surface layer. The modification was carried out with three methods. In the chemical method, a 0.25 M solution of sodium hydroxide in water and ethanol was utilized. In the plasma method, a 50 W generator was used, which produced plasma in the air atmosphere under reduced pressure. In the laser method, a pulsed ArF excimer laser with fluency of 60 mJ/cm2 was applied. Polylactide samples were examined by using the following techniques: scanning electron microscopy (SEM), atomic force microscopy (AFM), goniometry and X-ray photoelectron spectroscopy (XPS). Images of surfaces of the modified samples were recorded, contact angles were measured, and surface free energy was calculated. Qualitative and quantitative analyses of chemical composition of the PLA surface layer were performed as well. Based on the survey it was found that the best modification results are obtained using the plasma method.

Alteration in the immunochemical dominance of determinants following the chemical modification of ox insulins: implications for the structure of the ox insulin monomer in solution.

PubMed Central

Hollins, P J; Nathan, M M

1979-01-01

Insulins of differing species, together with chemically modified insulins, were used in cross-reactivity experiments employing selected antisera raised to ox insulin in the Harley guinea-pig. The immunogen had been administered as a water-in-oil emulsion, using H. pertussis vaccine as adjuvant. Antibody was generated by determinants in the C-terminus of the B chain plus the adjacent N-terminus of the A chain, in the central core of the A chain (A8-A14 region) and in its anti-parallel N-terminus of the B chain. From this antibody pool chemically modified ox insulin selected antibody to unaltered determinants. The immunochemical data were compatible with monomeric ox insulin being immunogenic, the immunogen perhaps being recognized by the immune system in the form of the Molecule-II rather than the Molecule-I of the dimer pair (as originally suggested by X-ray crystallographic data). PMID:93526

MyMolDB: a micromolecular database solution with open source and free components.

PubMed

Xia, Bing; Tai, Zheng-Fu; Gu, Yu-Cheng; Li, Bang-Jing; Ding, Li-Sheng; Zhou, Yan

2011-10-01

To manage chemical structures in small laboratories is one of the important daily tasks. Few solutions are available on the internet, and most of them are closed source applications. The open-source applications typically have limited capability and basic cheminformatics functionalities. In this article, we describe an open-source solution to manage chemicals in research groups based on open source and free components. It has a user-friendly interface with the functions of chemical handling and intensive searching. MyMolDB is a micromolecular database solution that supports exact, substructure, similarity, and combined searching. This solution is mainly implemented using scripting language Python with a web-based interface for compound management and searching. Almost all the searches are in essence done with pure SQL on the database by using the high performance of the database engine. Thus, impressive searching speed has been archived in large data sets for no external Central Processing Unit (CPU) consuming languages were involved in the key procedure of the searching. MyMolDB is an open-source software and can be modified and/or redistributed under GNU General Public License version 3 published by the Free Software Foundation (Free Software Foundation Inc. The GNU General Public License, Version 3, 2007. Available at: http://www.gnu.org/licenses/gpl.html). The software itself can be found at http://code.google.com/p/mymoldb/. Copyright © 2011 Wiley Periodicals, Inc.

Evaluation of nitrate and phosphate adsorption on Al-modified biochar: Influence of Al content.

PubMed

Yin, Qianqian; Ren, Huaipu; Wang, Ruikun; Zhao, Zhenghui

2018-08-01

Biochars with different Al contents (i.e., 5, 10, 15, and 20 wt%) were prepared to evaluate their adsorption capacities for nitrate (NO 3 - ) and phosphate (PO 4 3- ) from eutrophic water. Several techniques, including N 2 adsorption-desorption, X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectrometry, were applied to characterize the physical-chemical properties of the biochars. We found that the NO 3 - and PO 4 3- adsorptions significantly improved on the Al-modified biochars because of their multifunctional and surface charge properties. In single-solute adsorption, 15 Al/BC and 20 Al/BC exhibited optimal NO 3 - and PO 4 3- adsorption capacities, respectively. In bi-solute coadsorption, the PO 4 3- adsorption on the biochar was less affected with the coexistence of NO 3 - , whereas the coexistence of PO 4 3- had a significant impact on the NO 3 - adsorption. The optimal solution pH for NO 3 - adsorption was 6, and pH < 6 was advantageous to PO 4 3- adsorption. In the kinetic study, the pseudo-second-order model could describe the NO 3 - and PO 4 3- adsorptions on biochar well, indicating that chemical adsorption was the main adsorption mechanism. The Langmuir-Freundlich model agreed well with the NO 3 - and PO 4 3- adsorptions on the biochars, and the maximum adsorption capacities for NO 3 - and PO 4 3- reached 89.58 mg/g and 57.49 mg/g, respectively. Therefore, the Al-modified biochar was a good choice for the remediation of eutrophic water. Copyright © 2018 Elsevier B.V. All rights reserved.

Aquifer modification: an approach to improve the mobility of nanoscale zero-valent iron particles used for in situ groundwater remediation

NASA Astrophysics Data System (ADS)

MicicBatka, Vesna; Schmid, Doris; Marko, Florian; Velimirovic, Milica; Wagner, Stephan; von der Kammer, Frank; Hofmann, Thilo

2015-04-01

Successful emplacement of nanoscale zero-valent iron (nZVI) within the contaminated source zone is a prerequisite for the use of nZVI technology in groundwater remediation. Emplacement of nZVI is influenced i.e., by the injection technique and the injection velocity applied, as well as by the mobility of nZVI in the subsurface. Whereas processes linked to the injection can be controlled by the remediation practitioners, the mobility of nZVI in the subsurface remains limited. Even though mobility of nZVI is somewhat improved by surface coating with polyelectrolytes, it is still greatly affected by the groundwater composition and physical and chemical heterogeneities of aquifer grains. In order to promote mobility of nZVI it is needed to alter the surface charge heterogeneities of aquifer grains. Modifying the aquifer grain's surfaces by means of polyelectrolyte coating is an approach proposed to increase the overall negative surface charge of the aquifer grain surfaces, hinder deposition of nZVI onto aquifer grains, and finally promote nZVI mobility. In this study the effect of different polyelectrolytes on the nZVI mobility is tested in natural sands deriving from real brownfield sites that are proposed to be remediated using the nZVI technology. Sands collected from brownfield sites were characterized in terms of grain size distribution, mineralogical and chemical composition, and organic carbon content. Furthermore, surface charge of these sands was determined in both, low- and high ionic strength background solutions. Finally, changes of the sand's surface charges were examined after addition of the proposed aquifer modifiers, lignin sulfonate and humic acid. Surface charge of brownfield sands in low ionic strength background solution is more negative compared to that in high ionic strength background solution. An increase in negative surface potential of brownfield sand was recorded when aquifer modifiers were applied in a background solution with low ionic strength, indicating their potential to improve nZVI mobility under comparable environmental conditions. In contrast, no significant change of the surface potential of brownfield sand was observed when aquifer modifiers were applied in a background solution with high ionic strength. The potential of the aquifer modifiers to promote the mobility of nZVI was furthermore tested in flow-through columns, starting with the one filled with natural quartz sand with rough surface, low ionic strength background solutions and pre-injecting lignin sulfonate in concentration of 50 mg/L. The preliminary results showed that the pre-injection of lignin sulfonate does increase mobility of nZVI under this experimental condition. Further mobility tests will be carried out in order to elucidate the potential of the aquifer modifiers to promote the mobility of nZVI in sands with a complex mineralogy and in the background solutions with varying ionic strength, in order to account for the condition that resemble those at polluted sites. This research receives funding from the European Union's Seventh Framework Programme FP7/2007-2013 under grant agreement n°309517.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takeshita, Kenji

A mathematical model to predict the extraction behavior of metal ion between a polymer gel and an aqueous solution was proposed. It consists of the Flory-Huggins formula for evaluating thermodynamically the physico-chemical properties of polymer gel, the modified Stokes-Einstein equation to evaluate the mass transfer rate of metal ion into polymer gel and the equation to evaluate the extraction equilibrium. The extraction of lanthanide elements, Nd(III), Sm(III) and Gd(III), from an aqueous solution containing nitrate ion was carried out by the use of SDB (styrene-divinylbenzene copolymer) gel swollen with a bidentate organophosphorus compound, CMP (dihexyl-N,N-diethylcarbamoylmethylpohosphonate). The binary extraction and themore » effect of the crosslinking degree of SDB gel on the extraction rate were examined. These experimental results were in agreement with the predictions calculated by the proposed model. It was confirmed that the extraction behavior of lanthanide ions into the SDB gel was predicted accurately, when the physico-chemical properties of SDB gel, such as the affinity between SDB and CMP ({chi}) and the crosslinking degree ({nu}{sub e}), and a coefficient defined in the modified Stokes-Einstein equation (K{sub 0}) were known. This model is available as a tool to design an extraction chromatographic process using polymer gel.« less

Modified Separator Performing Dual Physical/Chemical Roles to Inhibit Polysulfide Shuttle Resulting in Ultrastable Li-S Batteries.

PubMed

Abbas, Syed Ali; Ding, Jiang; Wu, Sheng Hui; Fang, Jason; Boopathi, Karunakara Moorthy; Mohapatra, Anisha; Lee, Li Wei; Wang, Pen-Cheng; Chang, Chien-Cheng; Chu, Chih Wei

2017-12-26

In this paper we describe a modified (AEG/CH) coated separator for Li-S batteries in which the shuttling phenomenon of the lithium polysulfides is restrained through two types of interactions: activated expanded graphite (AEG) flakes interacted physically with the lithium polysulfides, while chitosan (CH), used to bind the AEG flakes on the separator, interacted chemically through its abundance of amino and hydroxyl functional groups. Moreover, the AEG flakes facilitated ionic and electronic transfer during the redox reaction. Live H-cell discharging experiments revealed that the modified separator was effective at curbing polysulfide shuttling; moreover, X-ray photoelectron spectroscopy analysis of the cycled separator confirmed the presence of lithium polysulfides in the AEG/CH matrix. Using this dual functional interaction approach, the lifetime of the pure sulfur-based cathode was extended to 3000 cycles at 1C-rate (1C = 1670 mA/g), decreasing the decay rate to 0.021% per cycle, a value that is among the best reported to date. A flexible battery based on this modified separator exhibited stable performance and could turn on multiple light-emitting diodes. Such modified membranes with good mechanical strength, high electronic conductivity, and anti-self-discharging shield appear to be a scalable solution for future high-energy battery systems.

Drag Reduction Effect of BSA Monodispersed Solution in Microtube Flow

NASA Astrophysics Data System (ADS)

Kanda, Kensuke; Yang, Ming

In recent biological and chemical analyses, microchips have attracted attention because of advantages such as high efficiency, small heat capacity, and high-speed reaction. Biochemical reagents and samples flow into the chips with the wall surface biologically or chemically modified. The mechanisms of the complex flow are not well-known. In this paper, the mechanisms are investigated using pressure drop measurements of the flow of BSA-(bovine serum albumin, protein generally used in analytical fields) dispersed solutions in microtubes with three kinds of surfaces: glass, PEEK (polyetheretherketone) and Hirec-X1 (a highly water-repellent agent, NTT-AT Co.), which have different properties. In the cases in which BSA solution flows on the Hirec-X1 and on the PEEK surface, results show reductions in the friction factor. On the other hand, in the case in which non BSA solution flow on any surface, results agree well with the Hagen-Poiseuille equation. Furthermore, reduction ratio in the friction factor depends on the concentration of BSA. These results imply that the interaction between the wall and the bio-molecules influences the behavior of the flow in microtubes.

Chemical etching mechanism and properties of microstructures in sapphire modified by femtosecond laser

NASA Astrophysics Data System (ADS)

Liu, Manyu; Hu, Youwang; Sun, Xiaoyan; Wang, Cong; Zhou, Jianying; Dong, Xinran; Yin, Kai; Chu, Dongkai; Duan, Ji'an

2017-01-01

Sapphire, with extremely high hardness, high-temperature stability and wear resistance, often corroded in molten KOH at 300 °C after processing. The fabrication of microstructures on sapphire substrate performed by femtosecond laser irradiation combined with KOH solution chemical etching at room temperature is presented. It is found that this method reduces the harsh requirements of sapphire corrosion. After femtosecond irradiation, the sapphire has a high corrosion speed at room temperature. Through the analysis of Raman spectrum and XRD spectrum, a novel insight of femtosecond laser interaction with sapphire (α-Al2O3) is proposed. Results indicated that grooves on sapphire surface were formed by the lasers ablation removal, and the groove surface was modified in a certain depth. The modified area of the groove surface was changed from α-Al2O3 to γ-Al2O3. In addition, the impacts of three experimental parameters, laser power, scanning velocities and etching time, on the width and depth of microstructures are investigated, respectively. The modified area dimension is about 2 μm within limits power and speed. This work could fabricate high-quality arbitrary microstructures and enhance the performance of sapphire processing.

MCM-41 impregnated with A zeolite precursor: Synthesis, characterization and tetracycline antibiotics removal from aqueous solution

PubMed Central

Liu, Minmin; Hou, Li-an; Yu, Shuili; Xi, Beidou; Zhao, Ying; Xia, Xunfeng

2013-01-01

In this paper, the MCM-41 has been modified by impregnation with zeolite A to prepare a kind of new adsorbent. The adsorption of TC from aqueous solutions onto modified MCM-41 has been studied. It was discovered that the adsorption capability of zeolite A modified MCM-41 (A-MCM-41) increased dramatically after modification. The modified MCM-41 was characterized by X-ray diffraction (XRD), nitrogen adsorption–desorption, Fourier Transform Infrared (FTIR) analysis, Transmission electron microscopy (TEM) images, and 29Si and 27Al Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) spectra. The modified MCM-41 structure was still retained after impregnated with zeolite A but the surface area and pore diameter decreased due to pore blockage. The adsorption of TC on modified MCM-41 was discussed regarding various parameters such as pH, initial TC concentration, and the reaction time. The pH effects on TC adsorption indicated that the adsorbents had better adsorption performances in acidic and neutral conditions. The adsorption isotherms were fitted well by the Langmuir model. The adsorption kinetics was well described by both pseudo-second order equation and the intra-particle diffusion model. The adsorption behavior in a fixed-bed column system followed Thomas model. The adsorption behavior of TC was the chemical adsorption with an ion exchange process and electrostatic adsorption. PMID:24976787

MCM-41 impregnated with A zeolite precursor: Synthesis, characterization and tetracycline antibiotics removal from aqueous solution.

PubMed

Liu, Minmin; Hou, Li-An; Yu, Shuili; Xi, Beidou; Zhao, Ying; Xia, Xunfeng

2013-05-01

In this paper, the MCM-41 has been modified by impregnation with zeolite A to prepare a kind of new adsorbent. The adsorption of TC from aqueous solutions onto modified MCM-41 has been studied. It was discovered that the adsorption capability of zeolite A modified MCM-41 (A-MCM-41) increased dramatically after modification. The modified MCM-41 was characterized by X-ray diffraction (XRD), nitrogen adsorption-desorption, Fourier Transform Infrared (FTIR) analysis, Transmission electron microscopy (TEM) images, and 29 Si and 27 Al Magic Angle Spinning Nuclear Magnetic Resonance (MAS NMR) spectra. The modified MCM-41 structure was still retained after impregnated with zeolite A but the surface area and pore diameter decreased due to pore blockage. The adsorption of TC on modified MCM-41 was discussed regarding various parameters such as pH, initial TC concentration, and the reaction time. The pH effects on TC adsorption indicated that the adsorbents had better adsorption performances in acidic and neutral conditions. The adsorption isotherms were fitted well by the Langmuir model. The adsorption kinetics was well described by both pseudo-second order equation and the intra-particle diffusion model. The adsorption behavior in a fixed-bed column system followed Thomas model. The adsorption behavior of TC was the chemical adsorption with an ion exchange process and electrostatic adsorption.

Characterization of a multi-metal binding biosorbent: Chemical modification and desorption studies.

PubMed

Abdolali, Atefeh; Ngo, Huu Hao; Guo, Wenshan; Zhou, John L; Du, Bin; Wei, Qin; Wang, Xiaochang C; Nguyen, Phuoc Dan

2015-10-01

This work attends to preparation and characterization of a novel multi-metal binding biosorbent after chemical modification and desorption studies. Biomass is a combination of tea waste, maple leaves and mandarin peels with a certain proportion to adsorb cadmium, copper, lead and zinc ions from aqueous solutions. The mechanism involved in metal removal was investigated by SEM, SEM/EDS and FTIR. SEM/EDS showed the presence of different chemicals and adsorbed heavy metal ions on the surface of biosorbent. FTIR of both unmodified and modified biosorbents revealed the important role of carboxylate groups in heavy metal biosorption. Desorption using different eluents and 0.1 M HCl showed the best desorption performance. The effectiveness of regeneration step by 1 M CaCl2 on five successive cycles of sorption and desorption displays this multi-metal binding biosorbent (MMBB) can effectively be utilized as an adsorbent to remove heavy metal ions from aqueous solutions in five cycles of sorption/desorption/regeneration. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis and properties of platinum on multiwall carbon nanotube modified by chitosan

NASA Astrophysics Data System (ADS)

Fikriyyah, A. K.; Chaldun, E. R.; Indriyati

2018-03-01

Platinum nanoparticles on multiwall carbon nanotubes (Pt/MWCNT) play an important role in fuel cell to convert the chemical energy from a fuel into electricity. In this study, Pt/MWCNT electrocatalysts were prepared by chemical reduction of the metal salts in chitosan as the support. Firstly, commercial MWCNTs were functionalized by oxidative process using a mixture of nitric acid and sulfuric acid. Then, functionalized MWCNTs were mixed with chitosan-acetic acid solution to conduct grafting reaction with NH2 groups in chitosan by solution polymerization method. Platinum nanoparticles were loaded onto the surface of the MWCNTs after hexachloroplatinic acid was reduced by sodium hydroxide solution. The result showed that Pt was attached on MWCNT based on analysis from EDS, XRD, and UV Vis Spectroscopy. UV Vis analysis indicates the plasmon absorbance band of Pt nanoparticles in Pt/MWCNT, while XRD analysis confirmed the size of Pt particle in nanometer. This elucidates the potential procedure to synthesize Pt/MWCNT using chitosan.

Crystalline hydroxyapatite coatings synthesized under hydrothermal conditions on modified titanium substrates.

PubMed

Suchanek, Katarzyna; Bartkowiak, Amanda; Gdowik, Agnieszka; Perzanowski, Marcin; Kąc, Sławomir; Szaraniec, Barbara; Suchanek, Mateusz; Marszałek, Marta

2015-06-01

Hydroxyapatite coatings were successfully produced on modified titanium substrates via hydrothermal synthesis in a Ca(EDTA)(2-) and (NH4)2HPO4 solution. The morphology of modified titanium substrates as well as hydroxyapatite coatings was studied using scanning electron microcopy and phase identification by X-ray diffraction, and Raman and FTIR spectroscopy. The results show that the nucleation and growth of hydroxyapatite needle-like crystals with hexagonal symmetry occurred only on titanium substrates both chemically and thermally treated. No hydroxyapatite phase was detected on only acid etched Ti metal. This finding demonstrates that only a particular titanium surface treatment can effectively induce the apatite nucleation under hydrothermal conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

Thermosensitive chitosan/glycerophosphate-based hydrogel and its derivatives in pharmaceutical and biomedical applications.

PubMed

Supper, Stephanie; Anton, Nicolas; Seidel, Nina; Riemenschnitter, Marc; Curdy, Catherine; Vandamme, Thierry

2014-02-01

Thermogelling chitosan (CS)/glycerophosphate (GP) solutions have been reported as a new type of parenteral in situ forming depot system. These free-flowing solutions at ambient temperature turn into semi-solid hydrogels after parenteral administration. Formulation parameters such as CS physico-chemical characteristics, CS/gelling agent ratio or pH of the system, were acknowledged as key parameters affecting the solution stability, the sol/gel transition behavior and/or the final hydrogel structure. We discuss also the use of the standard CS/GP thermogels for various biomedical applications, including drug delivery and tissue engineering. Furthermore, this manuscript reviews the different strategies implemented to improve the hydrogel characteristics such as combination with carrier particles, replacement of GP, addition of a second polymer and chemical modification of CS. The recent advances in the formulation of CS-based thermogelling systems already overcame several challenges faced by the standard CS/GP system. Dispersion of drug-loaded carrier particles into the thermogels allowed achieving prolonged release profiles for low molecular weight drugs; incorporation of an additional polymer enabled to strengthen the network, while the use of chemically modified CS led to enhanced pH sensitivity or biodegradability of the matrix.

Peptide and RNA contributions to iron-sulphur chemical gardens as life's first inorganic compartments, catalysts, capacitors and condensers.

PubMed

McGlynn, Shawn E; Kanik, Isik; Russell, Michael J

2012-06-28

Hydrothermal chimneys and compartments comprising transition metal sulphides and associated minerals have been proposed as likely locations for the beginnings of life. In laboratory simulations of off-axis alkaline springs, it is shown that the interaction of a simulated alkaline sulphide-bearing submarine vent solution with a primeval anoxic iron-bearing ocean leads to the formation of chimney structures reminiscent of chemical gardens. These chimneys display periodicity in their deposition and exhibit diverse morphologies and mineralogies, affording the possibilities of catalysis and molecular sequestration. The addition of peptides and RNA to the alkaline solution modifies the elemental stoichiometry of the chimneys-perhaps indicating the very initial stage of the organic takeover on the way to living cells by charged organic polymers potentially synthesized in this same environment.

Prototype development of ion exchanging alpha detectors

NASA Astrophysics Data System (ADS)

Krupp, Dominik; Scherer, Ulrich W.

2018-07-01

In contemporary alpha particle spectrometry, the sample preparation is separated from the detection of the radionuclides. The sample preparation itself requires much time and the equipment of a radiochemistry lab. If sample preparation and detection could be combined in one step, a huge time-saving potential becomes available. One way to realize such a combination is described here. The concept was explored by simulations with the well-established computer programs SRIM and AASI. In a proof of concept, the active surface of commercially available alpha detectors was modified with sulfonic acid groups as a well-known type of cation exchanger. It was shown, that in contrast to a pristine detector, a chemically modified detector is able to extract uranium-238 and -234 selectively as uranyl cations onto the detector surface from a diluted [238/234U]uranyl acetate solution. It was possible to measure directly in the sample solution for one week or to prepare the modified detector surfaces within 30 s for measurements in conventional alpha chambers. In either case, the full width at half maximum of the measured spectra was around 100 keV, allowing a clear nuclide identification. After regenerating the cation exchanger surfaces by rinsing with hydrochloric acid the typical uranium spectra had disappeared, proving chemical bonding of the uranium. Due to the large variety of potential functional groups this new way of alpha spectrometry could be beneficial for all fields of alpha particle spectrometry, from environmental analysis, over security measurements to studies of the heaviest elements.

Trimethylamine Sensors Based on Au-Modified Hierarchical Porous Single-Crystalline ZnO Nanosheets.

PubMed

Meng, Fanli; Zheng, Hanxiong; Sun, Yufeng; Li, Minqiang; Liu, Jinhuai

2017-06-22

It is of great significance for dynamic monitoring of foods in storage or during the transportation process through on-line detecting trimethylamine (TMA). Here, TMA were sensitively detected by Au-modified hierarchical porous single-crystalline ZnO nanosheets (HPSCZNs)-based sensors. The HPSCZNs were synthesized through a one-pot wet-chemical method followed by an annealing treatment. Polyethyleneimine (PEI) was used to modify the surface of the HPSCZNs, and then the PEI-modified samples were mixed with Au nanoparticles (NPs) sol solution. Electrostatic interactions drive Au nanoparticles loading onto the surface of the HPSCZNs. The Au-modified HPSCZNs were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy dispersive spectrum (EDS), respectively. The results show that Au-modified HPSCZNs-based sensors exhibit a high response to TMA. The linear range is from 10 to 300 ppb; while the detection limit is 10 ppb, which is the lowest value to our knowledge.

Trimethylamine Sensors Based on Au-Modified Hierarchical Porous Single-Crystalline ZnO Nanosheets

PubMed Central

Zheng, Hanxiong; Sun, Yufeng; Li, Minqiang; Liu, Jinhuai

2017-01-01

It is of great significance for dynamic monitoring of foods in storage or during the transportation process through on-line detecting trimethylamine (TMA). Here, TMA were sensitively detected by Au-modified hierarchical porous single-crystalline ZnO nanosheets (HPSCZNs)-based sensors. The HPSCZNs were synthesized through a one-pot wet-chemical method followed by an annealing treatment. Polyethyleneimine (PEI) was used to modify the surface of the HPSCZNs, and then the PEI-modified samples were mixed with Au nanoparticles (NPs) sol solution. Electrostatic interactions drive Au nanoparticles loading onto the surface of the HPSCZNs. The Au-modified HPSCZNs were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and energy dispersive spectrum (EDS), respectively. The results show that Au-modified HPSCZNs-based sensors exhibit a high response to TMA. The linear range is from 10 to 300 ppb; while the detection limit is 10 ppb, which is the lowest value to our knowledge. PMID:28640226

Remediation of Hg(II) from solutions using Cajanus cajan husk as a new sorbent.

PubMed

Devani, Mallappa A; Munshi, Basudeb; Oubagaranadin, John U Kennedy; Lal, Bipin Bihari; Mandal, Sandip

2017-08-01

In this work, biosorption of mercury(II) from solutions by normal and chemically modified husk of Cajanus cajan has been explored under batch conditions. The thermogravimetric analysis of the normal biosorbent showed a surface water loss of 6.56%, 9.26% volatile matter, and 81.81% organic matter. The scanning electron microscope image indicates that the biosorbent exhibited irregular and porous structures. The Fourier transform infra-red spectrum confirmed the presence of functional groups which are responsible for biosorption of mercury (II) from solutions after activation. The influence of initial pH of solutions, initial metal concentrations, and temperature on mercury(II) uptake by the biosorbents was evaluated. The biosorption followed the Langmuir model. Maximum metal uptake was obtained as 68 and 82 mg/g for an initial mercury(II) concentration of 150 mg/L for normal and chemically activated biosorbents, respectively, at a most favorable solution pH of 5.5. The kinetics of sorption obeyed the pseudo-second-order model. An endothermic nature of the biosorption process was observed. A two-stage biosorber reduced the consumption of the biosorbents by 3.49% and 16.52% for 100 and 150 mg/L, respectively. The novelty of the work is C. cajan husk proves to be a potential biosorbent for mercury(II) from solutions.

Impact of the interaction with the positive charge in adsorption of benzene and other organic compounds from aqueous solutions on carbons

NASA Astrophysics Data System (ADS)

Terzyk, Artur P.; Ćwiertnia, Magdalena S.; Wiśniewski, Marek; Gauden, Piotr A.; Rychlicki, Gerhard; Szymański, Grzegorz S.

2007-02-01

We present the results of benzene adsorption at the acidic pH level determined on the series of chemically modified activated carbons and at three temperatures. The influence of carbon surface chemical composition on benzene adsorption is discussed. It is shown that the decrease in the pH level from 7 up to 1.5 increases benzene adsorption and the only exception is carbon modified with gaseous ammonia. Basing on the results of current work and those published previously (for phenol, paracetamol, acetanilide and aniline) and using the results of quantum chemistry calculations (DFT, Gaussian 98) we show, that the value of the energy of interaction with unit positive charge is crucial during the analysis of the influence of pH level on adsorption. Obtained results allow to predict the changes in adsorption of aromatics on carbons with the decrease in the pH level.

The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

PubMed

McLachlan, Michael S; Czub, Gertje; Wania, Frank

2002-11-15

Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental fate of persistent organic pollutants (POPs).

Reformulation and solution of the master equation for multiple-well chemical reactions.

PubMed

Georgievskii, Yuri; Miller, James A; Burke, Michael P; Klippenstein, Stephen J

2013-11-21

We consider an alternative formulation of the master equation for complex-forming chemical reactions with multiple wells and bimolecular products. Within this formulation the dynamical phase space consists of only the microscopic populations of the various isomers making up the reactive complex, while the bimolecular reactants and products are treated equally as sources and sinks. This reformulation yields compact expressions for the phenomenological rate coefficients describing all chemical processes, i.e., internal isomerization reactions, bimolecular-to-bimolecular reactions, isomer-to-bimolecular reactions, and bimolecular-to-isomer reactions. The applicability of the detailed balance condition is discussed and confirmed. We also consider the situation where some of the chemical eigenvalues approach the energy relaxation time scale and show how to modify the phenomenological rate coefficients so that they retain their validity.

Chemical Etching of Zinc Oxide for Thin-Film Silicon Solar Cells

PubMed Central

Hüpkes, Jürgen; Owen, Jorj I; Pust, Sascha E; Bunte, Eerke

2012-01-01

Abstract Chemical etching is widely applied to texture the surface of sputter-deposited zinc oxide for light scattering in thin-film silicon solar cells. Based on experimental findings from the literature and our own results we propose a model that explains the etching behavior of ZnO depending on the structural material properties and etching agent. All grain boundaries are prone to be etched to a certain threshold, that is defined by the deposition conditions and etching solution. Additionally, several approaches to modify the etching behavior through special preparation and etching steps are provided. PMID:22162035

Structural analysis and taste evaluation of γ-glutamyl peptides comprising sulfur-containing amino acids.

PubMed

Amino, Yusuke; Wakabayashi, Hidehiko; Akashi, Satoko; Ishiwatari, Yutaka

2018-03-01

The structures, flavor-modifying effects, and CaSR activities of γ-glutamyl peptides comprising sulfur-containing amino acids were investigated. The chemical structures, including the linkage mode of the N-terminal glutamic acid, of γ-L-glutamyl-S-(2-propenyl)-L-cysteine (γ-L-glutamyl-S-allyl-L-cysteine) and its sulfoxide isolated from garlic were established by comparing their NMR spectra with those of authentic peptides prepared using chemical methods. Mass spectrometric analysis also enabled determination of the linkage modes in the glutamyl dipeptides by their characteristic fragmentation. In sensory evaluation, these peptides exhibited flavor-modifying effects (continuity) in umami solutions less pronounced but similar to that of glutathione. Furthermore, the peptides exhibited intrinsic flavor due to the sulfur-containing structure, which may be partially responsible for their flavor-modifying effects. In CaSR assays, γ-L-glutamyl-S-methyl-L-cysteinylglycine was most active, which indicates that the presence of a medium-sized aliphatic substituent at the second amino acid residue in γ-glutamyl peptides enhances CaSR activity.

Mössbauer study of modified iron-molybdenum catalysts for methanol oxidation

NASA Astrophysics Data System (ADS)

Ivanov, K. I.; Mitov, I. G.; Krustev, St. V.; Boyanov, B. S.

2010-03-01

The preparation and catalytic properties of mixed Fe-Mo-W catalysts toward methanol oxidation are investigated. Mössbauer spectroscopy, X-ray diffraction and chemical studies revealed the formation of two types of solid solutions with compositions Fe2(MoxW1-xO4)3 and (MoxW1-x)O3. The solid solutions formed are characterized by high activity and selectivity upon methanol oxidation and are of interest in view of their practical application. Sodium-doped iron-molybdenum catalysts are also investigated and the NaFe(MoO4)2 formation was established.

Effect of Adding SiO2-Al2O3 Sol into Anodizing Bath on Corrosion Resistance of Oxidation Film on Magnesium Alloy

NASA Astrophysics Data System (ADS)

Liu, Huicong; Zhu, Liqun; Li, Weiping

Due to the widely use in automobile and construction field, AZ91D magnesium alloy need to be protected more effectively for its high chemical activity. In this paper, three kinds of films were formed on magnesium alloy. The first kind of film, named as anodic oxidation film, was prepared by anodic oxidation in the alkaline solution. The processes for preparing the second kind of film, named as multiple film, involved coating sol-gel on the samples and heat-treating before anodic oxidation. The third kind of film was prepared by anodic oxidation in the alkaline oxidation solution containning 5% (vol) SiO2-Al2O3 sol, named as modified oxidation film. The corrosion resistance of the three different films was investigated. The results showed that the modified oxidation film had the highest corrosion resistance due to the largest thickness and most dense surface morphology. Sol was discussed to react during the film forming process, which leaded to the difference between modified oxidation film and anodic oxidation film.

HNO3 modified biochars for uranium (VI) removal from aqueous solution.

PubMed

Jin, Jie; Li, Shiwei; Peng, Xianqiang; Liu, Wei; Zhang, Chenlu; Yang, Yan; Han, Lanfang; Du, Ziwen; Sun, Ke; Wang, Xiangke

2018-05-01

The HNO 3 treatment was used to chemically modify the biochars produced from wheat straw (WH) and cow manure for U(VI) removal from aqueous solution. Macroscopic experiments proved that the enrichment of U(VI) on the biochars was regulated by surface complexation and electrostatic interactions. FTIR and XPS analyses confirmed that the highly efficient adsorption of U(VI) was due to the carboxyl groups on the biochar surfaces. The reducing agents of the R-CH 2 OH groups facilitated U(VI) adsorption on the untreated biochars. Owing to the higher contents of surface COO groups and more negative surface charge, the modified biochars showed enhanced U(VI) adsorption ability than the untreated ones. The maximum adsorption capacity of U(VI) by the oxidized WH was calculated to be 355.6 mg/g at pH 4.5 and 298 K, which was an improvement of 40 times relative to the untreated WH and was higher than that of most carbon-based adsorbents. Copyright © 2018 Elsevier Ltd. All rights reserved.

Improved antifouling properties and selective biofunctionalization of stainless steel by employing heterobifunctional silane-polyethylene glycol overlayers and avidin-biotin technology

PubMed Central

Hynninen, Ville; Vuori, Leena; Hannula, Markku; Tapio, Kosti; Lahtonen, Kimmo; Isoniemi, Tommi; Lehtonen, Elina; Hirsimäki, Mika; Toppari, J. Jussi; Valden, Mika; Hytönen, Vesa P.

2016-01-01

A straightforward solution-based method to modify the biofunctionality of stainless steel (SS) using heterobifunctional silane-polyethylene glycol (silane-PEG) overlayers is reported. Reduced nonspecific biofouling of both proteins and bacteria onto SS and further selective biofunctionalization of the modified surface were achieved. According to photoelectron spectroscopy analyses, the silane-PEGs formed less than 10 Å thick overlayers with close to 90% surface coverage and reproducible chemical compositions. Consequently, the surfaces also became more hydrophilic, and the observed non-specific biofouling of proteins was reduced by approximately 70%. In addition, the attachment of E. coli was reduced by more than 65%. Moreover, the potential of the overlayer to be further modified was demonstrated by successfully coupling biotinylated alkaline phosphatase (bAP) to a silane-PEG-biotin overlayer via avidin-biotin bridges. The activity of the immobilized enzyme was shown to be well preserved without compromising the achieved antifouling properties. Overall, the simple solution-based approach enables the tailoring of SS to enhance its activity for biomedical and biotechnological applications. PMID:27381834

Improved antifouling properties and selective biofunctionalization of stainless steel by employing heterobifunctional silane-polyethylene glycol overlayers and avidin-biotin technology

NASA Astrophysics Data System (ADS)

Hynninen, Ville; Vuori, Leena; Hannula, Markku; Tapio, Kosti; Lahtonen, Kimmo; Isoniemi, Tommi; Lehtonen, Elina; Hirsimäki, Mika; Toppari, J. Jussi; Valden, Mika; Hytönen, Vesa P.

2016-07-01

A straightforward solution-based method to modify the biofunctionality of stainless steel (SS) using heterobifunctional silane-polyethylene glycol (silane-PEG) overlayers is reported. Reduced nonspecific biofouling of both proteins and bacteria onto SS and further selective biofunctionalization of the modified surface were achieved. According to photoelectron spectroscopy analyses, the silane-PEGs formed less than 10 Å thick overlayers with close to 90% surface coverage and reproducible chemical compositions. Consequently, the surfaces also became more hydrophilic, and the observed non-specific biofouling of proteins was reduced by approximately 70%. In addition, the attachment of E. coli was reduced by more than 65%. Moreover, the potential of the overlayer to be further modified was demonstrated by successfully coupling biotinylated alkaline phosphatase (bAP) to a silane-PEG-biotin overlayer via avidin-biotin bridges. The activity of the immobilized enzyme was shown to be well preserved without compromising the achieved antifouling properties. Overall, the simple solution-based approach enables the tailoring of SS to enhance its activity for biomedical and biotechnological applications.

A multifunctional polymeric nanofilm with robust chemical performances for special wettability.

PubMed

Wang, Yabin; Lin, Feng; Dong, Yaping; Liu, Zhong; Li, Wu; Huang, Yudong

2016-03-07

A multifunctional polymeric nanofilm of a triazinedithiolsilane compound, which can protect metallic substrates and activate the corresponding surface simultaneously, is introduced onto a copper mesh surface via facile solution-immersion approaches. The resultant interface exhibits hydrophilic features due to the existence of silanol groups (SiOH) outward and has the potential to act as a superhydrophilic and underwater superoleophobic material. As the polymeric nanofilm atop the copper mesh is modified with long-chain octadecyltrichlorosilane (OTS), the functionalized surface becomes superhydrophobic and superoleophilic. The OTS-modified polymeric nanofilm shows outstanding chemical durability and stability that are seldom concurrently satisfied for a material with special wettability, owing to its inherent architecture. These textures generate high separation efficiency, durable separation capability and excellent thermal stability. The protective ability, originating from the textures of the underlying cross-linked disulfide units (-SS-) and siloxane networks (SiOSi) on the top of the nanofilm, prolongs the chemical durability. The activating capability stemming from the residual SiOH groups improves the chemical stability as a result of the chemical bonds developed by these sites. The significant point of this investigation lies in enlightening us on the fabrication of multifunctional polymeric nanofilms on different metal surfaces using various triazinedithiolsilane compounds, and on the construction of interfaces with controllable wettable performances in demanding research or industrial applications.

Atmospheric Pressure Plasma Jet Treatment of Poly-ε-caprolactone Polymer Solutions To Improve Electrospinning.

PubMed

Grande, Silvia; Van Guyse, Joachim; Nikiforov, Anton Y; Onyshchenko, Iuliia; Asadian, Mahtab; Morent, Rino; Hoogenboom, Richard; De Geyter, Nathalie

2017-09-27

An atmospheric pressure plasma jet (APPJ) specifically designed for liquid treatment has been used in this work to improve the electrospinnability of a 5 w/v % solution of poly-ε-caprolactone (PCL) in a mixture of chloroform and N,N-dimethylformamide. Untreated PCL solutions were found to result in nonuniform fibers containing a large number of beads, whereas plasma-treated solutions (exposure time of 2-5 min) enabled the generation of beadless, uniform nanofibers with an average diameter of 450 nm. This enhanced electrospinnability was found to be mainly due to the highly increased conductivity of the plasma-modified PCL solutions. Consequently, more stretching of the polymer jet occurred during electrospinning, leading to the generation of bead-free fibers. Plasma treatment also results in an increased viscosity and decreased pH values. To explain these observed changes, optical emission spectroscopy (OES) has been used to examine the excited species present in the APPJ in contact with the PCL solution. This study revealed that the peaks attributed to H, CH, CH 2 , and C 2 species could be responsible for the degradation of solvent molecules and/or PCL structures during the plasma treatment. Size exclusion chromatography and X-ray photoelectron spectroscopy results showed that the molecular weight and the chemical composition of PCL were not significantly affected by the APPJ treatment. Plasma exposure mainly results in the degradation of the solvent molecules instead of modifying the PCL macromolecules, preserving the original polymer as much as possible. A hypothesis for the observed macroscopic changes in viscosity and pH values could be the generation of new chemical species such as HCl and/or HNO 3 . These species are characterized by their high conductivity, low pH values, and strong polarity and could enhance the solvent quality for PCL, leading to the expansion of the polymer coil, which could in turn explain the observed enhanced viscosity after plasma modification.

Chemical Continuous Time Random Walks

NASA Astrophysics Data System (ADS)

Aquino, T.; Dentz, M.

2017-12-01

Traditional methods for modeling solute transport through heterogeneous media employ Eulerian schemes to solve for solute concentration. More recently, Lagrangian methods have removed the need for spatial discretization through the use of Monte Carlo implementations of Langevin equations for solute particle motions. While there have been recent advances in modeling chemically reactive transport with recourse to Lagrangian methods, these remain less developed than their Eulerian counterparts, and many open problems such as efficient convergence and reconstruction of the concentration field remain. We explore a different avenue and consider the question: In heterogeneous chemically reactive systems, is it possible to describe the evolution of macroscopic reactant concentrations without explicitly resolving the spatial transport? Traditional Kinetic Monte Carlo methods, such as the Gillespie algorithm, model chemical reactions as random walks in particle number space, without the introduction of spatial coordinates. The inter-reaction times are exponentially distributed under the assumption that the system is well mixed. In real systems, transport limitations lead to incomplete mixing and decreased reaction efficiency. We introduce an arbitrary inter-reaction time distribution, which may account for the impact of incomplete mixing. This process defines an inhomogeneous continuous time random walk in particle number space, from which we derive a generalized chemical Master equation and formulate a generalized Gillespie algorithm. We then determine the modified chemical rate laws for different inter-reaction time distributions. We trace Michaelis-Menten-type kinetics back to finite-mean delay times, and predict time-nonlocal macroscopic reaction kinetics as a consequence of broadly distributed delays. Non-Markovian kinetics exhibit weak ergodicity breaking and show key features of reactions under local non-equilibrium.

Modified g-C3N4/TiO2 nanosheets/ZnO ternary facet coupled heterojunction for photocatalytic degradation of p-toluenesulfonic acid (p-TSA) under visible light

NASA Astrophysics Data System (ADS)

Jiang, Dong; Yu, Han; Yu, Hongbing

2017-01-01

Novel ternary nanocomposites with facet coupled structure were synthesized by using modified g-C3N4, TiO2 nanosheets and nano-ZnO. Nanosheet/nanosheet heterojunction structure was investigated by TEM, XPS and XRD. FT-IR and Nitrogen adsorption were illustrated for chemical/physical structure analyses. Solution of p-Toluenesulfonic acid (p-TSA) was chosen as target pollutant for visible light photodegradation and the excellent removal efficiency was achieved by this structurally modified g-C3N4/TiO2/ZnO hybrid. The visible light absorption improvement and quantum efficiency enhancement, which were testified by UV-vis DRS, PL and p-TSA photodegradation measurements, due to the facet coupled structure and appropriate quantity of modified g-C3N4 in the nanocomposites.

Adsorption of Cu2+ to biomass ash and its modified product.

PubMed

Xu, Lei; Cui, Hongbiao; Zheng, Xuebo; Liang, Jiani; Xing, Xiangyu; Yao, Lunguang; Chen, Zhaojin; Zhou, Jing

2017-04-01

Ash produced by biomass power plants has great potential for the removal of heavy metal ions from aqueous solution. The pollution of toxic heavy metals to water is a worldwide environmental problem. Discharges containing copper, in particular, are strictly controlled because the excessive copper can cause serious harm to the environment and human health. This work aims to investigate the adsorption characteristics of copper ions in aqueous solution by biomass ash and the modified products, and to evaluate their potential application in water pollution control. The biomass ash was modified with a mesoporous siliceous material and functionalized with 3-aminopropyltriethoxysilane. The surface properties of the biomass ash and the new matrix were studied to evaluate their adsorption property for Cu 2+ ions at different pHs, initial metal concentrations and the thermodynamic and kinetic were studied. The chemical and morphological properties of this modified material are analyzed; the specific surface area of the modified biomass ash was nine times that of the initial ash. Both of the two materials showed a strong affinity for Cu 2+ , and the Langmuir model could best represent the adsorption characteristics of Cu 2+ on the two kinds of materials. The adsorption capacity of copper on the material increased with the increase of pH and pH 6 was the optimum pH. Thermodynamic analysis results showed that the adsorption of Cu 2+ was spontaneous and endothermic in nature. The adsorptions of Cu 2+ onto the modified biomass ash followed pseudo-second-order kinetics.

Efficient degradation of rhodamine B using modified graphite felt gas diffusion electrode by electro-Fenton process.

PubMed

Tian, Jiangnan; Olajuyin, Ayobami Matthew; Mu, Tingzhen; Yang, Maohua; Xing, Jianmin

2016-06-01

The electro-Fenton (EF) process treatment of 0.1-M (rhodamine B) RhB solution was studied with different graphite cathode materials, and graphite felt (GF) was selected as a promising material in further investigation. Then, the degradation performances of gas diffusion electrode (GDE) and graphite felt (GF) were compared, and GDE was confirmed to be more efficient in RhB removal. The operational parameters such as Fe(2+) dosage and current density were optimized, and comparison among different modified methods-polytetrafluoroethylene-carbon black (PTFE-CB), polytetrafluoroethylene-carbon nanotube (PTFE-CNT), electrodeposition-CB, and electrodeposition-CNT-showed 98.49 % RhB removal by PTFE-CB-modified cathode in 0.05 M Na2SO4 at a current density of 50 A/m(2) and an air flow rate of 1 L/min after 20 min. Meanwhile, after cathode modified by PTFE-CB, the mineralization efficiency and mineralization current efficiency performed absolutely better than the pristine one. Cyclic voltammograms, SEM images, contact angles, and BET surface area were carried out to demonstrate stronger current responses and higher hydrophilicity of GF after modified. The value of biochemical oxygen demand/chemical oxygen demand (BOD5/COD) increased from 0.049 to 0.331 after 90-min treatment, suggesting the solution was biodegradable, and the modified cathode was confirmed to be stable after ten circle runs. Finally, a proposed degradation pathway of RhB was put forward.

Accessibility of selenomethionine proteins by total chemical synthesis: structural studies of human herpesvirus-8 MIP-II.

PubMed

Shao, W; Fernandez, E; Wilken, J; Thompson, D A; Siani, M A; West, J; Lolis, E; Schweitzer, B I

1998-12-11

The determination of high resolution three-dimensional structures by X-ray crystallography or nuclear magnetic resonance (NMR) is a time-consuming process. Here we describe an approach to circumvent the cloning and expression of a recombinant protein as well as screening for heavy atom derivatives. The selenomethionine-modified chemokine macrophage inflammatory protein-II (MIP-II) from human herpesvirus-8 has been produced by total chemical synthesis, crystallized, and characterized by NMR. The protein has a secondary structure typical of other chemokines and forms a monomer in solution. These results indicate that total chemical synthesis can be used to accelerate the determination of three-dimensional structures of new proteins identified in genome programs.

Hipergeometric solutions to some nonhomogeneous equations of fractional order

NASA Astrophysics Data System (ADS)

Olivares, Jorge; Martin, Pablo; Maass, Fernando

2017-12-01

In this paper a study is performed to the solution of the linear non homogeneous fractional order alpha differential equation equal to I 0(x), where I 0(x) is the modified Bessel function of order zero, the initial condition is f(0)=0 and 0 < alpha < 1. Caputo definition for the fractional derivatives is considered. Fractional derivatives have become important in physical and chemical phenomena as visco-elasticity and visco-plasticity, anomalous diffusion and electric circuits. In particular in this work the values of alpha=1/2, 1/4 and 3/4. are explicitly considered . In these cases Laplace transform is applied, and later the inverse Laplace transform leads to the solutions of the differential equation, which become hypergeometric functions.

Solution-Processed Organic and Halide Perovskite Transistors on Hydrophobic Surfaces.

PubMed

Ward, Jeremy W; Smith, Hannah L; Zeidell, Andrew; Diemer, Peter J; Baker, Stephen R; Lee, Hyunsu; Payne, Marcia M; Anthony, John E; Guthold, Martin; Jurchescu, Oana D

2017-05-31

Solution-processable electronic devices are highly desirable due to their low cost and compatibility with flexible substrates. However, they are often challenging to fabricate due to the hydrophobic nature of the surfaces of the constituent layers. Here, we use a protein solution to modify the surface properties and to improve the wettability of the fluoropolymer dielectric Cytop. The engineered hydrophilic surface is successfully incorporated in bottom-gate solution-deposited organic field-effect transistors (OFETs) and hybrid organic-inorganic trihalide perovskite field-effect transistors (HTP-FETs) fabricated on flexible substrates. Our analysis of the density of trapping states at the semiconductor-dielectric interface suggests that the increase in the trap density as a result of the chemical treatment is minimal. As a result, the devices exhibit good charge carrier mobilities, near-zero threshold voltages, and low electrical hysteresis.

Innovative Additive for Bitumen Based on Processed Fats

NASA Astrophysics Data System (ADS)

Babiak, Michał; Kosno, Jacek; Ratajczak, Maria; Zieliński, Krzysztof

2017-10-01

Various additives, admixtures and modifiers are used to improve technical properties and strength characteristics of building materials. Manufacturers of waterproofing materials, concrete, ceramics and bitumen have to use innovative, increasingly complex and costly additives, admixtures or modifiers. As a result, simple and inexpensive substances have been replaced by complex, long chain polymers, multi component resins or plastics. For economic and ecological reasons waste materials are more frequently used as additives, admixtures and modifiers. Nowadays the most commonly used physical modifiers of bitumen belong to the group of polymers - large molecular organic compounds of natural origin or being the result of planned chemical synthesis. Polymers are substances that do not chemically react with bitumen, they act as fillers or create a spatial network within bitumen (the so called physical cross-linking). The development of organic chemistry has allowed the synthesis of a number of substances chemically modifying bitumen. The most promising are heterocyclic organic compounds belonging to the group of imidazolines. The aim of the study presented in this paper was to demonstrate the suitability of processed natural and post-refining fat waste (diamidoamine dehydrate) as bitumen modifier. This paper discusses the impact of adding technical imidazoline on selected bitumen characteristics. Samples of bitumen 160/220, which is most commonly used for the production of waterproofing products, were analysed. For base bitumen and bitumen modified with technical imidazoline the following measurements were taken: measurement of the softening point by Ball and Ring method, determination of the breaking point by Fraass method and needle penetration measurement at 25°C. Later the samples were aged using TFOT laboratory method and the basic characteristics were determined again. The results showed that a small amount of imidazoline improved bitumen thermoplastic parameters at low temperatures and had a significant impact on weakening bitumen oxidation and ageing. The addition of technical imidazoline prevents bitumen from hardening, thus increasing its flexibility and its resistance to mechanical damage. Due to many difficulties in the production of polymer bitumens and in order to find cheaper, more environment friendly solutions, the authors proposed an ecological bituminous modifier which, due to chemical reaction with binders, creates a stable and firm in time product. Imidazolines have a negative impact on bitumen softening point, which makes them impossible to use as an independent modifier. Therefore, at a later stage of the research, the authors will attempt to create a hybrid bitumen modifier which will combine the beneficial effect of polymers and imidazoline on the characteristics of bituminous binders.

Tethering of hyperbranched polyols using PEI as a building block to synthesize antifouling PVDF membranes

NASA Astrophysics Data System (ADS)

Wang, Xushan; Wang, Zihong; Wang, Zhe; Cao, Yu; Meng, Jianqiang

2017-10-01

Antifouling PVDF membranes were prepared by grafting hyperbranched polyols on the membrane surface via a three-step modification method. The membrane was first prepared by alkaline treatment to introduce alkenyl groups, then chemically immobilizing hyperbranched poly(ethyleneimine) (HPEI) on membrane surface through Michael reaction followed by ring opening reaction of the glycidol with amine groups. Chemical compositions, surface morphology and physicochemical properties of the original and modified membranes were characterized via attenuated total refection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), water contact angle (WCA) and zeta potential measurements. The antifouling property of the modified membrane was assessed by the static bovine serum albumin (BSA) and lysozyme (LZM) adsorption as well as cross-flow filtration of BSA aqueous solution. The results explicate that surface modification using hyperbranched polymers can alter membrane chemistry and morphology significantly. In contrast to the original PVDF membrane, the modified membrane shows superhydrophilic property and relatively high capability to resist nonspecific protein adsorption. Three HPEIs were used for modification and the obtained PVDFA-g-PG60,000 membrane has a static BSA protein adsorption of 45 μg/cm2 and shows the highest protein resistance. However, the PVDF-g-PG membrane is positively charged due to the unreacted amine groups. As a result, the PVDF-g-PG membranes also show high flux decline during the filtration of BSA aqueous solution due to the electrostatic interaction. In spite of that, the PVDF-g-PG membranes still maintain high flux recovery ratio and good washing properties.

The Electrochemical Behavior of Carbon Fiber Microelectrodes Modified with Carbon Nanotubes Using a Two-Step Electroless Plating/Chemical Vapor Deposition Process

PubMed Central

Lu, Longsheng; Liang, Linsheng; Teh, Kwok Siong; Xie, Yingxi; Wan, Zhenping; Tang, Yong

2017-01-01

Carbon fiber microelectrode (CFME) has been extensively applied in the biosensor and chemical sensor domains. In order to improve the electrochemical activity and sensitivity of the CFME, a new CFME modified with carbon nanotubes (CNTs), denoted as CNTs/CFME, was fabricated and investigated. First, carbon fiber (CF) monofilaments grafted with CNTs (simplified as CNTs/CFs) were fabricated in two key steps: (i) nickel electroless plating, followed by (ii) chemical vapor deposition (CVD). Second, a single CNTs/CF monofilament was selected and encapsulated into a CNTs/CFME with a simple packaging method. The morphologies of as-prepared CNTs/CFs were characterized by scanning electron microscopy. The electrochemical properties of CNTs/CFMEs were measured in potassium ferrocyanide solution (K4Fe(CN)6), by using a cyclic voltammetry (CV) and a chronoamperometry method. Compared with a bare CFME, a CNTs/CFME showed better CV curves with a higher distinguishable redox peak and response current; the higher the CNT content was, the better the CV curves were. Because the as-grown CNTs significantly enhanced the effective electrode area of CNTs/CFME, the contact area between the electrode and reactant was enlarged, further increasing the electrocatalytic active site density. Furthermore, the modified microelectrode displayed almost the same electrochemical behavior after 104 days, exhibiting remarkable stability and outstanding reproducibility. PMID:28358344

Chemical Peeling with a Modified Phenol Formula for the Treatment of Facial Freckles on Asian Skin.

PubMed

Sun, Hua-Feng; Lu, Hai-Shan; Sun, Le-Qi; Ping, Wei-Dong; Mao, Dong-Sheng; Li, Dan

2018-04-01

Chemical peeling is an efficient method for the treatment of pigment disorders. For freckles, medium-depth to deep peeling using a phenol solution is one of the most effective chemical peels, and modifications of facial skin can be observed up to 20 years after peeling. However, applying phenol to the skin may cause serious side effects. Phenol peeling has been rarely used in Asia due to its tendency to cause permanent pigmentary changes and hypertrophic scars. In total, 896 Chinese inpatients with facial freckles were enrolled in this study. The phenol formula was modified with crystalline phenol, dyclonine, camphor, anhydrous alcohol and glycerin and adjusted to a concentration of 73.6-90.0%. The entire peeling treatment was divided into two procedures performed separately on 2 days. All patients exhibited 26% or greater improvement, and 99.66% of patients exhibited 51% or greater improvement (good and excellent). Scarring and systemic complications were not observed in any patient. The modified phenol formula is very effective and safe for the treatment of facial freckles in Asian patients. This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266 .

Effect of the pH in the adsorption and in the immersion enthalpy of monohydroxylated phenols from aqueous solutions on activated carbons.

PubMed

Blanco-Martínez, D A; Giraldo, L; Moreno-Piraján, J C

2009-09-30

An activated carbon Carbochem--PS230 was modified by chemical and thermal treatment in flow of H(2) in order to evaluate the influence of the activated carbon chemical surface in the adsorption of the monohydroxylated phenols. The solid-solution interaction was determined by analyzing the adsorption isotherms at 298 K at pH 7, 9 and 11 during 48 h. The adsorption capacity of activated carbons increases when the pH solution decreases. The amount adsorbed increases in the reduced carbon at the maximum adsorption pH and decreases in the oxidized carbon. In the sample of granulated activated carbon, CAG, the monohydroxylated phenols adsorption capacity diminishes in the following order catechol >hydroquinone >resorcinol, at the three pH values. The experimental data are evaluated with Freundlich's and Langmuir's models. The immersion enthalpies are determined and increase with the retained amount, ranging between 21.5 and 45.7 J g(-1). In addition, the immersion enthalpies show more interaction with the reduced activated carbon that has lower total acidity contents.

X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

DOE PAGES

Nelson, A. J.; Voss, L. F.; Beck, P. R.; ...

2013-01-12

We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl 2, Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J.-S.; Kim, H.; Cirignano, L.; Shah, K.

2013-04-01

Device-grade TlBr was subjected to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl2, Br:MeOH, and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p, and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

Immobilization of CdS nanoparticles formed in reverse micelles onto aluminosilicate supports and their photocatalytic properties.

PubMed

Hirai, Takayuki; Bando, Yoko

2005-08-15

CdS nanoparticles, prepared in reverse micellar system, were immobilized onto thiol-modified aluminosilicate particles (ASSH) by a simple operation: addition of ASSH in the micellar solution and mild stirring. The resulting CdS nanoparticles-aluminosilicate composites (ASCdS) were used as photocatalysts for H2 generation from 2-propanol aqueous solution. The chemical properties of the aluminosilicate, such as affinity for water and other reactants, were found to affect the photocatalytic property of the CdS nanoparticles immobilized. Zeolite particles, having affinity for water and 2-propanol, gave a good ASCdS photocatalyst with respect to H2 generation.

Electrochemical detection of DNA damage induced by acrylamide and its metabolite at the graphene-ionic liquid-Nafion modified pyrolytic graphite electrode.

PubMed

Qiu, Yanyan; Qu, Xiangjin; Dong, Jing; Ai, Shiyun; Han, Ruixia

2011-06-15

A new electrochemical biosensor for directly detecting DNA damage induced by acrylamide (AA) and its metabolite was presented in this work. The graphene-ionic liquid-Nafion modified pyrolytic graphite electrode (PGE) was prepared, and then horseradish peroxidase (HRP) and natural double-stranded DNA were alternately assembled on the modified electrode by the layer-by-layer method. The PGE/graphene-ionic liquid-Nafion and the construction of the (HRP/DNA)(n) film were characterized by electrochemical impedance spectroscopy. With the guanine signal in DNA as an indicator, the damage of DNA was detected by differential pulse voltammetry after PGE/graphene-ionic liquid-Nafion/(HRP/DNA)(n) was incubated in AA solution or AA+H(2)O(2) solution at 37°C. This method provides a new model to mimic and directly detect DNA damage induced by chemical pollutants and their metabolites in vitro. The results indicated that, in the presence of H(2)O(2), HRP was activated and catalyzed the transformation of AA to glycidamide, which could form DNA adducts and induce more serious damage of DNA than AA. In order to further verify these results, UV-vis spectrophotometry was also used to investigate DNA damage induced by AA and its metabolites in solution and the similar results were obtained. Copyright © 2011 Elsevier B.V. All rights reserved.

Recent progress on mid-IR sensing with optical fibers

NASA Astrophysics Data System (ADS)

Kellner, Robert A.; Gobel, R.; Goetz, R.; Lendl, B.; Edl-Mizaikoff, B.; Tacke, Maurus; Katzir, Abraham

1995-09-01

Chemical sensors are analytical systems for the evaluation of compound- or ion-specific or - selective signals produced by specific or selective chemical reactions taking place at the interface between the chemically modified sensor surface and the substrate. The well known electrochemical sensing schemes have greatly contributed that sensors are considered now as the 'third supporting pillar of analytical chemistry' besides chromatography and spectroscopy. The aim of this paper is to describe the novel capabilities of chemical modified IR-transparent fibers as chemical IR-sensors for the on-line analysis of chlorinated hydrocarbons and organic compounds in aqueous solutions and gaseous mixtures, glucose, and sucrose in aqueous solution as developed in our laboratory. Moreover, the relative merits of this new method wil be depicted in comparison to other sensing techniques. Optical fiber sensors are novel analysis systems, based on molecular spectroscopy in the UV/VIS/IR-range. They benefit from the tremendous development in the field of optical fibers, an offspring of the telecommunication industry and the electronic revolution during the last few years. With the development of new materials besides the well known quartz fibers for the UV/VIS/NIR-range the optical window for fiber optic sensors was enlarged from 0,2 to 20 micrometers recently. The fiber length was increased recently to up to 2 meters for silver halides and approximately 10 meters for chalcogenides. New applications for environmental, food, and clinical sensing as well as process analysis are the driving force for modern research in IR-optical fiber sensors using mainly sapphire (Al2O3), chalcogenide (As-Se-Te) and silver halide (AgBr/AgCl) fibers and flow injection analysis (FIA) systems. Few representative examples for each of the various optical sensor types will be presented. Particular attention will be given to the use of silver halide fibers for the simultaneous determination of traces of chlorinated hydrocarbons in water and to FIA-systems for the process analysis of beverages.

Electrochemical investigation of the voltammetric determination of hydrochlorothiazide using a nickel hydroxide modified nickel electrode.

PubMed

Machini, Wesley B S; David-Parra, Diego N; Teixeira, Marcos F S

2015-12-01

The preparation and electrochemical characterization of a nickel hydroxide modified nickel electrode as well as its behavior as electrocatalyst toward the oxidation of hydrochlorothiazide (HCTZ) were investigated. The electrochemical behavior of the modified electrode and the electrooxidation of HCTZ were explored using cyclic voltammetry. The voltammetric response of the modified electrode in the detection of HCTZ is based on the electrochemical oxidation of the Ni(II)/Ni(III) and a chemical redox process. The analytical parameters for the electrooxidation of HCTZ by the nickel hydroxide modified nickel electrode were obtained in NaOH solution, in which the linear voltammetric response was in the concentration range from 1.39×10(-5) to 1.67×10(-4)mol L(-1) with a limit of detection of 7.92×10(-6)mol L(-1) and a sensitivity of 0.138 μA Lmmol(-1). Tafel analysis was used to elucidate the kinetics and mechanism of HCTZ oxidation by the modified electrode. Copyright © 2015 Elsevier B.V. All rights reserved.

Aminopyridine modified Spirulina platensis biomass for chromium(VI) adsorption in aqueous solution.

PubMed

Bayramoglu, Gulay; Akbulut, Aydin; Arica, M Yakup

Chemical modification of Spirulina platensis biomass was realized by sequential treatment of algal surface with epichlorohydrin and aminopyridine. Adsorptive properties of Cr(VI) ions on native and aminopyridine modified algal biomass were investigated by varying pH, contact time, ionic strength, initial Cr(VI) concentration, and temperature. FTIR and analytical analysis indicated that carboxyl and amino groups were the major functional groups for Cr(VI) ions adsorption. The optimum adsorption was observed at pH 3.0 for native and modified algal biomasses. The adsorption capacity was found to be 79.6 and 158.7 mg g(-1), for native and modified algal biomasses, respectively. For continuous system studies, the experiments were conducted to study the effect of important design parameters such as flow rate and initial concentration of metal ions, and the maximum sorption capacity was observed at a flow rate of 50 mL h(-1), and Cr(VI) ions concentration 200 mg L(-1) with modified biomass. Experimental data fitted a pseudo-second-order equation. The regeneration performance was observed to be 89.6% and 94.3% for native and modified algal biomass, respectively.

Environmental Factors Affecting the Strength Characteristics of Modified Resin Mortars

NASA Astrophysics Data System (ADS)

Debska, Bernardeta; Licholai, Lech

2017-12-01

Resin concretes are composites in which a cement binder has been completely replaced by a synthetic resin. These materials are a good choice for the construction industry, especially in solutions requiring high strength, fast curing and durability. Polymer mortars are mainly used for the manufacture of industrial floors and prefabricated products such as tanks for aggressive chemicals, sewage pipes, or road and bridge drainage systems, as well as for the repair of damaged concrete structures. In all these applications, the strength and high chemical resistance of the applied material solutions are of key importance. It is particularly crucial to obtain information on how resin composites behave when exposed to aggressive agents over extended periods of time. It is also very important to use waste materials in order to obtain resin composites, as these activities are very well inscribed in the idea of environmental protection and meet the criteria of sustainable construction. The mortars described in this article meet the above principles. The article presents how the compressive strength of glycolyzate-modified epoxy mortars, obtained with the use of poly(ethylene terephthalate), changes after they are immersed in 10% sodium chloride solution. Sodium chloride solution was chosen due to the prospective applicability of the tested composites as repair materials used for e.g. bridges or overpasses that are exposed to this salt solution in wintertime. Changes in the properties of the composite samples were monitored over the period of one year. Statistical analysis of the test results was carried out with the use of Statistica programme. The module available in the mentioned program called Nonparametric Statistics - Comparing multiple independent samples made it possible to check the monitoring times during which the compressive strength values differed significantly. The obtained results allowed for determining the equation of the function approximating the course of changes in mortar properties. The designated parameters of regression equations can be used to project the properties of composites.

Organic inorganic hybrid coating (poly(methyl methacrylate)/monodisperse silica)

NASA Astrophysics Data System (ADS)

Rubio, E.; Almaral, J.; Ramírez-Bon, R.; Castaño, V.; Rodríguez, V.

2005-04-01

Polymethylmethacrylate-silica hybrid coatings were prepared from methyl methacrylate and monodisperse colloidal silica prepared by the Stöber method. The surfaces of the spheres were successfully modified by chemical reaction with 3-(trimethoxysilyl) propyl methacrylate (TMSPM) to compatibilise the organic and inorganic components of the precursor solution mixture. The coatings were deposited by dip-coating on glass substrates. They result with good properties of homogeneity, optical transparence, hardness and adhesion.

Antifouling Thin-Film Composite Membranes by Controlled Architecture of Zwitterionic Polymer Brush Layer.

PubMed

Liu, Caihong; Lee, Jongho; Ma, Jun; Elimelech, Menachem

2017-02-21

In this study, we demonstrate a highly antifouling thin-film composite (TFC) membrane by grafting a zwitterionic polymer brush via atom-transfer radical-polymerization (ATRP), a controlled, environmentally benign chemical process. Initiator molecules for polymerization were immobilized on the membrane surface by bioinspired catechol chemistry, leading to the grafting of a dense zwitterionic polymer brush layer. Surface characterization revealed that the modified membrane exhibits reduced surface roughness, enhanced hydrophilicity, and lower surface charge. Chemical force microscopy demonstrated that the modified membrane displayed foulant-membrane interaction forces that were 1 order of magnitude smaller than those of the pristine TFC membrane. The excellent fouling resistance imparted by the zwitterionic brush layer was further demonstrated by significantly reduced adsorption of proteins and bacteria. In addition, forward osmosis fouling experiments with a feed solution containing a mixture of organic foulants (bovine-serum albumin, alginate, and natural organic matter) indicated that the modified membrane exhibited significantly lower water flux decline compared to the pristine TFC membrane. The controlled architecture of the zwitterionic polymer brush via ATRP has the potential for a facile antifouling modification of a wide range of water treatment membranes without compromising intrinsic transport properties.

Investigation on the Performance of Chemically Modified Aquatic Macrophytes-Salvinia molesta for the Micro-Solid Phase Preconcentration of Cd(II) On-Line Coupled to FAAS.

PubMed

Cajamarca, Fabio Antonio Suquila; Corazza, Marcela Zanetti; Prete, Maiyara Caroline; Dragunski, Douglas Cardoso; Rocker, Cristiana; Caetano, Josiane; Gonçalves Júnior, Affonso Celso; Tarley, César Ricardo Teixeira

2016-12-01

In this study, a new method for the preconcentration of cadmium ions using modified aquatic macrophytes - Salvinia molesta as biosorbent in an on-line preconcentration system coupled to flame atomic absorption spectrometry (FAAS) was developed. The method is based on preconcentration of 20.0 mL sample at pH 3.75 through 35.0 mg of biosorbent at 10.0 mL min -1 and subsequent elution with 0.5 mol L -1 HNO 3 . A preconcentration factor of 31-fold, linear dynamic range from 5.0 to 70.0 µg L -1 (r = 0.9996) and detection and quantification limits of 0.15 and 0.51 µg L -1 were obtained. The characterization of the biosorbent chemically modified with NaOH and citric acid, was performed through FTIR and SEM measurements. The method precision was found to be 3.97 % and 1.48 % for 5.0 and 60.0 µg L -1 Cd(II) solutions, respectively. The applicability of method was checked by analysis of different kind of water samples and certified reference material.

A comparative study for adsorption of lysozyme from aqueous samples onto Fe3O4 magnetic nanoparticles using different ionic liquids as modifier.

PubMed

Kamran, Sedigheh; Absalan, Ghodratollah; Asadi, Mozaffar

2015-12-01

In this paper, nanoparticles of Fe3O4 as well as their modified forms with different ionic liquids (IL-Fe3O4) were prepared and used for adsorption of lysozyme. The mean size and the surface morphology of the nanoparticles were characterized by TEM, XRD and FTIR techniques. Adsorption studies of lysozyme were performed under different experimental conditions in batch system on different modified magnetic nanoparticles such as, lysozyme concentration, pH of the solution, and contact time. Experimental results were obtained under the optimum operational conditions of pH 9.0 and a contact time of 10 min when initial protein concentrations of 0.05-2.0 mg mL(-1) were used. The isotherm evaluations revealed that the Langmuir model attained better fits to the equilibrium data than the Freundlich model. The maximum obtained adsorption capacities were 370.4, 400.0 500.0 and 526.3 mg of lysozyme for adsorption onto Fe3O4 and modified magnetic nanoparticles by [C4MIM][Br], [C6MIM][Br] and [C8MIM][Br] per gram of adsorbent, respectively. The Langmuir adsorption constants were 0.004, 0.019, 0.024 and 0.012 L mg(-1) for adsorptions of lysozyme onto Fe3O4 and modified magnetic nanoparticles by [C4MIM][Br], [C6MIM][Br] and [C8MIM][Br], respectively. The adsorption capacity of lysozyme was found to be dependent on its chemical structure, pH of the solution, temperature and type of ionic liquid as modifier. The applicability of two kinetic models including pseudo-first order and pseudo-second order model was estimated. Furthermore, the thermodynamic parameters were calculated. Protein could desorb from IL-Fe3O4 nanoparticles by using NaCl solution at pH 9.5 and was reused.

Magnetic MoS2 on multiwalled carbon nanotubes for sulfide sensing.

PubMed

Li, Chunxiang; Zhang, Dan; Wang, Jiankang; Hu, Pingan; Jiang, Zhaohua

2017-07-04

A novel hybrid metallic cobalt insided in multiwalled carbon nanotubles/molybdenum disulfide (Co@CNT/MoS 2 ) modified glass carbon electrode (GCE) was fabricated with a adhesive of Nafion suspension and used as chemical sensors for sulfide detection. Single-layered MoS 2 was coated on CNTs through magnetic traction force between paramagnetic monolayer MoS 2 and Co particles in CNTs. Co particles faciliated the collection of paramagnetic monolayer MoS 2 exfoliated from bulk MoS 2 in solution. Amperometric analysis, cycle voltammetry, cathodic stripping analysis and linear sweep voltammetry results showed the Co@CNT/MoS 2 modified GCE exhibited excellent electrochemical activity to sulfide in buffer solutions, but amperometric analysis was found to be more sensitive than the other methods. The amperometric response result indicated the Co@CNT/MoS 2 -modified GCE electrode was an excellent electrochemical sensor for detecting S 2- with a detection limit of 7.6 nM and sensitivity of 0.23 mA/μM. The proposed electrode was used for the determination of sulfide levels in hydrogen sulfide-pretreated fruits, and the method was also verified with recovery studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Deposition of gold nano-particles and nano-layers on polyethylene modified by plasma discharge and chemical treatment

NASA Astrophysics Data System (ADS)

Švorčík, V.; Chaloupka, A.; Záruba, K.; Král, V.; Bláhová, O.; Macková, A.; Hnatowicz, V.

2009-08-01

Polyethylene (PE) was treated in Ar plasma discharge and then grafted from methanol solution of 1,2-ethanedithiol to enhance adhesion of gold nano-particles or sputtered gold layers. The modified PE samples were either immersed into freshly prepared colloid solution of Au nano-particles or covered by sputtered, 50 nm thick gold nano-layer. Properties of the plasma modified, dithiol grafted and gold coated PE were studied using XPS, UV-VIS, AFM, EPR, RBS methods and nanoindentation. It was shown that the plasma treatment results in degradation of polymer chain, creation of excessive free radicals and conjugated double bonds. After grafting with 1,2-ethanedithiol the concentration of free radicals declined but the concentration of double bonds remained unchanged. Plasma treatment changes PE surface morphology and increases surface roughness too. Another significant change in the surface morphology and roughness was observed after deposition of Au nano-particles. The presence of Au on the sample surface after the coating with Au nano-particles was proved by XPS and RBS methods. Nanoindentation measurements shown that the grafting of plasma activated PE surface with dithiol increases significantly adhesion of sputtered Au nano-layer.

[Specific immunotherapy with depigmented allergoids].

PubMed

Klimek, L; Thorn, C; Pfaar, O

2010-01-01

Specific immunotherapy is the only available causative treatment for IgE-mediated allergic conditions. The state of the art is treatment via the subcutaneous route with crude extracts in a water solution, with physically linked (semidepot) extracts or chemically modified semidepot extracts (allergoids). A relatively new purification method combines depigmentation followed by polymerization with glutaraldehyde. This modification results in increased tolerance with a reduction in both local and systemic adverse effects. As controlled clinical trials have shown, the effectiveness is comparable to that of specific immunotherapy with crude allergen extracts. Recent data suggest that the modified polymerized allergoids allow a safe rush titration in a few days or even in 1 day (ultra-rush titration).

Surface characteristics, corrosion and bioactivity of chemically treated biomedical grade NiTi alloy.

PubMed

Chembath, Manju; Balaraju, J N; Sujata, M

2015-11-01

The surface of NiTi alloy was chemically modified using acidified ferric chloride solution and the characteristics of the alloy surface were studied from the view point of application as a bioimplant. Chemically treated NiTi was also subjected to post treatments by annealing at 400°C and passivation in nitric acid. The surface of NiTi alloy after chemical treatment developed a nanogrid structure with a combination of one dimensional channel and two dimensional network-like patterns. From SEM studies, it was found that the undulations formed after chemical treatment remained unaffected after annealing, while after passivation process the undulated surface was filled with oxides of titanium. XPS analysis revealed that the surface of passivated sample was enriched with oxides of titanium, predominantly TiO2. The influence of post treatment on the corrosion resistance of chemically treated NiTi alloy was monitored using Potentiodynamic Polarization and Electrochemical Impedance Spectroscopy (EIS) in Phosphate Buffered Saline (PBS) solution. In the chemically treated condition, NiTi alloy exhibited poor corrosion resistance due to the instability of the surface. On the other hand, the breakdown potential (0.8V) obtained was highest for the passivated samples compared to other surface treated samples. During anodic polarization, chemically treated samples displayed dissolution phenomenon which was predominantly activation controlled. But after annealing and passivation processes, the behavior of anodic polarization was typical of a diffusion controlled process which confirmed the enhanced passivity of the post treated surfaces. The total resistance, including the porous and barrier layer, was in the range of mega ohms for passivated surfaces, which could be attributed to the decrease in surface nickel content and formation of compact titanium oxide. The passivated sample displayed good bioactivity in terms of hydroxyapatite growth, noticed after 14days immersion in Hanks' solution. Copyright © 2015 Elsevier B.V. All rights reserved.

An efficient phosphorus scavenging from aqueous solution using magnesiothermally modified bio-calcite.

PubMed

Ahmad, Munir; Ahmad, Mahtab; Usman, Adel R A; Al-Faraj, Abdullah S; Ok, Yong Sik; Hussain, Qaiser; Abduljabbar, Adel S; Al-Wabel, Mohammad I

2018-07-01

Bio-calcite (BC) derived from waste hen eggshell was subjected to thermal treatments (calcined bio-calcite (CBC)). The BC and CBC were further modified via magnesiothermal treatments to produce modified bio-calcite (MBC) and modified calcined bio-calcite (MCBC), respectively, and evaluated as a novel green sorbent for P removal from aqueous solutions in the batch experiments. Modified BC exhibited improved structural and chemical properties, such as porosity, surface area, thermal stability, mineralogy and functional groups, than pristine material. Langmuir and Freundlich models well described the P sorption onto both thermally and magnesiothermally sorbents, respectively, suggesting mono- and multi-layer sorption. Langmuir predicted highest P sorption capacities were in the order of: MCBC (43.33 mg g -1 ) > MBC (35.63 mg g- 1 ) > CBC (34.38 mg g -1 ) > BC (30.68 mg g -1 ). The MBC and MCBC removed 100% P up to 50 mg P L -1 , which reduced to 35.43 and 39.96%, respectively, when P concentration was increased up to 1000 mg L -1 . Dynamics of P sorption was well explained by the pseudo-second-order rate equation, with the highest sorption rate of 4.32 mg g -1  min -1 for the MCBC. Hydroxylapatite [Ca 10 (PO 4 ) 6 (OH) 2 ] and brushite [CaH(PO 4 )·2H 2 O] were detected after P sorption onto the modified sorbents by X-ray diffraction analysis, suggesting chemisorption as the operating sorption mechanism.

In-situ Raman and X-ray photoelectron spectroscopic studies on the pitting corrosion of modified 9Cr-1Mo steel in neutral chloride solution

NASA Astrophysics Data System (ADS)

Ramya, S.; Nanda Gopala Krishna, D.; Mudali, U. Kamachi

2018-01-01

In-situ Raman and X-ray photoelectron spectroscopic studies were performed for the identification of native and corroded surface oxide layers of modified 9Cr-1Mo steel. The Raman data obtained for native oxide layer of modified 9Cr-1Mo steel revealed that it was mainly composed of oxides of Fe and Cr. The presence of alloying element Mo was found to be less significant in the native oxide film. The oxides of Cr were dominant at the surface and were found to be decreasing closer to metal/oxide layer interface. The changes in the chemical composition of the native films upon in-situ pitting during potentiostatic polarization experiment were characterized by in-situ Raman analysis. The corrosion products of potentiostatically polarized modified 9Cr-1Mo steel was composed of dominant Fe (III) phases viz., γ- Fe2O3, α and γ - FeOOH along with the oxides of chromium. The results from Raman analysis were corroborated with the XPS experiments on as received and pitted samples of modified 9Cr-1Mo steel specimens. It was observed that the oxides of Cr and Mo contributed for the stability of the surface layer by forming Cr2O3 and MoO3. Also, the study attempted to find out the intermediate corrosion products inside the metastable pits to account for the pseudo passive behavior of modified 9Cr-1Mo steel in 0.1 M NaCl solution.

General Characteristics of the Changes in the Thermal Stability of Proteins and Enzymes After the Chemical Modification of Their Functional Groups

NASA Astrophysics Data System (ADS)

Kutuzova, G. D.; Ugarova, N. N.; Berezin, Ilya V.

1984-11-01

The principal structural and physicochemical factors determining the stability of protein macromolecules in solution and the characteristics of the structure of the proteins from thermophilic microorganisms are examined. The mechanism of the changes in the thermal stability of proteins and enzymes after the chemical modification of their functional side groups and the experimental data concerning the influence of chemical modification on the thermal stability of proteins are analysed. The dependence of the stabilisation effect and of the changes in the structure of protein macromolecules on the degree of modification and on the nature of the modified groups and the groups introduced into proteins in the course of modification (their charge and hydrophobic properties) is demonstrated. The great practical value of the method of chemical modification for the preparation of stabilised forms of biocatalysts is shown in relation to specific examples. The bibliography includes 178 references.

Friction and Wear Modifiers Using Solvent Partitioning of Hydrophilic Surface-interactive Chemicals Contained in Boundary Layer-targeted Emulsions

NASA Technical Reports Server (NTRS)

Richmond, Robert Chafee (Inventor); Schramm, Jr., Harry F. (Inventor); Defalco, Francis G. (Inventor)

2013-01-01

A wear and/or friction reducing additive for a lubricating fluid in which the additive is a combination of a moderately hydrophilic single-phase compound and an anti-wear and/or anti-friction aqueous salt solution. The aqueous salt solution produces a coating on boundary layer surfaces. The lubricating fluid can be an emulsion-free hydrophobic oil, hydraulic fluid, antifreeze, or water. Preferably, the moderately hydrophilic single-phase compound is sulfonated castor oil and the aqueous salt solution additionally contains boric acid and zinc oxide. The emulsions produced by the aqueous salt solutions, the moderately hydrophilic single-phase compounds, or the combination thereof provide targeted boundary layer organizers that significantly enhance the anti-wear and/or anti-friction properties of the base lubricant by decreasing wear and/or friction of sliding and/or rolling surfaces at boundary layers.

Friction and Wear Modifiers Using Solvent Partitioning of Hydrophilic Surface-Interactive Chemicals Contained in Boundary Layer-Targeted Emulsions

NASA Technical Reports Server (NTRS)

Defalco, Francis G. (Inventor); Richmond, Robert Chaffee (Inventor); Schramm, Jr., Harry F. (Inventor)

2017-01-01

A wear and/or friction reducing additive for a lubricating fluid in which the additive is a combination of a moderately hydrophilic single-phase compound and an anti-wear and/or anti-friction aqueous salt solution. The aqueous salt solution produces a coating on boundary layer surfaces. The lubricating fluid can be an emulsion-free hydrophobic oil, hydraulic fluid, antifreeze, water, or a water-based lubricant. Preferably, the moderately hydrophilic single-phase compound is sulfonated castor oil and the aqueous salt solution additionally contains boric acid and zinc oxide. The emulsions produced by the aqueous salt solutions, the moderately hydrophilic single-phase compounds, or the combination thereof provide targeted boundary layer organizers that significantly enhance the anti-wear and/or anti-friction properties of the base lubricant by decreasing wear and/or friction of sliding and/or rolling surfaces at boundary layers.

Friction and Wear Modifiers Using Solvent Partitioning of Hydrophilic Surface-Interactive Chemicals Contained in Boundary Layer-Targeted Emulsions

NASA Technical Reports Server (NTRS)

Defalco, Francis G. (Inventor); Richmond, Robert Chaffee (Inventor); Schramm, Harry F., Jr. (Inventor)

2016-01-01

A wear and/or friction reducing additive for a lubricating fluid in which the additive is a combination of a moderately hydrophilic single-phase compound and an anti-wear and/or anti-friction aqueous salt solution. The aqueous salt solution produces a coating on boundary layer surfaces. The lubricating fluid can be an emulsion-free hydrophobic oil, hydraulic fluid, antifreeze, or water. Preferably, the moderately hydrophilic single-phase compound is sulfonated castor oil and the aqueous salt solution additionally contains boric acid and zinc oxide. The emulsions produced by the aqueous salt solutions, the moderately hydrophilic single-phase compounds, or the combination thereof provide targeted boundary layer organizers that significantly enhance the anti-wear and/or anti-friction properties of the base lubricant by decreasing wear and/or friction of sliding and/or rolling surfaces at boundary layers.

Removal of chromium (VI) ions from aqueous solutions using amine-impregnated TiO2 nanoparticles modified cellulose acetate membranes.

PubMed

Gebru, Kibrom Alebel; Das, Chandan

2018-01-01

In this work, TiO 2 nanoparticles (NPs) were modified using tetraethylenepentamine (TEPA), ethylenediamine (EDA), and hexamethylenetetramine (HMTA) amines using impregnation process. The prepared amine modified TiO 2 samples were explored as an additive to fabricate ultrafiltration membranes with enhanced capacity towards the removal of chromium ions from aqueous solution. Modified membranes were prepared from cellulose acetate (CA) polymer blended with polyethylene glycol (PEG) additive, and amine modified TiO 2 by using phase inversion technique. Fourier transform infrared spectroscopy (FTIR), zeta potential (ζ), thermo gravimetric analysis (TGA), field emission scanning electron microscopy (FESEM), water contact angle (WCA), and atomic absorption spectrophotometer (AAS) studies were done to characterize the membranes in terms of chemical structure, electric charge, thermal stability, morphology, hydrophilicity, and removal performance. The pure water permeability and Cr (VI) ion removal efficiency of the unmodified (i.e. CA/U-Ti) and the amine modified (CA/Ti-HMTA, CA/Ti-EDA, and CA/Ti-TEPA) membranes were dependent on pH and metal ion concentration. Incorporation of amine modified TiO 2 composite to the CA polymer was found to improve the fouling and removal characteristics of the membranes during the chromium ultrafiltration process. The maximum removal efficiency result of Cr (VI) ions at pH of 3.5 using CA/Ti-TEPA membrane was 99.8%. The washing/regeneration cycle results in this study described as an essential part for prospect industrial applications of the prepared membranes. The maximum Cr (VI) removal results by using CA/Ti-TEPA membrane for four washing/regeneration cycles are 99.6%, 99.5%, 98.6% and, 96.6%, respectively. Copyright © 2017 Elsevier Ltd. All rights reserved.

Bioconjugate functionalization of thermally carbonized porous silicon using a radical coupling reaction†

PubMed Central

Sciacca, Beniamino; Alvarez, Sara D.; Geobaldo, Francesco; Sailor, Michael J.

2011-01-01

The high stability of Salonen’s thermally carbonized porous silicon (TCPSi) has attracted attention for environmental and biochemical sensing applications, where corrosion-induced zero point drift of porous silicon-based sensor elements has historically been a significant problem. Prepared by the high temperature reaction of porous silicon with acetylene gas, the stability of this silicon carbide-like material also poses a challenge—many sensor applications require a functionalized surface, and the low reactivity of TCPSi has limited the ability to chemically modify its surface. This work presents a simple reaction to modify the surface of TCPSi with an alkyl carboxylate. The method involves radical coupling of a dicarboxylic acid (sebacic acid) to the TCPSi surface using a benzoyl peroxide initiator. The grafted carboxylic acid species provides a route for bioconjugate chemical modification, demonstrated in this work by coupling propylamine to the surface carboxylic acid group through the intermediacy of pentafluorophenol and 1-ethyl-3-[3-dimethylaminopropyl]carbodiimide hydrochloride (EDC). The stability of the carbonized porous Si surface, both before and after chemical modification, is tested in phosphate buffered saline solution and found to be superior to either hydrosilylated (with undecylenic acid) or thermally oxidized porous Si surfaces. PMID:20967329

Determination of specific capacitance of modified candlenut shell based carbon as electrode material for supercapacitor

NASA Astrophysics Data System (ADS)

Zakir, M.; Budi, P.; Raya, I.; Karim, A.; Wulandari, R.; Sobrido, A. B. J.

2018-03-01

Surface modification of candlenut shell carbon (CSC) using three chemicals: nitric acid (HNO3), hydrogen peroxide (H2O2), and sulfuric acid (H2SO4) has been carried out. Activation of CSC was performed using H3PO4 solution with different ratio between CSC and activator. Carbon surface area was determined by methylene blue adsorption method. Surface characterization was performed using FTIR spectroscopy and Boehm titration method. Specific capacitance of electrode prepared from CSAC (candlenuts shell activated carbon) materials was quantified by Cyclic Voltammetry (CV) measurement. The surface area before and after activation are 105,127 m2/g, 112,488 m2/g, 124,190 m2/g, and 135,167 m2/g, respectively. Surface modification of CSAC showed the improvement in the chemical functionality of CSAC surface. Analyses using FTIR spectroscopy and Boehm titration showed that modifications with HNO3, H2SO4 and H2O2 on the surface of the CSAC increased the number of oxygen functional groups. As a consequence, the specific capacitance of CSAC modified with 65% HNO3 attained the highest value (127 μF/g). There is an incredible increase by a factor of 298% from electrode which was constructed with un-modified CSAC material. This increase correlates to the largest number of oxygen functional groups of CSAC modified with nitric acid (HNO3).

Sorption behavior of Eu(III) from an aqueous solution onto modified hydroxyapatite: kinetics, modeling and thermodynamics.

PubMed

Gad, H M H; Youssef, M A

2017-08-16

Nano-pore hydroxyapatite (HAP) was prepared using physical activation of raw and chemically modified [using Acid; HNO 3 (HAPA) or Base; NaOH (HAPB)] bone char (BC) by heating at 900°C for 1 hr to obtain HAP9, HAPA9 and HAPB9, respectively. Investigation the effects of thermal and chemical treatment of prepared nano-hydroxyapatite on elemental analysis, FTIR, scanning electron microscopy, surface area and consequently, the sorption behavior of Eu (III) ions onto the prepared nano-pore hydroxyapatite. Batch adsorption technique was used and the obtained results revealed that the optimum pH = 5.0. The % removal of europium (III) using HAPA9 and HAPB9 reach to 100% within 15 min, while HAP9 after 180 min and the pseudo-second-order was found to be fit to the experimental data. According to Langmuir model, the maximum sorption capacities (q m ) were 123.8, 384.9 and 74.2 mg g -1 for HAP9, HAPA9 and HAPB9, respectively. The reaction is spontaneous according to ΔG° value. HCl (0.5 M) was the most efficient desorbing agent for recovery of Eu(III) and regeneration of adsorbents. Finally, nano-pore hydroxyapatite (HAP) was low cost and very effective adsorbent for sorption or recovery of Eu(III) from aqueous solutions and remediation of environmental pollution.

Preparation of activated carbon from a renewable bio-plant of Euphorbia rigida by H 2SO 4 activation and its adsorption behavior in aqueous solutions

NASA Astrophysics Data System (ADS)

Gerçel, Özgül; Özcan, Adnan; Özcan, A. Safa; Gerçel, H. Ferdi

2007-03-01

The use of activated carbon obtained from Euphorbia rigida for the removal of a basic textile dye, which is methylene blue, from aqueous solutions at various contact times, pHs and temperatures was investigated. The plant material was chemically modified with H 2SO 4. The surface area of chemically modified activated carbon was 741.2 m 2 g -1. The surface characterization of both plant- and activated carbon was undertaken using FTIR spectroscopic technique. The adsorption process attains equilibrium within 60 min. The experimental data indicated that the adsorption isotherms are well described by the Langmuir equilibrium isotherm equation and the calculated adsorption capacity of activated carbon was 114.45 mg g -1 at 40° C. The adsorption kinetics of methylene blue obeys the pseudo-second-order kinetic model and also followed by the intraparticle diffusion model up to 60 min. The thermodynamic parameters such as Δ G°, Δ H° and Δ S° were calculated to estimate the nature of adsorption. The activation energy of the system was calculated as 55.51 kJ mol -1. According to these results, prepared activated carbon could be used as a low-cost adsorbent to compare with the commercial activated carbon for the removal textile dyes from textile wastewater processes.

Piezoelectric sensor for sensitive determination of metal ions based on the phosphate-modified dendrimer

NASA Astrophysics Data System (ADS)

Wang, S. H.; Shen, C. Y.; Lin, Y. M.; Du, J. C.

2016-08-01

Heavy metal ions arising from human activities are retained strongly in water; therefore public water supplies must be monitored regularly to ensure the timely detection of potential problems. A phosphate-modified dendrimer film was investigated on a quartz crystal microbalance (QCM) for sensing metal ions in water at room temperature in this study. The chemical structures and sensing properties were characterized by Fourier transform infrared spectroscopy and QCM measurement, respectively. This phosphate-modified dendrimer sensor can directly detect metal ions in aqueous solutions. This novel sensor was evaluated for its capacity to sense various metal ions. The sensor exhibited a higher sensitivity level and shorter response time to copper(II) ions than other sensors. The linear detection range of the prepared QCM based on the phosphate-modified dendrimer was 0.0001 ∼ 1 μM Cu(II) ions (R2 = 0.98). The detection properties, including sensitivity, response time, selectivity, reusability, maximum adsorption capacity, and adsorption equilibrium constants, were also investigated.

Chemical Treatment of Waste Abaca for Natural Fiber-Reinforced Geopolymer Composite

PubMed Central

Malenab, Roy Alvin J.; Ngo, Janne Pauline S.; Promentilla, Michael Angelo B.

2017-01-01

The use of natural fibers in reinforced composites to produce eco-friendly materials is gaining more attention due to their attractive features such as low cost, low density and good mechanical properties, among others. This work thus investigates the potential of waste abaca (Manila hemp) fiber as reinforcing agent in an inorganic aluminosilicate material known as geopolymer. In this study, the waste fibers were subjected to different chemical treatments to modify the surface characteristics and to improve the adhesion with the fly ash-based geopolymer matrix. Definitive screening design of experiment was used to investigate the effect of successive chemical treatment of the fiber on its tensile strength considering the following factors: (1) NaOH pretreatment; (2) soaking time in aluminum salt solution; and (3) final pH of the slurry. The results show that the abaca fiber without alkali pretreatment, soaked for 12 h in Al2(SO4)3 solution and adjusted to pH 6 exhibited the highest tensile strength among the treated fibers. Test results confirmed that the chemical treatment removes the lignin, pectin and hemicellulose, as well as makes the surface rougher with the deposition of aluminum compounds. This improves the interfacial bonding between geopolymer matrix and the abaca fiber, while the geopolymer protects the treated fiber from thermal degradation. PMID:28772936

Multidimensional High-Resolution Magic Angle Spinning and Solution-State NMR Characterization of 13C-labeled Plant Metabolites and Lignocellulose

PubMed Central

Mori, Tetsuya; Tsuboi, Yuuri; Ishida, Nobuhiro; Nishikubo, Nobuyuki; Demura, Taku; Kikuchi, Jun

2015-01-01

Lignocellulose, which includes mainly cellulose, hemicellulose, and lignin, is a potential resource for the production of chemicals and for other applications. For effective production of materials derived from biomass, it is important to characterize the metabolites and polymeric components of the biomass. Nuclear magnetic resonance (NMR) spectroscopy has been used to identify biomass components; however, the NMR spectra of metabolites and lignocellulose components are ambiguously assigned in many cases due to overlapping chemical shift peaks. Using our 13C-labeling technique in higher plants such as poplar samples, we demonstrated that overlapping peaks could be resolved by three-dimensional NMR experiments to more accurately assign chemical shifts compared with two-dimensional NMR measurements. Metabolites of the 13C-poplar were measured by high-resolution magic angle spinning NMR spectroscopy, which allows sample analysis without solvent extraction, while lignocellulose components of the 13C-poplar dissolved in dimethylsulfoxide/pyridine solvent were analyzed by solution-state NMR techniques. Using these methods, we were able to unambiguously assign chemical shifts of small and macromolecular components in 13C-poplar samples. Furthermore, using samples of less than 5 mg, we could differentiate between two kinds of genes that were overexpressed in poplar samples, which produced clearly modified plant cell wall components. PMID:26143886

Convergence to equilibrium of renormalised solutions to nonlinear chemical reaction–diffusion systems

NASA Astrophysics Data System (ADS)

Fellner, Klemens; Tang, Bao Quoc

2018-06-01

The convergence to equilibrium for renormalised solutions to nonlinear reaction-diffusion systems is studied. The considered reaction-diffusion systems arise from chemical reaction networks with mass action kinetics and satisfy the complex balanced condition. By applying the so-called entropy method, we show that if the system does not have boundary equilibria, i.e. equilibrium states lying on the boundary of R_+^N, then any renormalised solution converges exponentially to the complex balanced equilibrium with a rate, which can be computed explicitly up to a finite-dimensional inequality. This inequality is proven via a contradiction argument and thus not explicitly. An explicit method of proof, however, is provided for a specific application modelling a reversible enzyme reaction by exploiting the specific structure of the conservation laws. Our approach is also useful to study the trend to equilibrium for systems possessing boundary equilibria. More precisely, to show the convergence to equilibrium for systems with boundary equilibria, we establish a sufficient condition in terms of a modified finite-dimensional inequality along trajectories of the system. By assuming this condition, which roughly means that the system produces too much entropy to stay close to a boundary equilibrium for infinite time, the entropy method shows exponential convergence to equilibrium for renormalised solutions to complex balanced systems with boundary equilibria.

40 CFR 721.6498 - Modified polyisocyanates (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6498 Modified polyisocyanates (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as modified polyisocyanates (PMN P...

40 CFR 721.6498 - Modified polyisocyanates (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6498 Modified polyisocyanates (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as modified polyisocyanates (PMN P...

40 CFR 721.6498 - Modified polyisocyanates (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6498 Modified polyisocyanates (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as modified polyisocyanates (PMN P...

Coexistence of wave propagation and oscillation in the photosensitive Belousov-Zhabotinsky reaction on a circular route.

PubMed

Nakata, Satoshi; Morishima, Sayaka; Ichino, Takatoshi; Kitahata, Hiroyuki

2006-12-21

The photosensitive Belousov-Zhabotinsky (BZ) reaction was investigated on a circular ring, which was drawn using computer software and then projected on a film soaked with BZ solution using a liquid-crystal projector. Under the initial conditions, a chemical wave propagated with a constant velocity on the black ring under a bright background. When the background was rapidly changed to dark, coexistence of the oscillation on part of the ring and propagation of the chemical wave on the other part was observed. These experimental results are discussed in relation to the nature of the photosensitive BZ reaction and theoretically reproduced based on a reaction-diffusion system using the modified Oregonator model.

Photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

NASA Astrophysics Data System (ADS)

Nelson, A. J.; Lee, J.-S.; Stanford, J. A.; Grant, W. K.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Swanberg, E. L.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Kim, H.; Cirignano, L. J.; Shah, K.

2013-09-01

Device-grade TlBr was subjected to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. Samples of as polished TlBr were treated separately with 2%Br:MeOH, 10%HF, 10%HCl and 96%SOCl2 solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry. Results suggest anion substitution at the surface with subsequent shallow heterojunction formation. Surface chemistry and valence band electronic structure were further correlated with the goal of optimizing the long-term stability and radiation response.

Surface modification of a polyimide gate insulator with an yttrium oxide interlayer for aqueous-solution-processed ZnO thin-film transistors.

PubMed

Jang, Kwang-Suk; Wee, Duyoung; Kim, Yun Ho; Kim, Jinsoo; Ahn, Taek; Ka, Jae-Won; Yi, Mi Hye

2013-06-11

We report a simple approach to modify the surface of a polyimide gate insulator with an yttrium oxide interlayer for aqueous-solution-processed ZnO thin-film transistors. It is expected that the yttrium oxide interlayer will provide a surface that is more chemically compatible with the ZnO semiconductor than is bare polyimde. The field-effect mobility and the on/off current ratio of the ZnO TFT with the YOx/polyimide gate insulator were 0.456 cm(2)/V·s and 2.12 × 10(6), respectively, whereas the ZnO TFT with the polyimide gate insulator was inactive.

Modification of a method-of-characteristics solute-transport model to incorporate decay and equilibrium-controlled sorption or ion exchange

USGS Publications Warehouse

Goode, D.J.; Konikow, Leonard F.

1989-01-01

The U.S. Geological Survey computer model of two-dimensional solute transport and dispersion in ground water (Konikow and Bredehoeft, 1978) has been modified to incorporate the following types of chemical reactions: (1) first-order irreversible rate-reaction, such as radioactive decay; (2) reversible equilibrium-controlled sorption with linear, Freundlich, or Langmuir isotherms; and (3) reversible equilibrium-controlled ion exchange for monovalent or divalent ions. Numerical procedures are developed to incorporate these processes in the general solution scheme that uses method-of- characteristics with particle tracking for advection and finite-difference methods for dispersion. The first type of reaction is accounted for by an exponential decay term applied directly to the particle concentration. The second and third types of reactions are incorporated through a retardation factor, which is a function of concentration for nonlinear cases. The model is evaluated and verified by comparison with analytical solutions for linear sorption and decay, and by comparison with other numerical solutions for nonlinear sorption and ion exchange.

A biomechanical triphasic approach to the transport of nondilute solutions in articular cartilage.

PubMed

Abazari, Alireza; Elliott, Janet A W; Law, Garson K; McGann, Locksley E; Jomha, Nadr M

2009-12-16

Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach.

A Biomechanical Triphasic Approach to the Transport of Nondilute Solutions in Articular Cartilage

PubMed Central

Abazari, Alireza; Elliott, Janet A.W.; Law, Garson K.; McGann, Locksley E.; Jomha, Nadr M.

2009-01-01

Abstract Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach. PMID:20006942

Infrared absorption spectroscopy characterization of liquid-solid interfaces: The case of chiral modification of catalysts

NASA Astrophysics Data System (ADS)

Zaera, Francisco

2018-03-01

An overview is provided here of our work on the characterization of chiral modifiers for the bestowing of enantioselectivity to metal-based hydrogenation catalysts, with specific reference to the so-called Orito reaction. We start with a brief discussion of the use of infrared absorption spectroscopy (IR) for the characterization of chemical species at liquid-solid interfaces, describing the options available as well as the information that can be extracted from such experiments and the advantages and disadvantages associated with the technique. We then summarize the main results that we have reported to date from our IR study of the adsorption of cinchona alkaloids and related compounds from solutions onto platinum surfaces. Several observations are highlighted and placed in context in terms of the existing knowledge and their relevance to catalysis. Key conclusions include the uniqueness of the nature of the adsorbed species when in the presence of the solvent (versus when the uptake is done under vacuum, or versus the pure or dissolved molecules), the fact that each modifier adopts unique and distinct adsorption geometries on the surface and that those change with the concentration of the solution in ways that correlate well with the performance of the catalyst, the potential tendency of at least some of these chiral modifiers to bind to the surface primarily via the nitrogen atom of the amine group, not the aromatic ring as it is often assumed, and the observation that the ability of one modifier to dominate the catalytic chemistry in solutions containing mixtures of two or more of those is linked to their capacity for displacing each other from the surface, which in turn is determined by a balance between the strength of their binding to the surface and their solubility in the liquid solvent.

Ce-Fe-modified zeolite-rich tuff to remove Ba(2+)-like (226)Ra(2+) in presence of As(V) and F(-) from aqueous media as pollutants of drinking water.

PubMed

Olguín, María Teresa; Deng, Shuguang

2016-01-25

The sorption behavior of the Ba(2+)-like (226)Ra(2+) in the presence of H2AsO4(-)/HAsO4(2-) and F(-) from aqueous media using Ce-Fe-modified zeolite-rich tuff was investigated in this work. The Na-modified zeolite-rich tuff was also considered for comparison purposes. The zeolite-rich tuff collected from Wyoming (US) was in contact with NaCl and CeCl3-FeCl3 solutions to obtain the Na- and Ce-Fe-modified zeolite-rich tuffs (ZUSNa and ZUSCeFe). These zeolites were characterized by scanning electron microscopy and X-ray diffraction. The BET-specific surface and the points of zero charge were determined as well as the content of Na, Ce and Fe by neutron activation analysis. The textural characteristics and the point of zero charge were changed by the presence of Ce and Fe species in the zeolitic network. A linear model described the Ba(2+)-like (226)Ra(2+) sorption isotherms and the distribution coefficients (Kd) varied with respect to the metallic species present in the zeolitic material. The As(V) oxianionic chemical species and F(-) affected this parameter when the Ba(2+)-like (226)Ra(2+)-As(V)-F(-) solutions were in contact with ZUSCeFe. The H2AsO4(-)/HAsO4(2-) and F(-) were adsorbed by ZUSCeFe in the same amount, independent of the concentration of Ba(2+)-like (226)Ra(2+) in the initial solution. Copyright © 2015 Elsevier B.V. All rights reserved.

A nonfouling voltammetric immunosensor for the carcinoembryonic antigen based on the use of polyaniline nanowires wrapped with hyaluronic acid.

PubMed

Wang, Jiasheng; Hui, Ni

2018-06-16

A non-fouling electrochemical immunosensor is described for determination of the tumor biomarker carcinoembryonic antigen (CEA). It is based on the use of composite wires made by chemical grafting of hyaluronic acid onto polyaniline nanowires. The modified nanowires possess excellent antifouling property both in single protein solutions and in dilute serum samples. The current of immunoelectrode exhibits a linear response in the 0.01 pg mL -1 to 10,000 pg mL -1 CEA concentration range and 0.0075 pg mL -1 detection limit. This work demonstrates that coating an electrode with hyaluronic acid can largely reduce unspecific adsorption of proteins on the electrode surface. Graphical abstract Schematic of a nonfouling electrochemical immunosensor for the carcinoembryonic antigen. It is based on novel composite wires made through the chemical grafting of easily available hyaluronic acid (HA) onto polyaniline (PANI) nanowires. The HA/PANI demonstrated excellent antifouling property both in single protein solutions and human serum samples.

Self-propulsion of a catalytically active particle near a planar wall: from reflection to sliding and hovering.

PubMed

Uspal, W E; Popescu, M N; Dietrich, S; Tasinkevych, M

2015-01-21

Micron-sized particles moving through a solution in response to self-generated chemical gradients serve as model systems for studying active matter. Their far-reaching potential applications will require the particles to sense and respond to their local environment in a robust manner. The self-generated hydrodynamic and chemical fields, which induce particle motion, probe and are modified by that very environment, including confining boundaries. Focusing on a catalytically active Janus particle as a paradigmatic example, we predict that near a hard planar wall such a particle exhibits several scenarios of motion: reflection from the wall, motion at a steady-state orientation and height above the wall, or motionless, steady "hovering." Concerning the steady states, the height and the orientation are determined both by the proportion of catalyst coverage and the interactions of the solutes with the different "faces" of the particle. Accordingly, we propose that a desired behavior can be selected by tuning these parameters via a judicious design of the particle surface chemistry.

Surface contouring by controlled application of processing fluid using Marangoni effect

DOEpatents

Rushford, Michael C.; Britten, Jerald A.

2003-04-29

An apparatus and method for modifying the surface of an object by contacting said surface with a liquid processing solution using the liquid applicator geometry and Marangoni effect (surface tension gradient-driven flow) to define and confine the dimensions of the wetted zone on said object surface. In particular, the method and apparatus involve contouring or figuring the surface of an object using an etchant solution as the wetting fluid and using realtime metrology (e.g. interferometry) to control the placement and dwell time of this wetted zone locally on the surface of said object, thereby removing material from the surface of the object in a controlled manner. One demonstrated manifestation is in the deterministic optical figuring of thin glasses by wet chemical etching using a buffered hydrofluoric acid solution and Marangoni effect.

Apparatus For Etching Or Depositing A Desired Profile Onto A Surface

DOEpatents

Rushford, Michael C.; Britten, Jerald A.

2004-05-25

An apparatus and method for modifying the surface of an object by contacting said surface with a liquid processing solution using the liquid applicator geometry and Marangoni effect (surface tension gradient-driven flow) to define and confine the dimensions of the wetted zone on said object surface. In particular, the method and apparatus involve contouring or figuring the surface of an object using an etchant solution as the wetting fluid and using real-time metrology (e.g. interferometry) to control the placement and dwell time of this wetted zone locally on the surface of said object, thereby removing material from the surface of the object in a controlled manner. One demonstrated manifestation is in the deterministic optical figuring of thin glasses by wet chemical etching using a buffered hydrofluoric acid solution and Marangoni effect.

Chemically modified electrodes by nucleophilic substitution of chlorosilylated platinum oxide surfaces

NASA Astrophysics Data System (ADS)

Chen, Chun-Hsien; Hutchison, James H.; Postlethwaite, Timothy A.; Richardson, John N.; Murray, R. W.

1994-07-01

Chlorosilylated platinum oxide electrode surfaces can be generated by reaction of SiCl4 vapor with an electrochemically prepared monolayer of platinum oxide. A variety of nucleophilic agents (such as alcohols, amines, thiols, and Grignard reagents) can be used to displace chloride and thereby functionalize the metal surface. Electroactive surfaces prepared with ferrocene methanol as the nucleophile show that derivatization by small molecules can achieve coverages on the order of a full monolayer. Surfaces modified with long-chain alkyl groups efficiently block electrode reactions of redox probes dissolved in the contacting solution, but other electrochemical (double layer capacitance and surface coverage) and contact angle measurements suggest that these molecule films are not highly ordered, self-assembled monolayers.

Electrophoretic formation of semiconductor layers with adjustable band gap

NASA Astrophysics Data System (ADS)

Shindrov, Alexander; Yuvchenko, Sergey; Vikulova, Maria; Tretyachenko, Elena; Zimnyakov, Dmitry; Gorokhovsky, Alexander

2017-11-01

The ceramic layers of the potassium polytitanates modified by transition metal salts were electrophoretically deposited onto the surface of glassy substrate coated with indium-tin oxide. The deposition allows obtaining a dense ceramic layer formed by composite agglomerates consisting of nanoscale particles with average size of 130-190 nm. The optical absorption spectra of the coatings modified in the mixtures of aqueous solutions of different transition metal salts were investigated. It was recognized that a bandgap value of these composites can be adjusted in a range from 1.4 to 2.3 eV depending the chemical composition of layered double hydroxide obtained during modification. This might be very promising for optoelectronic applications of such coatings due to an explicit control of optical properties.

Long-term environmental impacts of building composites containing waste materials: Evaluation of the leaching protocols.

PubMed

Drinčić, Ana; Nikolić, Irena; Zuliani, Tea; Milačič, Radmila; Ščančar, Janez

2017-01-01

The NEN 7375 test has been proposed for evaluating the long-term environmental impacts caused by the release of contaminants from monolithic building and waste materials. Over a period of 64days, at specific points in time, the leaching solution (demineralised water) is replenished. By applying the NEN 7375 test, leaching of contaminants that is based mainly on diffusion is followed. In the present work, the results from modified leaching protocols were evaluated against those obtained by NEN 7375 test. In modified protocols, synthetic sea, surface and MilliQ water were used for the leaching of selected elements and chromate, molybdate and vanadate from compact and ground building composites (98% mixture of fly ash (80%) and cement (20%), and 2% of electric arc furnace (EAF) dust) over 6months. The leaching solutions were not replenished, imitating both the diffusion and the dissolution of contaminants. The data revealed larger extent of leaching when the leaching solution was not replenished. More extensive was also leaching from ground composites, which simulated the disintegration of the material over time. The composition of the leaching solution influenced the release of the matrix constituents from the composites and, consequently, the amount of elements and their chemical species. Synthetic sea and surface water used as leaching solutions, without replenishing, were found to be suitable to simulate the conditions when the building material is immersed in stagnant environmental waters. Copyright © 2016 Elsevier Ltd. All rights reserved.

Characterization of High-Velocity Solution Precursor Flame-Sprayed Manganese Cobalt Oxide Spinel Coatings for Metallic SOFC Interconnectors

NASA Astrophysics Data System (ADS)

Puranen, Jouni; Laakso, Jarmo; Kylmälahti, Mikko; Vuoristo, Petri

2013-06-01

A modified high-velocity oxy-fuel spray (HVOF) thermal spray torch equipped with liquid feeding hardware was used to spray manganese-cobalt solutions on ferritic stainless steel grade Crofer 22 APU substrates. The HVOF torch was modified in such a way that the solution could be fed axially into the combustion chamber through 250- and 300-μm-diameter liquid injector nozzles. The solution used in this study was prepared by diluting nitrates of manganese and cobalt, i.e., Mn(NO3)2·4H2O and Co(NO3)2·6H2O, respectively, in deionized water. The as-sprayed coatings were characterized by X-ray diffraction and field-emission scanning electron microscopy operating in secondary electron mode. Chemical analyses were performed on an energy dispersive spectrometer. Coatings with remarkable density could be prepared by the novel high-velocity solution precursor flame spray (HVSPFS) process. Due to finely sized droplet formation in the HVSPFS process and the use of as delivered Crofer 22 APU substrate material having very low substrate roughness ( R a < 0.5 μm), thin and homogeneous coatings, with thicknesses lower than 10 μm could be prepared. The coatings were found to have a crystalline structure equivalent to MnCo2O4 spinel with addition of Co-oxide phases. Crystallographic structure was restored back to single-phase spinel structure by heat treatment.

The Effect of MHD on Free Convection with Periodic Temperature and Concentration in the Presence of Thermal Radiation and Chemical Reaction

NASA Astrophysics Data System (ADS)

Zigta, B.; Koya, P. R.

2017-12-01

This paper studies the effect of magneto hydrodynamics on unsteady free convection between a pair of infinite vertical Couette plates. The temperature of the plates and concentration between the plates vary with time. Convection between the plates is considered in the presence of thermal radiation and chemical reaction. The solution is obtained using perturbation techniques. These techniques are used to transform nonlinear coupled partial differential equations to a system of ordinary differential equations. The resulting equations are solved analytically. The solution is expressed in terms of power series with some small parameter. The effect of various parameters, viz., velocity, temperature and concentration, has been discussed. Mat lab code simulation study is carried out to support the theoretical results. The result shows that as the thermal radiation parameter R increases, the temperature decreases near the moving porous plate while it approaches to a zero in the region close to the boundary layer of the stationary plate. Moreover, as the modified Grashof number, i.e., based on concentration difference, increases, the velocity of the fluid flow increases hence the concentration decreases. An increase in both the chemical reaction parameter and Schmidt number results in decreased concentration.

Influence of dust and mud on the optical, chemical, and mechanical properties of a pv protective glass

NASA Astrophysics Data System (ADS)

Yilbas, Bekir Sami.; Ali, Haider; Khaled, Mazen M.; Al-Aqeeli, Nasser; Abu-Dheir, Numan; Varanasi, Kripa K.

2015-10-01

Recent developments in climate change have increased the frequency of dust storms in the Middle East. Dust storms significantly influence the performances of solar energy harvesting systems, particularly (photovoltaic) PV systems. The characteristics of the dust and the mud formed from this dust are examined using various analytical tools, including optical, scanning electron, and atomic force microscopies, X-ray diffraction, energy spectroscopy, and Fourier transform infrared spectroscopy. The adhesion, cohesion and frictional forces present during the removal of dry mud from the glass surface are determined using a microtribometer. Alkali and alkaline earth metal compounds in the dust dissolve in water to form a chemically active solution at the glass surface. This solution modifies the texture of the glass surface, thereby increasing the microhardness and decreasing the transmittance of the incident optical radiation. The force required to remove the dry mud from the glass surface is high due to the cohesive forces that result from the dried mud solution at the interface between the mud and the glass. The ability altering the characteristics of the glass surface could address the dust/mud-related limitations of protective surfaces and has implications for efficiency enhancements in solar energy systems.

Influence of dust and mud on the optical, chemical, and mechanical properties of a pv protective glass.

PubMed

Yilbas, Bekir Sami; Ali, Haider; Khaled, Mazen M; Al-Aqeeli, Nasser; Abu-Dheir, Numan; Varanasi, Kripa K

2015-10-30

Recent developments in climate change have increased the frequency of dust storms in the Middle East. Dust storms significantly influence the performances of solar energy harvesting systems, particularly (photovoltaic) PV systems. The characteristics of the dust and the mud formed from this dust are examined using various analytical tools, including optical, scanning electron, and atomic force microscopies, X-ray diffraction, energy spectroscopy, and Fourier transform infrared spectroscopy. The adhesion, cohesion and frictional forces present during the removal of dry mud from the glass surface are determined using a microtribometer. Alkali and alkaline earth metal compounds in the dust dissolve in water to form a chemically active solution at the glass surface. This solution modifies the texture of the glass surface, thereby increasing the microhardness and decreasing the transmittance of the incident optical radiation. The force required to remove the dry mud from the glass surface is high due to the cohesive forces that result from the dried mud solution at the interface between the mud and the glass. The ability altering the characteristics of the glass surface could address the dust/mud-related limitations of protective surfaces and has implications for efficiency enhancements in solar energy systems.

The effect of an external electric field on the growth of incongruent-melting material

NASA Astrophysics Data System (ADS)

Uda, Satoshi; Huang, Xinming; Wang, Shou-Qi

2005-02-01

The significance of an electric field on the crystallization process is differentiated into two consequences; (i) thermodynamic effect and (ii) growth-dynamic effect. The former modifies the chemical potential of the associated phases which changes the equilibrium phase relationship while the latter influences the solute transport, growth kinetics, surface creation and defect generation during growth. The intrinsic electric field generating during growth is attributed to the crystallization-related electromotive force and the thermoelectric power driven by the temperature gradient at the interface which influences the solute transport and solute partitioning. The external electric field was applied to the growth apparatus in the ternary system of La2O3- Ga2O3- SiO2 so that the chemical potential of both solid and liquid phases changed leading to the variation of the equilibrium phase relationship. Imposing a 500 V/cm electric field on the system moved the boundary of primary phase field of lanthanum gallate ( LaGaO3) and Ga-bearing lanthanum silicate ( La14GaxSi9-xO) toward the SiO2 apex by 5 mol% which clearly demonstrated the change of the phase relationship by the external electric field.

Textile Dye Removal from Aqueous Solution using Modified Graphite Waste/Lanthanum/Chitosan Composite

NASA Astrophysics Data System (ADS)

Kusrini, E.; Wicaksono, B.; Yulizar, Y.; Prasetyanto, EA; Gunawan, C.

2018-03-01

We investigated various pre-treatment processes of graphite waste using thermal, mechanical and chemical methods. The aim of this work is to study the performance of modified graphite waste/lanthanum/chitosan composite (MG) as adsorbent for textile dye removal from aqueous solution. Effect of graphite waste resources, adsorbent size and lanthanum concentration on the dye removal were studied in batch experiments. Selectivity of MG was also investigated. Pre-heated graphite waste (NMG) was conducted at 80°C for 1 h, followed by mechanical crushing of the resultant graphite to 75 μm particle size, giving adsorption performance of ˜58%, ˜67%, ˜93% and ˜98% of the model dye rhodamine B (concentration determined by UV-vis spectroscopy at 554 nm), methyl orange (464 nm), methylene blue (664 nm) and methyl violet (580 nm), respectively from aqueous solution. For this process, the system required less than ˜5 min for adsorbent material to be completely saturated with the adsorbate. Further chemical modification of the pre-treated graphite waste (MG) with lanthanum (0.01 – V 0.03 M) and chitosan (0.5% w/w) did not improve the performance of dye adsorption. Under comparable experimental conditions, as those of the ‘thermal-mechanical-pre-treated-only’ (NMG), modification of graphite waste (MG) with 0.03 M lanthanum and 0.5% w/w chitosan resulted in ˜14%, ˜47%, ˜72% and ˜85% adsorption of rhodamine B, methyl orange, methylene blue and methyl violet, respectively. Selective adsorption of methylene blue at most to ˜79%, followed by methyl orange, methyl violet and rhodamine B with adsorption efficiency ˜67, ˜38, and ˜9% sequentially using MG with 0.03 M lanthanum and 0.5% w/w chitosan.

Medium-Throughput Screen of Microbially Produced Serotonin via a G-Protein-Coupled Receptor-Based Sensor.

PubMed

Ehrenworth, Amy M; Claiborne, Tauris; Peralta-Yahya, Pamela

2017-10-17

Chemical biosensors, for which chemical detection triggers a fluorescent signal, have the potential to accelerate the screening of noncolorimetric chemicals produced by microbes, enabling the high-throughput engineering of enzymes and metabolic pathways. Here, we engineer a G-protein-coupled receptor (GPCR)-based sensor to detect serotonin produced by a producer microbe in the producer microbe's supernatant. Detecting a chemical in the producer microbe's supernatant is nontrivial because of the number of other metabolites and proteins present that could interfere with sensor performance. We validate the two-cell screening system for medium-throughput applications, opening the door to the rapid engineering of microbes for the increased production of serotonin. We focus on serotonin detection as serotonin levels limit the microbial production of hydroxystrictosidine, a modified alkaloid that could accelerate the semisynthesis of camptothecin-derived anticancer pharmaceuticals. This work shows the ease of generating GPCR-based chemical sensors and their ability to detect specific chemicals in complex aqueous solutions, such as microbial spent medium. In addition, this work sets the stage for the rapid engineering of serotonin-producing microbes.

Evolution of Associative Learning in Chemical Networks

PubMed Central

McGregor, Simon; Vasas, Vera; Husbands, Phil; Fernando, Chrisantha

2012-01-01

Organisms that can learn about their environment and modify their behaviour appropriately during their lifetime are more likely to survive and reproduce than organisms that do not. While associative learning – the ability to detect correlated features of the environment – has been studied extensively in nervous systems, where the underlying mechanisms are reasonably well understood, mechanisms within single cells that could allow associative learning have received little attention. Here, using in silico evolution of chemical networks, we show that there exists a diversity of remarkably simple and plausible chemical solutions to the associative learning problem, the simplest of which uses only one core chemical reaction. We then asked to what extent a linear combination of chemical concentrations in the network could approximate the ideal Bayesian posterior of an environment given the stimulus history so far? This Bayesian analysis revealed the ‘memory traces’ of the chemical network. The implication of this paper is that there is little reason to believe that a lack of suitable phenotypic variation would prevent associative learning from evolving in cell signalling, metabolic, gene regulatory, or a mixture of these networks in cells. PMID:23133353

A modified Lowry protein test for dilute protein solutions

Treesearch

Garold F. Gregory; Keith F. Jensen

1971-01-01

A modified Lowry protein test for dilute protein solutions modified Lowry protein test was compared with the standard Lowry protein test. The modified test was found to give estimates of protein concentration that were as good as the standard test and has the advange that proteins can be measured in very dilute solutions.

Sorption of agrochemical model compounds by sorbent materials containing beta-cyclodextrin.

PubMed

Wilson, Lee D; Mohamed, Mohamed H; Guo, Rui; Pratt, Dawn Y; Kwon, Jae Hyuck; Mahmud, Sarker T

2010-04-01

Polymeric sorbent materials that incorporate beta-cyclodextrin (CD) have been prepared and their sorption behavior toward two model agrochemical contaminant compounds, p-nitrophenol (PNP) and methyl chloride examined. The sorption of PNP was studied in aqueous solution using ultraviolet-visible (UV-Vis) spectroscopy, whereas the sorption of methyl chloride from the gas phase was studied using a Langmuir adsorption method. The sorption results for PNP in solution were compared between granular activated carbon (GAC), modified GAC, CD copolymers, and CD-based mesoporous silica hybrid materials. Nitrogen porosimetry at 77 K was used to estimate the surface area and pore structure properties of the sorbent materials. The sorbents displayed variable surface areas as follows: copolymers (36.2-157 m(2)/g), CD-silica materials (307-906 m(2)/g), surface modified GAC (657 m(2)/g), and granular activated carbon (approximately 10(3) m(2)/g). The sorption capacities for PNP and methyl chloride with the different sorbents are listed in descending order as follows: GAC > copolymers > surface modified GAC > CD-silica hybrid materials. In general, the differences in the sorption properties of the sorbents were related to the following: (i) surface area of the sorbent, (ii) CD content and accessibility, (iii) and the chemical nature of the sorbent material.

A new integrable equation combining the modified KdV equation with the negative-order modified KdV equation: multiple soliton solutions and a variety of solitonic solutions

NASA Astrophysics Data System (ADS)

Wazwaz, Abdul-Majid

2018-07-01

A new third-order integrable equation is constructed via combining the recursion operator of the modified KdV equation (MKdV) and its inverse recursion operator. The developed equation will be termed the modified KdV-negative order modified KdV equation (MKdV-nMKdV). The complete integrability of this equation is confirmed by showing that it nicely possesses the Painlevé property. We obtain multiple soliton solutions for the newly developed integrable equation. Moreover, this equation enjoys a variety of solutions which include solitons, peakons, cuspons, negaton, positon, complexiton and other solutions.

Characterization and evaluation of a modified local lymph node assay using ATP content as a non-radio isotopic endpoint.

PubMed

Idehara, Kenji; Yamagishi, Gaku; Yamashita, Kunihiko; Ito, Michio

2008-01-01

The murine local lymph node assay (LLNA) is an accepted and widely used method for assessing the skin-sensitizing potential of chemicals. Here, we describe a non-radio isotopic modified LLNA in which adenosine triphosphate (ATP) content is used as an endpoint instead of radioisotope (RI); the method is termed LLNA modified by Daicel based on ATP content (LLNA-DA). Groups of female CBA/JNCrlj mice were treated topically on the dorsum of both ears with test chemicals or a vehicle control on days 1, 2, and 3; an additional fourth application was conducted on day 7. Pretreatment with 1% sodium lauryl sulfate solution was performed 1 h before each application. On day 8, the amount of ATP in the draining auricular lymph nodes was measured as an alternative endpoint by the luciferin-luciferase assay in terms of bioluminescence (relative light units, RLU). A stimulation index (SI) relative to the concurrent vehicle control was derived based on the RLU value, and an SI of 3 was set as the cut-off value. Using the LLNA-DA method, 31 chemicals were tested and the results were compared with those of other test methods. The accuracy of LLNA-DA vs LLNA, guinea pig tests, and human tests was 93% (28/30), 80% (20/25), and 79% (15/19), respectively. The estimated concentration (EC) 3 value was calculated and compared with that of the original LLNA. It was found that the EC3 values obtained by LLNA-DA were almost equal to those obtained by the original LLNA. The SI value based on ATP content is similar to that of the original LLNA as a result of the modifications in the chemical treatment procedure, which contribute to improving the SI value. It is concluded that LLNA-DA is a promising non-RI alternative method for evaluating the skin-sensitizing potential of chemicals.

Graphene-bimetallic nanoparticle composites with enhanced electro-catalytic detection of bisphenol A

NASA Astrophysics Data System (ADS)

Pogacean, Florina; Biris, Alexandru R.; Socaci, Crina; Coros, Maria; Magerusan, Lidia; Rosu, Marcela-Corina; Lazar, Mihaela D.; Borodi, Gheorghe; Pruneanu, Stela

2016-12-01

This study brings for the first time novel knowledge about the synthesis by catalytic chemical vapor deposition with induction heating of graphene-bimetallic nanoparticle composites (Gr-AuCu and Gr-AgCu) and their morphological and structural characterization by transmission electron microscopy, Raman spectroscopy, and x-ray powder diffraction. Gold electrodes modified with the obtained materials exhibit an enhanced electro-catalytic effect towards one of the most encountered estrogenic disruptive chemicals, bisphenol A (BPA). The BPA behavior in varying pH solutions was investigated using the electrochemical quartz crystal microbalance, which allowed the accurate determination of the number of molecules involved in the oxidation process. The modified electrodes promote the oxidation of BPA at significantly lower potentials (0.66 V) compared to bare gold (0.78 V). In addition, the peak current density recorded with such electrodes greatly exceeded that obtained with bare gold (e.g. one order of magnitude larger, for a Au/Gr-AgCu electrode). The two modified electrodes have low detection limits, of 1.31 × 10-6 M and 1.91 × 10-6 M for Au/Gr-AgCu and Au/Gr-AuCu, respectively. The bare gold electrode has a higher detection limit of 5.1 × 10-6 M. The effect of interfering species (e.g. catechol and 3-nitrophenol) was also investigated. Their presence influenced not only the BPA peak potential, but also the peak current. With both modified electrodes, no peak currents were recorded below 3 × 10-5 M BPA.

Grafting of activated carbon cloths for selective adsorption

NASA Astrophysics Data System (ADS)

Gineys, M.; Benoit, R.; Cohaut, N.; Béguin, F.; Delpeux-Ouldriane, S.

2016-05-01

Chemical functionalization of an activated carbon cloth with 3-aminophthalic acid and 4-aminobenzoic acid groups by the in situ formation of the corresponding diazonium salt in aqueous acidic solution is reported. The nature and amount of selected functions on an activated carbon surface, in particular the grafted density, were determined by potentiometric titration, elemental analysis and X-ray photoelectron spectroscopy (XPS). The nanotextural properties of the modified carbon were explored by gas adsorption. Functionalized activated carbon cloth was obtained at a discrete grafting level while preserving interesting textural properties and a large porous volume. Finally, the grafting homogeneity of the carbon surface and the nature of the chemical bonding were investigated using Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) technique.

Synthetic Design of Polysulfone Membranes: Morphological Effect on Property and Performance in Flow Batteries

NASA Astrophysics Data System (ADS)

Gindt, Brandon

This dissertation outlines a novel path towards improved understanding and function of proton exchange membranes (PEMs) for redox flow batteries, a large-scale battery storage device. This research uses synthetic methods and nanotechnology through two different approaches to prepare tailored polymer membranes: 1) Ion exchange membranes with enhanced chemical structures to promote membrane morphology on the nano-scale were prepared. Specifically, functional polysulfones (PSUs) were synthesized from different pre-sulfonated monomers. These PSUs have controlled placement and content of unique sulfonic acid moieties. PEMs were fabricated and characterized. The new PEMs showed desirable physical properties and performance in a vanadium redox flow battery (VRFB) cell. 2) Nanoporous PSU membranes were fabricated via post-hydrolysis of polylactide (PLA) from PLA-PSU-PLA triblock copolymer membranes. The controlled morphology and pore size of the resulting nanoporous membranes were evaluated by different microscopy and scattering techniques to understand structure-property relationships. Further, the resulting nanopore surface was chemically modified with sulfonic acid moieties. Membranes were analyzed and evaluated as separators for a VRFB. The chemically modified nanoporous PEMs exhibited unique behavior with respect to their ion conductivity when exposed to solutions of increasing acid concentration. In addition, the hierarchical micro-nanoporous membranes developed further showed promising structure and properties.

Composition-Property Correlation in B2O3-SiO2 Preform Rods Produced Using Modified Chemical Vapor Deposition Technique

NASA Astrophysics Data System (ADS)

Islam, Mohammad; Saleem, Muhammad Rizwan

2012-02-01

Due to unique optical properties of high birefringent (Hi-Bi) fibers for sensing and coherent optical communications, there is a strong interest in process optimization at preform fabrication and fiber drawing stages. Boron-doped silica cladding acts as stress-applying part resulting in polarization properties of Hi-Bi fibers that are strongly dependent on chemical composition. Using modified chemical vapor deposition (MCVD) technique, B2O3-doped silica preform rods were synthesized under different precursor gas flow conditions. Qualitative information about B2O3-SiO2 system composition was derived from etching behavior in nonbuffered HF solution and subsequent microstructural examination using scanning electron microscope. Significant degree of B2O3 incorporation was seen in case of high BCl3:SiCl4 ratio and mild oxygen-deficient processing conditions. Increasing the B2O3 content to ~26 mol% led to a corresponding increase in coefficient of thermal expansion (CTE) to a maximum value of 2.35 ppm/K. The value of refractive index (RI), on the other hand, was found to decrease with increased B2O3 incorporation. A qualitative correlation between B2O3 and SiO2 system composition and physical properties such as CTE and RI was established.

Synthesis of a fluorine-free polymeric water-repellent agent for creation of superhydrophobic fabrics

NASA Astrophysics Data System (ADS)

Shen, Keke; Yu, Miao; Li, Qianqian; Sun, Wei; Zhang, Xiting; Quan, Miao; Liu, Zhengtang; Shi, Suqing; Gong, Yongkuan

2017-12-01

A non-fluorinated polymeric alkylsilane, poly(isobutyl methacrylate-co-3-methacryloxypropyltrimethoxysilane) (PIT), is designed and synthesized to replace the commercial long-chain perfluoroalkylsilane (FAS) water-repellent agent. The superhydrophobic polyester fabrics are prepared by anchoring sol-gel derived silica nanoparticles onto alkali-treated polyester fabric surfaces and subsequently hydrophobilizing with PIT, using FAS as control. The surface chemical composition, surface morphology, wetting behavior and durability of the modified polyester fabrics are characterized by scanning electron microscopy (SEM), X-ray photoelectron spectrophotometer (XPS) and video-based contact angle goniometer, respectively. The results show that a porous silica layer could be successfully fabricated onto the surface of polyester fabric through base-catalyzed sol-gel process with tetraethoxysilane (TEOS) as precursor, incorporating additional nanostructured roughness essential for superhydrophobicity. At the same time, such a silica primer layer could provide both secondary reactive moieties (-Si - OH) for the subsequent surface hydrophobization and acceptable adhesion at the silica-polyester fabric interface. When silica modified polyester fabric (SiO2@ fabric) is hydrophobized by PIT solution (10 mg/mL), excellent water-repellency could be obtained. The water contact angle is up to 154° and the sliding angle is about 5°. Compared with small molecule water-repellent agent FAS, PIT modified SiO2@ fabric exhibits greatly improved solvent resistance under ultra-sonication, abrasion and simulated laundering durability. The anti-stain property of PIT-modified SiO2@ fabric is also evaluated by using different aqueous colored solutions.

Interactions between organic amendments and phosphate fertilizers modify phosphate sorption processes in an acid soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sckefe, C.R.; Patti, A.F.; Clune, T.S.

2008-07-15

To determine how organic amendments and phosphate fertilizers interact to modify P sorption processes, three phosphate fertilizers were applied to lignite- and compost-amended acid soil and incubated for either 3 or 26 days. The fertilizers applied were potassium dihydrogen phosphate, triple superphosphate, and diammonium phosphate (DAP). After 3 days of incubation, sorption of all three P sources was decreased in the lignite-amended treatments, whereas P sorption was increased in the compost-amended treatments. Increased incubation time (26 days) resulted in significantly decreased P sorption when DAP was added to lignite-amended treatments. Addition of triple superphosphate increased P sorption in lignite- andmore » compost-amended treatments and decreased solution pH compared with DAP application. In addition to the effect of P source, differences in P sorption between the lignite- and compost-amended treatments were driven by differences in solution chemistry, predominantly solution pH and cation dynamics. Soil amendment and fertilizer addition also increased microbial activity in the incubation systems, as measured by carbon dioxide respiration. It is proposed that the combination of lignite and DAP may contribute to decreased P sorption in acid soils, with the positive effects likely caused by both chemical and biological processes, including the formation of soluble organic-metal complexes.« less

Fabrication and evaluation of evanescent wave absorption based polyaniline-cladding modified fiber optic urea biosensor

NASA Astrophysics Data System (ADS)

Botewad, S. N.; Pahurkar, V. G.; Muley, G. G.

2018-01-01

The fabrication and study of cladding modified intrinsic fiber optic urea biosensor has been reported in the present investigation. A simple cladding modification technique was used to construct the sensor by uncladding the small portion from optical fiber. Further bare core was decorated by supportive porous, chemically and optically sensitive matrix material polyaniline (PANI) as an active cladding for enzyme residency. Enzyme-urease (Urs) was cross-linked on the active cladding region via glutaraldehyde solution. Confirmation of the prepared PANI in proper form determined by ultraviolet-visible and Fourier transform infrared spectroscopic techniques. X-ray diffraction technique was employed for nature and compatibility examination of PANI. Sensor parameters such as sensitivity, selectivity, stability and lower detection limit have been analyzed by absorption variation study in evanescent wave field. The response of prepared sensor was studied towards urea in the wide concentration range 100 nM-100 mM and confirmed its lowest detection limit as 100 nM. The stability of sensor was found 28 days with little variation in response. The fabricated sensor has not shown any response towards interference species like glucose, ascorbic acid, L-alanine, L-arginine and their combination with urea solution and hence found selective for urea solution only.

On-line separation and preconcentration of lead(II) by solid-phase extraction using activated carbon loaded with xylenol orange and its determination by flame atomic absorption spectrometry.

PubMed

Ensafi, Ali A; Shiraz, A Zendegi

2008-02-11

Activated carbon loaded with xylenol orange in a mini-column was used for the highly selective separation and preconcentration of Pb(II) ions. An on-line system for enrichment and the determination of Pb(II) was carried out on flame atomic absorption spectrometry. The conditions of preconcentration and quantitative recovery of Pb(II) from diluted solution, such as pH of aqueous phase, amount of the sorbent, volume of the solutions and flow variables were studied as well as effect of potential interfering ions. Under the optimum conditions, Pb(II) in an aqueous sample was concentrated about 200-fold and the detection limit was 0.4 ng mL(-1) Pb(II). The adsorption capacity of the solid phase was 0.20mg of lead per one gram of the modified activated carbon. The modified activated carbon is stable for several treatments of sample solutions without the need for using any chemical reagent. The recovery of lead(II) from river water, waste water, tap water, and in the following reference materials: SRM 2711 Montana soil and GBW-07605 tea were obtained in the range of 97-104% by the proposed method.

Improved delivery through biological membranes. XXXL: Solubilization and stabilization of an estradiol chemical delivery system by modified beta-cyclodextrins.

PubMed

Brewster, M E; Estes, K S; Loftsson, T; Perchalski, R; Derendorf, H; Mullersman, G; Bodor, N

1988-11-01

A dihydropyridine in equilibrium pyridinium salt chemical delivery system (CDS) for estradiol (E2CDS) was complexed with various modified beta-cyclodextrins including hydroxyethyl-beta-cyclodextrin (HECD), hydroxypropyl-beta-cyclodextrin (HPCD), and heptakis(2,6-di-O-methyl)-beta-cyclodextrin (DMCD). Complex formation with all of these cyclodextrins resulted in dramatic increases in the water solubility of E2CDS. Studies on the complex of E2CDS and HPCD (E2CDS-CD) indicated that the encapsulated estrogen was approximately four times more stable than the unmanipulated CDS, producing an estimated half-life of degradation of 4 years compared with 1.2 years for the uncomplexed drug at room temperature. The complexation of E2CDS and HPCD also stabilized the dihydronicotinate in solutions containing potassium ferricyanide. This formulation was shown to be equivalent to E2CDS in dimethyl sulfoxide in delivering the oxidized, estradiol precursor (E2Q+) to the brain, and also produced similar biological responses; these included decreased luteinizing hormone (LH) secretion and a decrease in the rate of weight gain in castrated female rats.

Synthesis of graphene oxide through different oxidation degrees for solar cells

NASA Astrophysics Data System (ADS)

Zhang, Xiaoshan; Wang, Huan; Huang, Tianjiao; Wen, Lingling; Zhou, Liya

2018-03-01

Graphene is known as an electro-chemical material and widely used in electro-chemical devices, especially in solar cell. Decreasing the thickness of the layer is a critical way to improve the electrochemical property of solar cells as far as possible. Among the various oxidation approaches, presented herein is a facile approach, which is easier, less cost and more effective, environmental benign with the greener processing and without any requirement for post purification, towards the synthesis of graphene oxide (GO) with different oxidation degrees by potassium ferrate (K2FeO4). A modified method using less amount of oxidizing agent is reported herein. It is the pretreatment of the synthesis of graphite, which maintains the thermal cycle of the system. This novel reports to compound GO with controlled oxidation degrees can not only increase the quantity of oxygen-containing functional groups on GO surface, increase space between graphene oxide layer and facilitate the dispersion of graphene in aqueous solution. Thus, the modified method shows prospect for large-scale production of graphene oxide and its novel application, in addition to its derivative and market potential for solar cells.

Influence of ammonium hydroxide solution on LiMn2O4 nanostructures prepared by modified chemical bath method

NASA Astrophysics Data System (ADS)

Koao, Lehlohonolo F.; Motloung, Setumo V.; Motaung, Tshwafo E.; Kebede, Mesfin A.

2018-04-01

LiMn2O4 (LMO) powders were prepared by modified chemical bath deposition (CBD) method by varying ammonium hydroxide solution (AHS). The volume of the AHS was varied from 5 to 120 mL in order to determine the optimum volume that is needed for preparation of LMO powders. The effect of AHS volume on the structure, morphology, and electrochemical properties of LMO powders was investigated. The X-ray diffraction (XRD) patterns of the LMO powders correspond to the cubic spinel LMO phase. It was found that the XRD peaks increased in intensity with increasing volume of the AHS up to 20 mL. The estimated average grain sizes calculated using the XRD patterns were found to be in the order of 66 ± 1 nm. It was observed that the estimated average grain sizes increased up to 20 mL of AHS. The scanning electron microscopy (SEM) results revealed that the AHS volume does not influence the surface morphology of the prepared nano-powders. Elemental energy dispersive (EDS) analysis mapping conducted on the samples revealed homogeneous distribution of Mn and O for the sample synthesized with 120 mL of AHS. The UV-Vis spectra showed a red shift with an increase in AHS up 20 mL. The cyclic voltammetry and galvanostatic charge/discharge cycle testing confirmed that 20 mL of AHS has superior lithium ion kinetics and electrochemical performance.

Improving lead adsorption through chemical modification of wheat straw by lactic acid

NASA Astrophysics Data System (ADS)

Mu, Ruimin; Wang, Minxiang; Bu, Qingwei; Liu, Dong; Zhao, Yanli

2018-01-01

This work describes the creation of a new cellulosic material derived from wheat straw modified by lactic acid for adsorption of lead in aqueous solution, called 0.3LANS (the concentration of the lactic acid were 0.3mol/L). Batch experiments were conducted to study the effects of initial pH value, contact time, adsorbent dose, initial concentration and temperature. Fourier transform infrared (FTIR), Elemental analysis, BET surface area and Scanning electron micrographs (SEM) analysis were used to investigate the chemical modification. Adsorption isotherm models namely, Langmuir, Freundlich were used to analyse the equilibrium data, and the Langmuir isotherm model provided the best correlation, means that the adsorption was chemical monolayer adsorption and the adsorption capacity qm was increased with increasing temperature, and reached 51.49mg/g for 0.3LANS at 35°C, showing adsorption was exothermic.

Dissolution of lanthanide alumino-silicate oxynitride glasses

NASA Astrophysics Data System (ADS)

Bois, L.; Barré, N.; Guillopé, S.; Guittet, M. J.; Gautier-Soyer, M.; Duraud, J. P.; Trocellier, P.; Verdier, P.; Laurent, Y.

2000-01-01

The aqueous corrosion behavior of lanthanide aluminosilicate glasses has been studied under static conditions ( T=96°C, duration=1 and 3 months, glass surface area/leachate volume, S/ V=0.3 cm -1) by means of solution and solid analyses. It was found that these glasses exhibit a high chemical durability. The influence of yttrium, magnesium and nitrogen, which are supposed to improve the mechanical properties, on the chemical durability, has been investigated. After a one-month experiment, lanthanum and yttrium releases were found to be about 10 -7 mol l -1, while silicon and aluminum releases were about 10 -5 mol l -1. Yttrium seems to improve the chemical durability. The presence of nitrogen does not seem to modify the glass constituents releases, but seems to improve the surface state of the altered glass. XPS experiments reveal that lanthanum and yttrium are more concentrated near the surface (20-30 Å) of the glass after the leaching test.

Chemically reactive species in squeezed flow through modified Fourier's and Fick's laws

NASA Astrophysics Data System (ADS)

Farooq, M.; Ahmad, S.; Javed, M.; Anjum, Aisha

2018-02-01

The squeezing flow of a Newtonian fluid with variable viscosity over a stretchable sheet embedded in Darcy porous medium is addressed. Cattaneo-Christov double diffusion models are adopted to disclose the salient features of heat and mass transport via variable thermal conductivity and variable mass diffusivity instead of conventional Fourier's and Fick's laws. Further, the concept of heat generation/absorption coefficient and first-order chemical reaction are also imposed to illustrate the characteristics of heat and mass transfer. Highly nonlinear computations are developed in dimensionless form and analyzed via the homotopic technique. The variation of flow parameters on velocity, concentration, and temperature distributions are sketched and disclosed physically. The results found that both concentration and temperature distributions decay for higher solutal and thermal relaxation parameters, respectively. Moreover, a higher chemical reaction parameter results in the reduction of the concentration field whereas the temperature profile enhances for a higher heat generation/absorption parameter.

Viscometric and misting properties of polymer-modified fuel

NASA Technical Reports Server (NTRS)

Grens, E. A., II; Williams, M. C.

1982-01-01

Solutions of polyisobutylenes L160, L200, B200, and B230 in Jet-A were prepared at concentrations up to 3000 ppm. These polymers have molecular weights in the range 5 to 9 x 1,00,000 and have previously been shown to induce anti-misting properties in Jet-A. In connection with the pumpability of such solutions, especially at low temperatures, the shear viscosity, eta, of these solutions was measured at temperatures 25 C, 0 C, and -25 C. Concentration-dependence of eta was very similar for all four polymer solutes, the increase of eta(c) at 3000 ppm being roughly four-fold (relative to Jet-A) for the L-series and five-fold for the B-series. This behavior prevailed at all temperatures, and there was no evidence of phase separation or other chemical instability at -25 C at any concentration. In the more practical c-range for anti-misting applications, say within 1000 ppm, the increase of eta(c) was only twofold.

Transparent nanocrystalline ZnO and ZnO:Al coatings obtained through ZnS sols

NASA Astrophysics Data System (ADS)

Kolobkova, E. V.; Evstropiev, S. K.; Nikonorov, N. V.; Vasilyev, V. N.; Evstropyev, K. S.

2017-11-01

Thin and uniform ZnO and ZnO:Al coatings were prepared on glass surfaces by using film-forming colloidal solutions containing small ZnS nanoparticles and polyvinylpyrrolidone as a polymer stabilizer. Film-forming ZnS sols were synthesized in the mixed water-propanol-2 solutions by chemical reaction between zinc nitrate and sodium sulfide. The addition of modifying component such as Al(NO3)3 into the film-forming solutions allows one to obtain thin and uniform ZnO:Al coatings. An increase in the sodium sulfide content in film-forming solutions leads to the growth of light absorption in the UV. The evolution of a coating material at all technological stages from the ZnS sols up to the transparent ZnO and ZnO:Al2O3 coatings (the latter kind being denoted further, in accord with a common practice, by ZnO:Al) was studied using the optical spectroscopy, XRD analysis, DSC-TGA, and SEM methods. The chemical processes of decomposing salts and the polymer occur by heating the intermediate composite ZnS/polyvinylpyrrolidone coatings in the 280-500 °C temperature range. Experimental data show that the ZnO and ZnO:Al coatings prepared consist of the slightly elongated oxide nanoparticles. These coatings fully cover the glass surface and demonstrate a high transparency in the UV and visible.

Nanofibers made of globular proteins.

PubMed

Dror, Yael; Ziv, Tamar; Makarov, Vadim; Wolf, Hila; Admon, Arie; Zussman, Eyal

2008-10-01

Strong nanofibers composed entirely of a model globular protein, namely, bovine serum albumin (BSA), were produced by electrospinning directly from a BSA solution without the use of chemical cross-linkers. Control of the spinnability and the mechanical properties of the produced nanofibers was achieved by manipulating the protein conformation, protein aggregation, and intra/intermolecular disulfide bonds exchange. In this manner, a low-viscosity globular protein solution could be modified into a polymer-like spinnable solution and easily spun into fibers whose mechanical properties were as good as those of natural fibers made of fibrous protein. We demonstrate here that newly formed disulfide bonds (intra/intermolecular) have a dominant role in both the formation of the nanofibers and in providing them with superior mechanical properties. Our approach to engineer proteins into biocompatible fibrous structures may be used in a wide range of biomedical applications such as suturing, wound dressing, and wound closure.

Determining the Chemical Composition of Corrosion Inhibitor/Metal Interfaces with XPS: Minimizing Post Immersion Oxidation

PubMed Central

Walczak, Monika S.; Morales-Gil, Perla; Belashehr, Turia; Kousar, Kiran; Arellanes Lozada, Paulina; Lindsay, Robert

2017-01-01

An approach for acquiring more reliable X-ray photoelectron spectroscopy data from corrosion inhibitor/metal interfaces is described. More specifically, the focus is on metallic substrates immersed in acidic solutions containing organic corrosion inhibitors, as these systems can be particularly sensitive to oxidation following removal from solution. To minimize the likelihood of such degradation, samples are removed from solution within a glove box purged with inert gas, either N2 or Ar. The glove box is directly attached to the load-lock of the ultra-high vacuum X-ray photoelectron spectroscopy instrument, avoiding any exposure to the ambient laboratory atmosphere, and thus reducing the possibility of post immersion substrate oxidation. On this basis, one can be more certain that the X-ray photoelectron spectroscopy features observed are likely to be representative of the in situ submerged scenario, e.g. the oxidation state of the metal is not modified. PMID:28362363

Determining the Chemical Composition of Corrosion Inhibitor/Metal Interfaces with XPS: Minimizing Post Immersion Oxidation.

PubMed

Walczak, Monika S; Morales-Gil, Perla; Belashehr, Turia; Kousar, Kiran; Arellanes Lozada, Paulina; Lindsay, Robert

2017-03-15

An approach for acquiring more reliable X-ray photoelectron spectroscopy data from corrosion inhibitor/metal interfaces is described. More specifically, the focus is on metallic substrates immersed in acidic solutions containing organic corrosion inhibitors, as these systems can be particularly sensitive to oxidation following removal from solution. To minimize the likelihood of such degradation, samples are removed from solution within a glove box purged with inert gas, either N2 or Ar. The glove box is directly attached to the load-lock of the ultra-high vacuum X-ray photoelectron spectroscopy instrument, avoiding any exposure to the ambient laboratory atmosphere, and thus reducing the possibility of post immersion substrate oxidation. On this basis, one can be more certain that the X-ray photoelectron spectroscopy features observed are likely to be representative of the in situ submerged scenario, e.g. the oxidation state of the metal is not modified.

Bioactive and Porous Metal Coatings for Improved Tissue Regeneration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campbell, A. A.

Our first objective was to develop the SIM process for the deposition of calcium phosphate films. This process is based on the observation that, in nature, living organisms use macromolecules to control the nucleation and growth of mineral phases. These macromolecules act as templates where various charged functional groups, contained within the molecule, can interact with the ions in the surrounding media, thus stimulating crystal nucleation and growth. Rather than using complex proteins or biopolymers, surface modification schemes were developed to place simple functional groups on the underlying substrate using self-assembling monolayers. Once the substrate was chemically modified, it wasmore » then placed into an aqueous solution containing soluble precursors of the desired mineral coating. Solution pH, ionic concentration and temperature is maintained in a regime where the solution is supersaturated with respect to the desired mineral phase, thereby creating the driving force for nucleation and growth.« less

RNAi Screening with Self-Delivering, Synthetic siRNAs for Identification of Genes That Regulate Primary Human T Cell Migration.

PubMed

Freeley, Michael; Derrick, Emily; Dempsey, Eugene; Hoff, Antje; Davies, Anthony; Leake, Devin; Vermeulen, Annaleen; Kelleher, Dermot; Long, Aideen

2015-09-01

Screening of RNA interference (RNAi) libraries in primary T cells is labor-intensive and technically challenging because these cells are hard to transfect. Chemically modified, self-delivering small interfering RNAs (siRNAs) offer a solution to this problem, because they enter hard-to-transfect cell types without needing a delivery reagent and are available in library format for RNAi screening. In this study, we have screened a library of chemically modified, self-delivering siRNAs targeting the expression of 72 distinct genes in conjunction with an image-based high-content-analysis platform as a proof-of-principle strategy to identify genes involved in lymphocyte function-associated antigen-1 (LFA-1)-mediated migration in primary human T cells. Our library-screening strategy identified the small GTPase RhoA as being crucial for T cell polarization and migration in response to LFA-1 stimulation and other migratory ligands. We also demonstrate that multiple downstream assays can be performed within an individual RNAi screen and have used the remainder of the cells for additional assays, including cell viability and adhesion to ICAM-1 (the physiological ligand for LFA-1) in the absence or presence of the chemokine SDF-1α. This study therefore demonstrates the ease and benefits of conducting siRNA library screens in primary human T cells using self-delivering, chemically modified siRNAs, and it emphasizes the feasibility and potential of this approach for elucidating the signaling pathways that regulate T cell function. © 2015 Society for Laboratory Automation and Screening.

Lead sorption by biochar produced from digestates: Consequences of chemical modification and washing.

PubMed

Wongrod, Suchanya; Simon, Stéphane; Guibaud, Gilles; Lens, Piet N L; Pechaud, Yoan; Huguenot, David; van Hullebusch, Eric D

2018-08-01

The main objectives of this work are to investigate the consequences of different chemical treatments (i.e. potassium hydroxide (KOH) and hydrogen peroxide (H 2 O 2 )) and the effect of biochar washing on the Pb sorption capacity. Biochars derived from sewage sludge digestate and the organic fraction of municipal solid waste digestate were separately modified with 2 M KOH or 10% H 2 O 2 followed by semi-continuous or continuous washing with ultrapure water using batch or a column reactor, respectively. The results showed that the Pb adsorption capacity could be enhanced by chemical treatment of sludge-based biochar. Indeed, for municipal solid waste biochar, the Pb maximum sorption capacity was improved from 73 mg g -1 for unmodified biochar to 90 mg g -1 and 106 mg g -1 after H 2 O 2 and KOH treatment, respectively. In the case of sewage sludge biochar, it increased from 6.5 mg g -1 (unmodified biochar) to 25 mg g -1 for H 2 O 2 treatment. The sorption capacity was not determined after KOH treatment, since the Langmuir model did not fit the experimental data. The study also highlights that insufficient washing after KOH treatment can strongly hinder Pb sorption due to the release of organic matter from the modified biochar. This organic matter may interact in solution with Pb, resulting in an inhibition of its sorption onto the biochar surface. Continuous column-washing of modified biochars was able to correct this issue, highlighting the importance of implementing a proper treated biochar washing procedure. Copyright © 2018 Elsevier Ltd. All rights reserved.

Destruction of chemical warfare agents using metal-organic frameworks

NASA Astrophysics Data System (ADS)

Mondloch, Joseph E.; Katz, Michael J.; Isley, William C., III; Ghosh, Pritha; Liao, Peilin; Bury, Wojciech; Wagner, George W.; Hall, Morgan G.; Decoste, Jared B.; Peterson, Gregory W.; Snurr, Randall Q.; Cramer, Christopher J.; Hupp, Joseph T.; Farha, Omar K.

2015-05-01

Chemical warfare agents containing phosphonate ester bonds are among the most toxic chemicals known to mankind. Recent global military events, such as the conflict and disarmament in Syria, have brought into focus the need to find effective strategies for the rapid destruction of these banned chemicals. Solutions are needed for immediate personal protection (for example, the filtration and catalytic destruction of airborne versions of agents), bulk destruction of chemical weapon stockpiles, protection (via coating) of clothing, equipment and buildings, and containment of agent spills. Solid heterogeneous materials such as modified activated carbon or metal oxides exhibit many desirable characteristics for the destruction of chemical warfare agents. However, low sorptive capacities, low effective active site loadings, deactivation of the active site, slow degradation kinetics, and/or a lack of tailorability offer significant room for improvement in these materials. Here, we report a carefully chosen metal-organic framework (MOF) material featuring high porosity and exceptional chemical stability that is extraordinarily effective for the degradation of nerve agents and their simulants. Experimental and computational evidence points to Lewis-acidic ZrIV ions as the active sites and to their superb accessibility as a defining element of their efficacy.

Destruction of chemical warfare agents using metal-organic frameworks.

PubMed

Mondloch, Joseph E; Katz, Michael J; Isley, William C; Ghosh, Pritha; Liao, Peilin; Bury, Wojciech; Wagner, George W; Hall, Morgan G; DeCoste, Jared B; Peterson, Gregory W; Snurr, Randall Q; Cramer, Christopher J; Hupp, Joseph T; Farha, Omar K

2015-05-01

Chemical warfare agents containing phosphonate ester bonds are among the most toxic chemicals known to mankind. Recent global military events, such as the conflict and disarmament in Syria, have brought into focus the need to find effective strategies for the rapid destruction of these banned chemicals. Solutions are needed for immediate personal protection (for example, the filtration and catalytic destruction of airborne versions of agents), bulk destruction of chemical weapon stockpiles, protection (via coating) of clothing, equipment and buildings, and containment of agent spills. Solid heterogeneous materials such as modified activated carbon or metal oxides exhibit many desirable characteristics for the destruction of chemical warfare agents. However, low sorptive capacities, low effective active site loadings, deactivation of the active site, slow degradation kinetics, and/or a lack of tailorability offer significant room for improvement in these materials. Here, we report a carefully chosen metal-organic framework (MOF) material featuring high porosity and exceptional chemical stability that is extraordinarily effective for the degradation of nerve agents and their simulants. Experimental and computational evidence points to Lewis-acidic Zr(IV) ions as the active sites and to their superb accessibility as a defining element of their efficacy.

SERS Taper-Fiber Nanoprobe Modified by Gold Nanoparticles Wrapped with Ultrathin Alumina Film by Atomic Layer Deposition

PubMed Central

Xu, Wenjie; Chen, Zhenyi; Chen, Na; Zhang, Heng; Liu, Shupeng; Hu, Xinmao; Wen, Jianxiang; Wang, Tingyun

2017-01-01

A taper-fiber SERS nanoprobe modified by gold nanoparticles (Au-NPs) with ultrathin alumina layers was fabricated and its ability to perform remote Raman detection was demonstrated. The taper-fiber nanoprobe (TFNP) with a nanoscale tip size under 80 nm was made by heated pulling combined with the chemical etching method. The Au-NPs were deposited on the TFNP surface with the electrostatic self-assembly technology, and then the TFNP was wrapped with ultrathin alumina layers by the atomic layer deposition (ALD) technique. The results told us that with the increasing thickness of the alumina film, the Raman signals decreased. With approximately 1 nm alumina film, the remote detection limit for R6G aqueous solution reached 10−6 mol/L. PMID:28245618

Composite anion-exchangers modified with nanoparticles of hydrated oxides of multivalent metals

NASA Astrophysics Data System (ADS)

Maltseva, T. V.; Kolomiets, E. O.; Dzyazko, Yu. S.; Scherbakov, S.

2018-02-01

Organic-inorganic composite ion-exchangers based on anion exchange resins have been obtained. Particles of one-component and two-component modifier were embedded using the approach, which allows us to realize purposeful control of a size of the embedded particles. The approach is based on Ostwald-Freundlich equation, which was adapted to deposition in ion exchange matrix. The equation was obtained experimentally. Hydrated oxides of zirconium and iron were applied to modification, concentration of the reagents were varied. The embedded particles accelerate sorption, the rate of which is fitted by the model equation of chemical reactions of pseudo-second order. When sorption of arsenate ions from very diluted solution (50 µg dm-3) occurs, the composites show higher distribution coefficients comparing with the pristine resin.

Polyrhodanine modified anodic aluminum oxide membrane for heavy metal ions removal.

PubMed

Song, Jooyoung; Oh, Hyuntaek; Kong, Hyeyoung; Jang, Jyongsik

2011-03-15

Polyrhodanine was immobilized onto the inner surface of anodic aluminum oxide (AAO) membrane via vapor deposition polymerization method. The polyrhodanine modified membrane was applied to remove heavy metal ions from aqueous solution because polyrhodanine could be coordinated with specific metal ions. Several parameters such as initial metal concentration, contact time and metal species were evaluated systematically for uptake efficiencies of the fabricated membrane under continuous flow condition. Adsorption isotherms of Hg(II) ion on the AAO-polyrhodanine membrane were analyzed with Langmuir and Freundlich isotherm models. The adsorption rate of Hg(II) ion on the membrane was obeyed by a pseudo-second order equation, indicating the chemical adsorption. The maximum removal capacity of Hg(II) ion onto the fabricated membrane was measured to be 4.2 mmol/g polymer. The AAO-polyrhodanine membrane had also remarkable uptake performance toward Ag(I) and Pb(II) ions. Furthermore, the polyrhodanine modified membrane could be recycled after recovery process. These results demonstrated that the polyrhodanine modified AAO membrane provided potential applications for removing the hazardous heavy metal ions from wastewater. Copyright © 2011 Elsevier B.V. All rights reserved.

Influence of Chemical Precleaning on the Plasma Treatment Efficiency of Aluminum by RF Plasma Pencil

NASA Astrophysics Data System (ADS)

Vadym, Prysiazhnyi; Pavel, Slavicek; Eliska, Mikmekova; Milos, Klima

2016-04-01

This paper is aimed to show the influence of initial chemical pretreatment prior to subsequent plasma activation of aluminum surfaces. The results of our study showed that the state of the topmost surface layer (i.e. the surface morphology and chemical groups) of plasma modified aluminum significantly depends on the chemical precleaning. Commonly used chemicals (isopropanol, trichlorethane, solution of NaOH in deionized water) were used as precleaning agents. The plasma treatments were done using a radio frequency driven atmospheric pressure plasma pencil developed at Masaryk University, which operates in Ar, Ar/O2 gas mixtures. The effectiveness of the plasma treatment was estimated by the wettability measurements, showing high wettability improvement already after 0.3 s treatment. The effects of surface cleaning (hydrocarbon removal), surface oxidation and activation (generation of OH groups) were estimated using infrared spectroscopy. The changes in the surface morphology were measured using scanning electron microscopy. Optical emission spectroscopy measurements in the near-to-surface region with temperature calculations showed that plasma itself depends on the sample precleaning procedure.

Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

DOE PAGES

Fellinger, Michael R.; Hector, Louis G.; Trinkle, Dallas R.

2016-10-28

Here, we present an efficient methodology for computing solute-induced changes in lattice parameters and elastic stiffness coefficients Cij of single crystals using density functional theory. We also introduce a solute strain misfit tensor that quantifies how solutes change lattice parameters due to the stress they induce in the host crystal. Solutes modify the elastic stiffness coefficients through volumetric changes and by altering chemical bonds. We compute each of these contributions to the elastic stiffness coefficients separately, and verify that their sum agrees with changes in the elastic stiffness coefficients computed directly using fully optimized supercells containing solutes. Computing the twomore » elastic stiffness contributions separately is more computationally efficient and provides more information on solute effects than the direct calculations. We compute the solute dependence of polycrystalline averaged shear and Young's moduli from the solute dependence of the single-crystal Cij. We then apply this methodology to substitutional Al, B, Cu, Mn, Si solutes and octahedral interstitial C and N solutes in bcc Fe. Comparison with experimental data indicates that our approach accurately predicts solute-induced changes in the lattice parameter and elastic coefficients. The computed data can be used to quantify solute-induced changes in mechanical properties such as strength and ductility, and can be incorporated into mesoscale models to improve their predictive capabilities.« less

Peroxide-modified titanium dioxide: a chemical analog of putative Martian soil oxidants

NASA Technical Reports Server (NTRS)

Quinn, R. C.; Zent, A. P.

1999-01-01

Hydrogen peroxide chemisorbed on titanium dioxide (peroxide-modified titanium dioxide) is investigated as a chemical analog to the putative soil oxidants responsible for the chemical reactivity seen in the Viking biology experiments. When peroxide-modified titanium dioxide (anatase) was exposed to a solution similar to the Viking labeled release (LR) experiment organic medium, CO2 gas was released into the sample cell headspace. Storage of these samples at 10 degrees C for 48 hr prior to exposure to organics resulted in a positive response while storage for 7 days did not. In the Viking LR experiment, storage of the Martian surface samples for 2 sols (approximately 49 hr) resulted in a positive response while storage for 141 sols essentially eliminated the initial rapid release of CO2. Heating the peroxide-modified titanium dioxide to 50 degrees C prior to exposure to organics resulted in a negative response. This is similar to, but not identical to, the Viking samples where heating to approximately 46 degrees C diminished the response by 54-80% and heating to 51.5 apparently eliminated the response. When exposed to water vapor, the peroxide-modified titanium dioxide samples release O2 in a manner similar to the release seen in the Viking gas exchange experiment (GEx). Reactivity is retained upon heating at 50 degrees C for three hours, distinguishing this active agent from the one responsible for the release of CO2 from aqueous organics. The release of CO2 by the peroxide-modified titanium dioxide is attributed to the decomposition of organics by outer-sphere peroxide complexes associated with surface hydroxyl groups, while the release of O2 upon humidification is attributed to more stable inner-sphere peroxide complexes associated with Ti4+ cations. Heating the peroxide-modified titanium dioxide to 145 degrees C inhibited the release of O2, while in the Viking experiments heating to this temperature diminished but did not eliminated the response. Although the thermal stability of the titanium-peroxide complexes in this work is lower than the stability seen in the Viking experiments, it is expected that similar types of complexes will form in titanium containing minerals other than anatase and the stability of these complexes will vary with surface hydroxylation and mineralogy.

Specific detection of biomolecules in physiological solutions using graphene transistor biosensors

PubMed Central

Gao, Ning; Gao, Teng; Yang, Xiao; Dai, Xiaochuan; Zhou, Wei; Zhang, Anqi; Lieber, Charles M.

2016-01-01

Nanomaterial-based field-effect transistor (FET) sensors are capable of label-free real-time chemical and biological detection with high sensitivity and spatial resolution, although direct measurements in high–ionic-strength physiological solutions remain challenging due to the Debye screening effect. Recently, we demonstrated a general strategy to overcome this challenge by incorporating a biomolecule-permeable polymer layer on the surface of silicon nanowire FET sensors. The permeable polymer layer can increase the effective screening length immediately adjacent to the device surface and thereby enable real-time detection of biomolecules in high–ionic-strength solutions. Here, we describe studies demonstrating both the generality of this concept and application to specific protein detection using graphene FET sensors. Concentration-dependent measurements made with polyethylene glycol (PEG)-modified graphene devices exhibited real-time reversible detection of prostate specific antigen (PSA) from 1 to 1,000 nM in 100 mM phosphate buffer. In addition, comodification of graphene devices with PEG and DNA aptamers yielded specific irreversible binding and detection of PSA in pH 7.4 1x PBS solutions, whereas control experiments with proteins that do not bind to the aptamer showed smaller reversible signals. In addition, the active aptamer receptor of the modified graphene devices could be regenerated to yield multiuse selective PSA sensing under physiological conditions. The current work presents an important concept toward the application of nanomaterial-based FET sensors for biochemical sensing in physiological environments and thus could lead to powerful tools for basic research and healthcare. PMID:27930344

Specific detection of biomolecules in physiological solutions using graphene transistor biosensors.

PubMed

Gao, Ning; Gao, Teng; Yang, Xiao; Dai, Xiaochuan; Zhou, Wei; Zhang, Anqi; Lieber, Charles M

2016-12-20

Nanomaterial-based field-effect transistor (FET) sensors are capable of label-free real-time chemical and biological detection with high sensitivity and spatial resolution, although direct measurements in high-ionic-strength physiological solutions remain challenging due to the Debye screening effect. Recently, we demonstrated a general strategy to overcome this challenge by incorporating a biomolecule-permeable polymer layer on the surface of silicon nanowire FET sensors. The permeable polymer layer can increase the effective screening length immediately adjacent to the device surface and thereby enable real-time detection of biomolecules in high-ionic-strength solutions. Here, we describe studies demonstrating both the generality of this concept and application to specific protein detection using graphene FET sensors. Concentration-dependent measurements made with polyethylene glycol (PEG)-modified graphene devices exhibited real-time reversible detection of prostate specific antigen (PSA) from 1 to 1,000 nM in 100 mM phosphate buffer. In addition, comodification of graphene devices with PEG and DNA aptamers yielded specific irreversible binding and detection of PSA in pH 7.4 1x PBS solutions, whereas control experiments with proteins that do not bind to the aptamer showed smaller reversible signals. In addition, the active aptamer receptor of the modified graphene devices could be regenerated to yield multiuse selective PSA sensing under physiological conditions. The current work presents an important concept toward the application of nanomaterial-based FET sensors for biochemical sensing in physiological environments and thus could lead to powerful tools for basic research and healthcare.

Changes in properties of polyacid-modified composite resins (compomers) following storage in acidic solutions.

PubMed

Nicholson, J W; Gjorgievska, E; Bajraktarova, B; McKenzie, M A

2003-06-01

The interaction of three polyacid-modified composite resins (compomers) with various acidic storage solutions, and also water, over periods of time up to 6 months has been studied and compared with those of a glass-ionomer and a composite resin. This interaction has been shown to vary in a complex way with length of storage and nature of the acid, and citric acid was found to be the most aggressive storage medium for glass-ionomer cement, and also for the compomers. The pure composite resin, by contrast, was relatively unaffected by all of the acid solutions examined. In all acids, the compomers showed a distinct buffering effect, i.e. they increased the pH towards neutral, as did the glass-ionomer. The extent of this also varied with duration of storage and nature of the acid. The biaxial flexure strength was determined and found to be essentially unaffected by the complex chemical interactions with acidic storage solutions. Values obtained for the compomers were lower than those of the composite resin, but above those of the glass-ionomer. Fourier-transform infrared (FT-IR) spectroscopy was employed to study the changes in the compomers following storage in the aqueous media, but bands were broad and no detailed assignments could be made. There were changes in the region of the spectra associated with metal carboxylates however, and this indicates that the secondary acid-base reaction had occurred following water uptake.

Characterization of potassium hydroxide (KOH) modified hydrochars from different feedstocks for enhanced removal of heavy metals from water.

PubMed

Sun, Kejing; Tang, Jingchun; Gong, Yanyan; Zhang, Hairong

2015-11-01

Hydrochars produced from different feedstocks (sawdust, wheat straw, and corn stalk) via hydrothermal carbonization (HTC) and KOH modification were used as alternative adsorbents for aqueous heavy metals remediation. The chemical and physical properties of the hydrochars and KOH-treated hydrochars were characterized, and the ability of hydrochars for removal of heavy metals from aqueous solutions as a function of reaction time, pH, and initial contaminant concentration was tested. The results showed that KOH modification of hydrochars might have increased the aromatic and oxygen-containing functional groups, such as carboxyl groups, resulting in about 2-3 times increase of cadmium sorption capacity (30.40-40.78 mg/g) compared to that of unmodified hydrochars (13.92-14.52 mg/g). The sorption ability among different feedstocks after modification was as the following: sawdust > wheat straw > corn stack. Cadmium sorption kinetics on modified hydrochars could be interpreted with a pseudo-second order, and sorption isotherm was simulated with Langmuir adsorption model. High cadmium uptake on modified hydrochars was observed over the pH range of 4.0-8.0, while for other heavy metals (Pb(2+), Cu(2+), and Zn(2+)) the range was 4.0-6.0. In a multi-metal system, the sorption capacity of heavy metals by modified hydrochars was also higher than that by unmodified ones and followed the order of Pb(II) > Cu(II) > Cd(II) > Zn(II). The results suggest that KOH-modified hydrochars can be used as a low cost, environmental-friendly, and effective adsorbent for heavy metal removal from aqueous solutions.

Computations of steady-state and transient premixed turbulent flames using pdf methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hulek, T.; Lindstedt, R.P.

1996-03-01

Premixed propagating turbulent flames are modeled using a one-point, single time, joint velocity-composition probability density function (pdf) closure. The pdf evolution equation is solved using a Monte Carlo method. The unclosed terms in the pdf equation are modeled using a modified version of the binomial Langevin model for scalar mixing of Valino and Dopazo, and the Haworth and Pope (HP) and Lagrangian Speziale-Sarkar-Gatski (LSSG) models for the viscous dissipation of velocity and the fluctuating pressure gradient. The source terms for the presumed one-step chemical reaction are extracted from the rate of fuel consumption in laminar premixed hydrocarbon flames, computed usingmore » a detailed chemical kinetic mechanism. Steady-state and transient solutions are obtained for planar turbulent methane-air and propane-air flames. The transient solution method features a coupling with a Finite Volume (FV) code to obtain the mean pressure field. The results are compared with the burning velocity measurements of Abdel-Gayed et al. and with velocity measurements obtained in freely propagating propane-air flames by Videto and Santavicca. The effects of different upstream turbulence fields, chemical source terms (different fuels and strained/unstrained laminar flames) and the influence of the velocity statistics models (HP and LSSG) are assessed.« less

Influence of dust and mud on the optical, chemical, and mechanical properties of a pv protective glass

PubMed Central

Yilbas, Bekir Sami.; Ali, Haider; Khaled, Mazen M.; Al-Aqeeli, Nasser; Abu-Dheir, Numan; Varanasi, Kripa K.

2015-01-01

Recent developments in climate change have increased the frequency of dust storms in the Middle East. Dust storms significantly influence the performances of solar energy harvesting systems, particularly (photovoltaic) PV systems. The characteristics of the dust and the mud formed from this dust are examined using various analytical tools, including optical, scanning electron, and atomic force microscopies, X-ray diffraction, energy spectroscopy, and Fourier transform infrared spectroscopy. The adhesion, cohesion and frictional forces present during the removal of dry mud from the glass surface are determined using a microtribometer. Alkali and alkaline earth metal compounds in the dust dissolve in water to form a chemically active solution at the glass surface. This solution modifies the texture of the glass surface, thereby increasing the microhardness and decreasing the transmittance of the incident optical radiation. The force required to remove the dry mud from the glass surface is high due to the cohesive forces that result from the dried mud solution at the interface between the mud and the glass. The ability altering the characteristics of the glass surface could address the dust/mud-related limitations of protective surfaces and has implications for efficiency enhancements in solar energy systems. PMID:26514102

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zorn, Gilad, E-mail: zorn@ge.com; Castner, David G.; Tyagi, Anuradha

Perfluorophenylazide (PFPA) chemistry is a novel method for tailoring the surface properties of solid surfaces and nanoparticles. It is general and versatile, and has proven to be an efficient way to immobilize graphene, proteins, carbohydrates, and synthetic polymers. The main thrust of this work is to provide a detailed investigation on the chemical composition and surface density of the PFPA tailored surface. Specifically, gold surfaces were treated with PFPA-derivatized (11-mercaptoundecyl)tetra(ethylene glycol) (PFPA-MUTEG) mixed with 2-[2-(2-mercaptoethoxy)ethoxy]ethanol (MDEG) at varying solution mole ratios. Complementary analytical techniques were employed to characterize the resulting films including Fourier transform infrared spectroscopy to detect fingerprints ofmore » the PFPA group, x-ray photoelectron spectroscopy and ellipsometry to study the homogeneity and uniformity of the films, and near edge x-ray absorption fine structures to study the electronic and chemical structure of the PFPA groups. Results from these studies show that the films prepared from 90:10 and 80:20 PFPA-MUTEG/MDEG mixed solutions exhibited the highest surface density of PFPA and the most homogeneous coverage on the surface. A functional assay using surface plasmon resonance with carbohydrates covalently immobilized onto the PFPA-modified surfaces showed the highest binding affinity for lectin on the PFPA-MUTEG/MDEG film prepared from a 90:10 solution.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Small, Leo J.; Brumbach, Michael T.; Clem, Paul G.

A new multi-step, solution-phase method for the spontaneous deposition of tungsten from a room temperature ethereal solution is reported. This immersion process relies on the deposition of a sacrificial zinc coating which is galvanically displaced by the ether-mediated reduction of oxophilic WCl 6. Subsequent thermal treatment renders a crystalline, metallic tungsten film. The chemical evolution of the surface and formation of a complex intermediate tungsten species is characterized by X-ray diffraction, infrared spectroscopy, and X-ray photoelectron spectroscopy. Efficient metallic tungsten deposition is first characterized on a graphite substrate and then demonstrated on a functional carbon foam electrode. The resulting electrochemicalmore » performance of the modified electrode is interrogated with the canonical aqueous ferricyanide system. A tungsten-coated carbon foam electrode showed that both electrode resistance and overall electrochemical cell resistance were reduced by 50%, resulting in a concomitant decrease in redox peak separation from 1.902 V to 0.783 V. Furthermore, this process promises voltage efficiency gains in electrodes for energy storage technologies and demonstrates the viability of a new route to tungsten coating for technologies and industries where high conductivity and chemical stability are paramount.« less

Immobilization of Rose Waste Biomass for Uptake of Pb(II) from Aqueous Solutions

PubMed Central

Ansari, Tariq Mahmood; Hanif, Muhammad Asif; Mahmood, Abida; Ijaz, Uzma; Khan, Muhammad Aslam; Nadeem, Raziya; Ali, Muhammad

2011-01-01

Rosa centifolia and Rosa gruss an teplitz distillation waste biomass was immobilized using sodium alginate for Pb(II) uptake from aqueous solutions under varied experimental conditions. The maximum Pb(II) adsorption occurred at pH 5. Immobilized rose waste biomasses were modified physically and chemically to enhance Pb(II) removal. The Langmuir sorption isotherm and pseudo-second-order kinetic models fitted well to the adsorption data of Pb(II) by immobilized Rosa centifolia and Rosa gruss an teplitz. The adsorbed metal is recovered by treating immobilized biomass with different chemical reagents (H2SO4, HCl and H3PO4) and maximum Pb(II) recovered when treated with sulphuric acid (95.67%). The presence of cometals Na, Ca(II), Al(III), Cr(III), Cr(VI), and Cu(II), reduced Pb(II) adsorption on Rosa centifolia and Rosa gruss an teplitz waste biomass. It can be concluded from the results of the present study that rose waste can be effectively used for the uptake of Pb(II) from aqueous streams. PMID:21350666

Preparation and physico-chemical properties of hydrogels from carboxymethyl cassava starch crosslinked with citric acid

NASA Astrophysics Data System (ADS)

Boonkham, Sasikan; Sangseethong, Kunruedee; Chatakanon, Pathama; Niamnuy, Chalida; Nakasaki, Kiyohiko; Sriroth, Klanarong

2014-06-01

Recently, environmentally friendly hydrogels prepared from renewable bio-based resources have drawn significant attention from both industrial and academic sectors. In this study, chemically crosslinked hydrogels have been developed from cassava starch which is a bio-based polymer using a non-toxic citric acid as a crosslinking agent. Cassava starch was first modified by carboxymethylation to improve its water absorbency property. The carboxymethyl cassava starch (CMCS) obtained was then crosslinked with citric acid at different concentrations and reaction times. The gel fraction of hydrogels increased progressively with increasing citric acid concentration. Free swelling capacity of hydrogels in de-ionized water, saline solution and buffers at various pHs as well as absorption under load were investigated. The results revealed that swelling behavior and mechanical characteristic of hydrogels depended on the citric acid concentration used in reaction. Increasing citric acid concentration resulted in hydrogels with stronger network but lower swelling and absorption capacity. The cassava starch hydrogels developed were sensitive to ionic strength and pH of surrounding medium, showing much reduced swelling capacity in saline salt solution and acidic buffers.

Planar structured perovskite solar cells by hybrid physical chemical vapor deposition with optimized perovskite film thickness

NASA Astrophysics Data System (ADS)

Wei, Xiangyang; Peng, Yanke; Jing, Gaoshan; Cui, Tianhong

2018-05-01

The thickness of perovskite absorber layer is a critical parameter to determine a planar structured perovskite solar cell’s performance. By modifying the spin coating speed and PbI2/N,N-dimethylformamide (DMF) solution concentration, the thickness of perovskite absorber layer was optimized to obtain high-performance solar cells. Using a PbI2/DMF solution of 1.3 mol/L, maximum power conversion efficiency (PCE) of a perovskite solar cell is 15.5% with a perovskite film of 413 nm at 5000 rpm, and PCE of 14.3% was also obtained for a solar cell with a perovskite film of 182 nm thick. It is derived that higher concentration of PbI2/DMF will result in better perovskite solar cells. Additionally, these perovskite solar cells are highly uniform. In 14 sets of solar cells, standard deviations of 11 sets of solar cells were less than 0.50% and the smallest standard deviation was 0.25%, which demonstrates the reliability and effectiveness of hybrid physical chemical vapor deposition (HPCVD) method.

Methylation stabilizes the imino tautomer of dAMP and amino tautomer of dCMP in solution.

PubMed

Jayanth, Namrata; Puranik, Mrinalini

2011-05-19

Alkylating agents cause methylation of adenosine and cytidine in DNA to generate 1-methyladenosine and 3-methylcytidine. These modified nucleosides can serve as regulators of cells or can act as agents of mutagenesis depending on the context and the partner enzymes. Solution structures and the chemical interactions with enzymes that lead to their recognition are of inherent interest. At physiological pH, 1-methyladenosine and 3-methylcytidine are presumed to be in the protonated amino forms in the literature. We report the structures, ionization states, and UV resonance Raman spectra of both substrates over a range of pH (2.5-11.0). The Raman excitation wavelength was tuned to selectively enhance Raman scattering from the nucleobase (260 nm) and further specifically from the imino form (210 nm) of 1-me-dAMP. We find that contrary to the general assumption, 1-me-dAMP is present in its neutral imino form at physiological pH and 3-me-dCMP is in the amino form. © 2011 American Chemical Society

On holographic Rényi entropy in some modified theories of gravity

NASA Astrophysics Data System (ADS)

Dey, Anshuman; Roy, Pratim; Sarkar, Tapobrata

2018-04-01

We perform a detailed analysis of holographic entanglement Rényi entropy in some modified theories of gravity with four dimensional conformal field theory duals. First, we construct perturbative black hole solutions in a recently proposed model of Einsteinian cubic gravity in five dimensions, and compute the Rényi entropy as well as the scaling dimension of the twist operators in the dual field theory. Consistency of these results are verified from the AdS/CFT correspondence, via a corresponding computation of the Weyl anomaly on the gravity side. Similar analyses are then carried out for three other examples of modified gravity in five dimensions that include a chemical potential, namely Born-Infeld gravity, charged quasi-topological gravity and a class of Weyl corrected gravity theories with a gauge field, with the last example being treated perturbatively. Some interesting bounds in the dual conformal field theory parameters in quasi-topological gravity are pointed out. We also provide arguments on the validity of our perturbative analysis, whenever applicable.

Sterilization of Bacillus pumilus spores using supercritical fluid carbon dioxide containing various modifier solutions.

PubMed

Shieh, Edison; Paszczynski, Andrzej; Wai, Chien M; Lang, Qingyong; Crawford, Ronald L

2009-03-01

Supercritical fluid carbon dioxide (SF-CO(2)) with small amounts of chemical modifier(s) provides a very effective sterilization technique that should be useful for destroying microorganism on heat-sensitive devices such as instruments flown on planetary-bound spacecraft. Under a moderate temperature (50 degrees C) and pressure (100 atm), spores of Bacillus pumilus strains ATCC 7061 and SAFR 032 can be effectively inactivated/eliminated from metal surfaces and small electronic devices in only 45 min using optimized modifier concentrations. Modifiers explored in this study included hydrogen peroxide (H(2)O(2)), tert-butyl hydroperoxide, formic acid, and Triton X-100. During sterilization procedure the modifiers were continuously added to SF-CO(2) in either methanol or water at controlled concentrations. The lowest effective concentrations were established for each modifier. Complete elimination of both types of B. pumilus endospores occurred with an optimal modifier addition of either or 10% methanol containing 12% H(2)O(2) or 12% tert-butyl hydroperoxide in SF-CO(2), or a mixture of 6% H(2)O(2) and 6% tert-butyl hydroperoxide. Using water as the carrier of SF-CO(2) modifier, the complete elimination of spores viability of both B. pumilus strains occurred with an addition of either 3.3% water containing 3% H(2)O(2), or 3.3% water containing 10% methanol and 0.5% formic acid, or 3.3% water containing 10% methanol, 1% formic acid and 2% H(2)O(2).

The modified semi-discrete two-dimensional Toda lattice with self-consistent sources

NASA Astrophysics Data System (ADS)

Gegenhasi

2017-07-01

In this paper, we derive the Grammian determinant solutions to the modified semi-discrete two-dimensional Toda lattice equation, and then construct the semi-discrete two-dimensional Toda lattice equation with self-consistent sources via source generation procedure. The algebraic structure of the resulting coupled modified differential-difference equation is clarified by presenting its Grammian determinant solutions and Casorati determinant solutions. As an application of the Grammian determinant and Casorati determinant solution, the explicit one-soliton and two-soliton solution of the modified semi-discrete two-dimensional Toda lattice equation with self-consistent sources are given. We also construct another form of the modified semi-discrete two-dimensional Toda lattice equation with self-consistent sources which is the Bäcklund transformation for the semi-discrete two-dimensional Toda lattice equation with self-consistent sources.

EFFECTS OF PRECURSOR SOLUTION MODIFICATION ON THE CRYSTALLINITY AND ELECTRICAL PROPERTIES OF Na0.5Bi0.5TiO3-BiFeO3 BASED THIN FILM

NASA Astrophysics Data System (ADS)

Sui, Huiting; Yang, Changhong; Wang, Gaoyun; Feng, Chao

2014-07-01

For chemical solution decomposition process, the precursor solution is a basic factor affecting the quality of the deposited-film. In this paper, we choose (l00)-oriented 0.7[(Bi0.95Ce0.05)0.5Na0.5(Ti0.99Fe0.01)O3]-0.3BiFe0.97Mn0.03O3(0.7NBTCeFe-0.3BFOMn) thin films prepared by various precursor solutions for investigation. The roles of precursor solution modification on crystallinity, ferroelectric and dielectric properties are characterized. With the addition of polyethylene glycol into the solution, phase-pure perovskite structure can be obtained. Furthermore, when the volume ratio for the solvents (ethylene glycol to acetic acid) is modified as 2:1, enhanced ferroelectricity can be achieved with a remanent polarization (Pr) of 27.5 μC/cm2, which coincides well with the capacitance-voltage curve with relatively sharp feature. Also, the 0.7NBTCeFe-0.3BFOMn film exhibits a dielectric constant (ɛr) of 576 and dielectric loss (tan δ) of 0.123 at 100 kHz.

Solving satisfiability problems using a novel microarray-based DNA computer.

PubMed

Lin, Che-Hsin; Cheng, Hsiao-Ping; Yang, Chang-Biau; Yang, Chia-Ning

2007-01-01

An algorithm based on a modified sticker model accompanied with an advanced MEMS-based microarray technology is demonstrated to solve SAT problem, which has long served as a benchmark in DNA computing. Unlike conventional DNA computing algorithms needing an initial data pool to cover correct and incorrect answers and further executing a series of separation procedures to destroy the unwanted ones, we built solutions in parts to satisfy one clause in one step, and eventually solve the entire Boolean formula through steps. No time-consuming sample preparation procedures and delicate sample applying equipment were required for the computing process. Moreover, experimental results show the bound DNA sequences can sustain the chemical solutions during computing processes such that the proposed method shall be useful in dealing with large-scale problems.

40 CFR 721.9513 - Modified magnesium silicate polymer (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Modified magnesium silicate polymer... Specific Chemical Substances § 721.9513 Modified magnesium silicate polymer (generic). (a) Chemical... as modified magnesium silicate polymer (PMN P-98-604) is subject to reporting under this section for...

40 CFR 721.9513 - Modified magnesium silicate polymer (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Modified magnesium silicate polymer... Specific Chemical Substances § 721.9513 Modified magnesium silicate polymer (generic). (a) Chemical... as modified magnesium silicate polymer (PMN P-98-604) is subject to reporting under this section for...

40 CFR 721.10504 - Surface modified magnesium hydroxide (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Surface modified magnesium hydroxide... Specific Chemical Substances § 721.10504 Surface modified magnesium hydroxide (generic). (a) Chemical... as surface modified magnesium hydroxide (PMN P-06-682) is subject to reporting under this section for...

40 CFR 721.10504 - Surface modified magnesium hydroxide (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Surface modified magnesium hydroxide... Specific Chemical Substances § 721.10504 Surface modified magnesium hydroxide (generic). (a) Chemical... as surface modified magnesium hydroxide (PMN P-06-682) is subject to reporting under this section for...

40 CFR 721.10119 - Siloxane modified silica nanoparticles (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Siloxane modified silica nanoparticles... Specific Chemical Substances § 721.10119 Siloxane modified silica nanoparticles (generic). (a) Chemical... as siloxane modified silica nanoparticles (PMN P-05-673) is subject to reporting under this section...

40 CFR 721.10119 - Siloxane modified silica nanoparticles (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Siloxane modified silica nanoparticles... Specific Chemical Substances § 721.10119 Siloxane modified silica nanoparticles (generic). (a) Chemical... as siloxane modified silica nanoparticles (PMN P-05-673) is subject to reporting under this section...

40 CFR 721.10119 - Siloxane modified silica nanoparticles (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Siloxane modified silica nanoparticles... Specific Chemical Substances § 721.10119 Siloxane modified silica nanoparticles (generic). (a) Chemical... as siloxane modified silica nanoparticles (PMN P-05-673) is subject to reporting under this section...

40 CFR 721.10119 - Siloxane modified silica nanoparticles (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Siloxane modified silica nanoparticles... Specific Chemical Substances § 721.10119 Siloxane modified silica nanoparticles (generic). (a) Chemical... as siloxane modified silica nanoparticles (PMN P-05-673) is subject to reporting under this section...

40 CFR 721.10119 - Siloxane modified silica nanoparticles (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Siloxane modified silica nanoparticles... Specific Chemical Substances § 721.10119 Siloxane modified silica nanoparticles (generic). (a) Chemical... as siloxane modified silica nanoparticles (PMN P-05-673) is subject to reporting under this section...

40 CFR 721.9513 - Modified magnesium silicate polymer (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Modified magnesium silicate polymer... Specific Chemical Substances § 721.9513 Modified magnesium silicate polymer (generic). (a) Chemical... as modified magnesium silicate polymer (PMN P-98-604) is subject to reporting under this section for...

40 CFR 721.9513 - Modified magnesium silicate polymer (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Modified magnesium silicate polymer... Specific Chemical Substances § 721.9513 Modified magnesium silicate polymer (generic). (a) Chemical... as modified magnesium silicate polymer (PMN P-98-604) is subject to reporting under this section for...

40 CFR 721.9513 - Modified magnesium silicate polymer (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Modified magnesium silicate polymer... Specific Chemical Substances § 721.9513 Modified magnesium silicate polymer (generic). (a) Chemical... as modified magnesium silicate polymer (PMN P-98-604) is subject to reporting under this section for...

40 CFR 721.5908 - Modified phenolic resin (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Modified phenolic resin (generic). 721... Substances § 721.5908 Modified phenolic resin (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as modified phenolic resin (PMN P...

40 CFR 721.5905 - Modified phenolic resin (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Modified phenolic resin (generic). 721... Substances § 721.5905 Modified phenolic resin (generic). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a modified phenolic resin (PMN...

40 CFR 721.2540 - Diphenylmethane diisocyanate (MDI) modified.

Code of Federal Regulations, 2010 CFR

2010-07-01

...) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.2540 Diphenylmethane diisocyanate (MDI) modified. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a...

40 CFR 721.3135 - Phosphorous modified epoxy resin (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Phosphorous modified epoxy resin... Specific Chemical Substances § 721.3135 Phosphorous modified epoxy resin (generic). (a) Chemical substance... phosphorous modified epoxy resin (PMNs P-00-992 and P-01-471) is subject to reporting under this section for...

40 CFR 721.3135 - Phosphorous modified epoxy resin (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Phosphorous modified epoxy resin... Specific Chemical Substances § 721.3135 Phosphorous modified epoxy resin (generic). (a) Chemical substance... phosphorous modified epoxy resin (PMNs P-00-992 and P-01-471) is subject to reporting under this section for...

40 CFR 721.3135 - Phosphorous modified epoxy resin (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Phosphorous modified epoxy resin... Specific Chemical Substances § 721.3135 Phosphorous modified epoxy resin (generic). (a) Chemical substance... phosphorous modified epoxy resin (PMNs P-00-992 and P-01-471) is subject to reporting under this section for...

40 CFR 721.3135 - Phosphorous modified epoxy resin (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Phosphorous modified epoxy resin... Specific Chemical Substances § 721.3135 Phosphorous modified epoxy resin (generic). (a) Chemical substance... phosphorous modified epoxy resin (PMNs P-00-992 and P-01-471) is subject to reporting under this section for...

40 CFR 721.3135 - Phosphorous modified epoxy resin (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Phosphorous modified epoxy resin... Specific Chemical Substances § 721.3135 Phosphorous modified epoxy resin (generic). (a) Chemical substance... phosphorous modified epoxy resin (PMNs P-00-992 and P-01-471) is subject to reporting under this section for...

40 CFR 721.10082 - Amine modified monomer acrylate (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Amine modified monomer acrylate... Specific Chemical Substances § 721.10082 Amine modified monomer acrylate (generic). (a) Chemical substance... amine modified monomer acrylate (PMN P-06-29) is subject to reporting under this section for the...

40 CFR 721.10082 - Amine modified monomer acrylate (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amine modified monomer acrylate... Specific Chemical Substances § 721.10082 Amine modified monomer acrylate (generic). (a) Chemical substance... amine modified monomer acrylate (PMN P-06-29) is subject to reporting under this section for the...

40 CFR 721.3710 - Polyether modified fatty acids (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Polyether modified fatty acids... Specific Chemical Substances § 721.3710 Polyether modified fatty acids (generic). (a) Chemical substance... Polyether modified fatty acids (PMN P-99-0435) is subject to reporting under this section for the...

40 CFR 721.10089 - Modified salicylic acid, zirconium complex (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Modified salicylic acid, zirconium... Specific Chemical Substances § 721.10089 Modified salicylic acid, zirconium complex (generic). (a) Chemical... as modified salicylic acid, zirconium complex (PMN P-00-552) is subject to reporting under this...

40 CFR 721.10089 - Modified salicylic acid, zirconium complex (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Modified salicylic acid, zirconium... Specific Chemical Substances § 721.10089 Modified salicylic acid, zirconium complex (generic). (a) Chemical... as modified salicylic acid, zirconium complex (PMN P-00-552) is subject to reporting under this...

40 CFR 721.4380 - Modified hydrocarbon resin.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Modified hydrocarbon resin. 721.4380... Substances § 721.4380 Modified hydrocarbon resin. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as a modified hydrocarbon resin (P-91-1418) is...

40 CFR 721.3710 - Polyether modified fatty acids (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Polyether modified fatty acids... Specific Chemical Substances § 721.3710 Polyether modified fatty acids (generic). (a) Chemical substance... Polyether modified fatty acids (PMN P-99-0435) is subject to reporting under this section for the...

Computer modeling of the mineralogy of the Martian surface, as modified by aqueous alteration

NASA Technical Reports Server (NTRS)

Zolensky, M. E.; Bourcier, W. L.; Gooding, J. L.

1988-01-01

Mineralogical constraints can be placed on the Martian surface by assuming chemical equilibria among the surface rocks, atmosphere and hypothesized percolating groundwater. A study was made of possible Martian surface mineralogy, as modified by the action of aqueous alteration, using the EQ3/6 computer codes. These codes calculate gas fugacities, aqueous speciation, ionic strength, pH, Eh and concentration and degree of mineral saturation for complex aqueous systems. Thus, these codes are also able to consider mineralogical solid solutions. These codes are able to predict the likely alteration phases which will occur as the result of weathering on the Martian surface. Knowledge of the stability conditions of these phases will then assist in the definition of the specifications for the sample canister of the proposed Martian sample return mission. The model and its results are discussed.

40 CFR 372.20 - Process for modifying covered chemicals and facilities.

Code of Federal Regulations, 2013 CFR

2013-07-01

... chemicals and facilities. 372.20 Section 372.20 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SUPERFUND, EMERGENCY PLANNING, AND COMMUNITY RIGHT-TO-KNOW PROGRAMS TOXIC CHEMICAL RELEASE REPORTING: COMMUNITY RIGHT-TO-KNOW Reporting Requirements § 372.20 Process for modifying covered chemicals...

Modified artificial bee colony for the vehicle routing problems with time windows.

PubMed

Alzaqebah, Malek; Abdullah, Salwani; Jawarneh, Sana

2016-01-01

The natural behaviour of the honeybee has attracted the attention of researchers in recent years and several algorithms have been developed that mimic swarm behaviour to solve optimisation problems. This paper introduces an artificial bee colony (ABC) algorithm for the vehicle routing problem with time windows (VRPTW). A Modified ABC algorithm is proposed to improve the solution quality of the original ABC. The high exploration ability of the ABC slows-down its convergence speed, which may due to the mechanism used by scout bees in replacing abandoned (unimproved) solutions with new ones. In the Modified ABC a list of abandoned solutions is used by the scout bees to memorise the abandoned solutions, then the scout bees select a solution from the list based on roulette wheel selection and replace by a new solution with random routs selected from the best solution. The performance of the Modified ABC is evaluated on Solomon benchmark datasets and compared with the original ABC. The computational results demonstrate that the Modified ABC outperforms the original ABC also produce good solutions when compared with the best-known results in the literature. Computational investigations show that the proposed algorithm is a good and promising approach for the VRPTW.

Modified formulation of CPDA for storage of whole blood, and of SAGM for storage of red blood cells, to maintain the concentration of 2,3-diphosphoglycerate.

PubMed

Kurup, P A; Arun, P; Gayathri, N S; Dhanya, C R; Indu, A R

2003-11-01

A dramatic decrease in the level of 2,3-diphosphoglycerate (2,3-DPG) takes place during the storage of whole blood (WB) in CPDA (citrate-phosphate-dextrose-adenine) and a similar decrease occurs during the storage of red blood cells (RBCs) in SAGM (saline-adenine-glucose-mannitol). The aim of the present study was to prevent this decrease by modifying CPDA and SAGM. The pH of WB anticoagulant or RBC preservative solution was maintained at 7.6 by autoclaving the dextrose solution separately, by incorporating ascorbic acid and nicotinic acid into both CPDA and SAGM (to produce modified CPDA and SAGM solutions), and by reducing the concentration of adenine and adding citrate to the modified SAGM solution. The concentration of 2,3-DPG in WB after 28 days of storage in modified CPDA, and in RBCs stored in modified SAGM, was compared with that in WB or RBCs stored in unmodified solutions. The initial 2,3-DPG levels were maintained after 28 days in the modified formulations [10.63 +/- 2.58 microM/g of haemoglobin (Hb) in the case of modified CPDA and 12.07 +/- 1.47 microM/g of Hb in the case of modified SAGM], whereas in standard CPDA and SAGM solutions, the concentration of 2,3-DPG decreased to very low levels (0.86 +/- 0.97 microM/g Hb for CPDA and 0.12 +/- 0.008 for SAGM). Our modification in the formulation of CPDA or SAGM is effective in arresting the dramatic decrease in the level of 2,3-DPG that occurs during storage of WB and RBCs in unmodified solutions.

Effect of surface chemical composition on the surface potential and iso-electric point of silicon substrates modified with self-assembled monolayers.

PubMed

Kuo, Che-Hung; Chang, Hsun-Yun; Liu, Chi-Ping; Lee, Szu-Hsian; You, Yun-Wen; Shyue, Jing-Jong

2011-03-07

Self-assembled monolayer (SAM)-modified nano-materials are a new technology to deliver drug molecules. While the majority of these depend on covalently immobilizing molecules on the surface, it is proposed that electrostatic interactions may be used to deliver drugs. By tuning the surface potential of solid substrates with SAMs, drug molecules could be either absorbed on or desorbed from substrates through the difference in electrostatic interactions around the selected iso-electric point (IEP). In this work, the surface of silicon substrates was tailored with various ratios of 3-aminopropyltrimethoxysilane (APTMS) and 3-mercaptopropyltrimethoxysilane (MPTMS), which form amine- and thiol-bearing SAMs, respectively. The ratio of the functional groups on the silicon surface was quantified by X-ray photoelectron spectrometry (XPS); in general, the deposition kinetics of APTMS were found to be faster than those of MPTMS. Furthermore, for solutions with high MPTMS concentrations, the relative deposition rate of APTMS increased dramatically due to the acid-base reaction in the solution and subsequent electrostatic interactions between the molecules and the substrate. The zeta potential in aqueous electrolytes was determined with an electro-kinetic analyzer. By depositing SAMs of binary functional groups in varied ratios, the surface potential and IEP of silicon substrates could be fine-tuned. For <50% amine concentration in SAMs, the IEP changed linearly with the chemical composition from <2 to 7.18. For higher amine concentrations, the IEP slowly increased with concentration to 7.94 because the formation of hydrogen-bonding suppressed the subsequent protonation of amines.

Synthesis and characterization of oleic acid surface modified magnetic iron oxide nanoparticles by using biocompatible w/o microemulsion for heavy metal removal

NASA Astrophysics Data System (ADS)

Rose, Laili Che; Suhaimi, Hamdan; Mamat, Mazidah; Lik, Thang Zhe

2017-09-01

Oleic acid modified magnetic iron oxide nanoparticles (OA-MIONs) was prepared for removal of Cu2+ ion from aqueous solution. OA-MIONs was prepared by W/O microemulsion template which composed of mixed non-ionic surfactants and 1-hexanol as emulsifier. The effect of weight ratio of the constituent of microemulsion template on the physical and chemical properties of OA-MIONs was studied by characterization using Fourier transform infrared (FT-IR), scanning electron microscopy (SEM) and X-ray powder diffraction (XRD) analysis. FT-IR spectra showed that all templates shared similar chemical structure with slight difference in the peak intensity. Scanning electron micrograph illustrated that the OA-MIONs synthesized via template with the lowest weight ratio of emulsifier to heptane had a more regular spherical shape and was well-distributed. XRD had confirmed that the identity of synthesized OA-MIONs was Fe3O4. Based on the characterization result, the template with lowest weight ratio of emulsifier to heptane was chosen for the heavy metal adsorption study. The adsorption capacity OA-MIONs as a function of pH, contact time and adsorbent dosage were studied. The adsorption process reached equilibrium for 90 minutes and successfully adsorbed 43% of Cu2+ ion from aqueous solution. The adsorption behavior was well described by Langmuir isotherm. The maximum adsorption capacity was determined and found to be 555.56 mg/g. The value of Langmuir equilibrium parameter, RL was found between 0 and 1, suggested that a favorable monolayer adsorption process had taken out.

Effects of modified atmosphere packing and honey dip treatments on quality maintenance of minimally processed grape cv. Razaki (V. vinifera L.) during cold storage.

PubMed

Sabır, Ali; Sabır, Ferhan K; Kara, Zeki

2011-06-01

Increasing pressure in food conservation sector to replace chemical applications has urged researchers to focus on studying new strategies of extending the postharvest life of produces. In such efforts, numerous materials have been tested for their effectiveness as well as suitability in organic consumption. In this study, effects of modified atmosphere packing (MAP) and honey solution dip on maintenance of quality of minimally processed table grape cv. Razaki were investigated. During the storage at 0 °C with relative humidity of 90%, MAP, honey dip, and their combined applications significantly retarded the weight loss of berries that retained about 2 mm of cap stem. Soluble solid contents of all berries slightly increased, while their acid amounts decreased, resulting in consecutive rises of maturity index. With respect to the sensory score, calculated as mean of ten panelists, honey treatment alone was ranked the highest while control berries had significantly lower value. Overall, MAP, honey solution dip or their combination significantly maintained the general quality of minimally processed grape by delaying quality loss and berry decay. Therefore, honey solution dip yielded promising results to use as an edible organic coating barrier to moisture and resist to water vapor diffusion during the cold storage, offering a good adherence to berry surface.

Nanoparticle solutions as adhesives for gels and biological tissues

NASA Astrophysics Data System (ADS)

Rose, Séverine; Prevoteau, Alexandre; Elzière, Paul; Hourdet, Dominique; Marcellan, Alba; Leibler, Ludwik

2014-01-01

Adhesives are made of polymers because, unlike other materials, polymers ensure good contact between surfaces by covering asperities, and retard the fracture of adhesive joints by dissipating energy under stress. But using polymers to `glue' together polymer gels is difficult, requiring chemical reactions, heating, pH changes, ultraviolet irradiation or an electric field. Here we show that strong, rapid adhesion between two hydrogels can be achieved at room temperature by spreading a droplet of a nanoparticle solution on one gel's surface and then bringing the other gel into contact with it. The method relies on the nanoparticles' ability to adsorb onto polymer gels and to act as connectors between polymer chains, and on the ability of polymer chains to reorganize and dissipate energy under stress when adsorbed onto nanoparticles. We demonstrate this approach by pressing together pieces of hydrogels, for approximately 30 seconds, that have the same or different chemical properties or rigidities, using various solutions of silica nanoparticles, to achieve a strong bond. Furthermore, we show that carbon nanotubes and cellulose nanocrystals that do not bond hydrogels together become adhesive when their surface chemistry is modified. To illustrate the promise of the method for biological tissues, we also glued together two cut pieces of calf's liver using a solution of silica nanoparticles. As a rapid, simple and efficient way to assemble gels or tissues, this method is desirable for many emerging technological and medical applications such as microfluidics, actuation, tissue engineering and surgery.

Biological resistance of polyethylene composites made with chemically modified fiber or flour

Treesearch

Rebecca E. Ibach; Craig M. Clemons

2002-01-01

The role of moisture in the biological decay of wood-plastic composites was investigated. Southern pine wood fiber and ponderosa pine wood flour were chemically modified using either acetic anhydride (AA), butylene oxide (BO), or propylene oxide (PO). A 50:50 mixture of high density polyethylene and either chemically modified fiber or flour, or untreated fiber or flour...

Artificial specific binders directly recovered from chemically modified nucleic acid libraries.

PubMed

Kasahara, Yuuya; Kuwahara, Masayasu

2012-01-01

Specific binders comprised of nucleic acids, that is, RNA/DNA aptamers, are attractive functional biopolymers owing to their potential broad application in medicine, food hygiene, environmental analysis, and biological research. Despite the large number of reports on selection of natural DNA/RNA aptamers, there are not many examples of direct screening of chemically modified nucleic acid aptamers. This is because of (i) the inferior efficiency and accuracy of polymerase reactions involving transcription/reverse-transcription of modified nucleotides compared with those of natural nucleotides, (ii) technical difficulties and additional time and effort required when using modified nucleic acid libraries, and (iii) ambiguous efficacies of chemical modifications in binding properties until recently; in contrast, the effects of chemical modifications on biostability are well studied using various nucleotide analogs. Although reports on the direct screening of a modified nucleic acid library remain in the minority, chemical modifications would be essential when further functional expansion of nucleic acid aptamers, in particular for medical and biological uses, is considered. This paper focuses on enzymatic production of chemically modified nucleic acids and their application to random screenings. In addition, recent advances and possible future research are also described.

Novel Swelling-Resistant Sodium Alginate Membrane Branching Modified by Glycogen for Highly Aqueous Ethanol Solution Pervaporation.

PubMed

Ji, Chen-Hao; Xue, Shuang-Mei; Xu, Zhen-Liang

2016-10-12

A novel carbohydrate chain cross-linking method of sodium alginate (SA) is proposed in which glycogen with the branched-chain structure is utilized to cross-link with SA matrix by the bridging of glutaraldehyde (GA). The active layer of SA composite ceramic membrane modified by glycogen and GA for pervaporation (PV) demonstrates great advantages. The branched structure increases the chain density of the active layer, which compresses the free volume between the carbohydrate chains of SA. Large amounts of hydroxyl groups are consumed during the reaction with GA, which reduces the hydrogen bond formation between water molecules and the polysaccharide matrix. The two factors benefit the active layer with great improvement in swelling resistance, promoting the potential of the active layer for the dehydration of an ethanol-water solution containing high water content. Meanwhile, the modified active layer is loaded on the rigid α-Al 2 O 3 ceramic membrane by dip-coating method with the enhancement of anti-deformation and controllable thickness of the active layer. Characterization techniques such as SEM, AFM, XRD, FTIR, XPS, and water contact angle are utilized to observe the composite structure and surface morphology of the composite membrane, to probe the free volume variation, and to determine the chemical composition and hydrophilicity difference of the active layer caused by the different glycogen additive amounts. The membrane containing 3% glycogen in the selective layer demonstrates the flux at 1250 g m -2 h -1 coupled with the separation factor of 187 in the 25 wt % water content feed solution at the operating temperature of 75 °C, reflecting superior pervaporation processing capacity compared with the general organic PV membranes in the same condition.

General Relativity solutions in modified gravity

NASA Astrophysics Data System (ADS)

Motohashi, Hayato; Minamitsuji, Masato

2018-06-01

Recent gravitational wave observations of binary black hole mergers and a binary neutron star merger by LIGO and Virgo Collaborations associated with its optical counterpart constrain deviation from General Relativity (GR) both on strong-field regime and cosmological scales with high accuracy, and further strong constraints are expected by near-future observations. Thus, it is important to identify theories of modified gravity that intrinsically possess the same solutions as in GR among a huge number of theories. We clarify the three conditions for theories of modified gravity to allow GR solutions, i.e., solutions with the metric satisfying the Einstein equations in GR and the constant profile of the scalar fields. Our analysis is quite general, as it applies a wide class of single-/multi-field scalar-tensor theories of modified gravity in the presence of matter component, and any spacetime geometry including cosmological background as well as spacetime around black hole and neutron star, for the latter of which these conditions provide a necessary condition for no-hair theorem. The three conditions will be useful for further constraints on modified gravity theories as they classify general theories of modified gravity into three classes, each of which possesses i) unique GR solutions (i.e., no-hair cases), ii) only hairy solutions (except the cases that GR solutions are realized by cancellation between singular coupling functions in the Euler-Lagrange equations), and iii) both GR and hairy solutions, for the last of which one of the two solutions may be selected dynamically.

Removal of pharmaceutical pollutants from synthetic wastewater using chemically modified biomass of green alga Scenedesmus obliquus.

PubMed

Ali, Mohamed E M; Abd El-Aty, Azza M; Badawy, Mohamed I; Ali, Rizka K

2018-04-30

Pharmaceutical compounds are considered emerging environmental pollutants that have a potential harmful impact on environment and human health. In this study, the biomass of alga (Scenedesmus obliquus) was modified using alkaline solution, and used for the biosorption of tramadol (TRAM) and other pharmaceuticals. The adsorption kinetics and isotherms were investigated. The obtained results reveal high adsorption capacity of tramadol over modified algal biomass (MAB) after 45min with removal percentage of 91%. Pseudo-second order model was well fitted with the experimental data with correlation coefficient (0.999). Biosorption of tramadol on modified algal biomass proceeds with Freundlich isotherm model with correlation coefficient (0.942) that emphasized uptake of TRAM by MAB is driven by chemisorption. FTIR spectra of MAB before and after the adsorption were analyzed; some IR bands were detected with slight shift and low intensity suggesting their involving in adsorption. The tramadol biosorption by MAB is a chemical process as confirmed by Dubinin-Radushkevich. The adsorption of pharmaceutical over MAB is mainly preceded by hydrophilic interactions between amino and carbonyl groups in pharmaceutical molecules and hydroxyl and carbonyl functional groups on surface of biosorbent. It was emphasized by disappearance O-H and C-O from biomass IR spectra after adsorption. In matrix of pharmaceutical, the recorded adsorption capacities for CEFA, PARA, IBU, TRAM and CIP are 68, 58, 42, 42 and 39mg/g over MAB at natural pH and MAB dose of 0.5g/L. Furthermore, oxygen uptake by bacteria was applied for estimate the toxicity of pharmaceutical. The recorded result concluded the efficient reusability of modified algal biomass for biosorption of pharmaceuticals, as well only the adsorption efficiency decreased by 4.5% after three runs. Subsequently, the modified algal biomass is a promising reusable adsorbent for decontamination of wastewater from pharmaceuticals. Copyright © 2018 Elsevier Inc. All rights reserved.

Acid-base equilibria inside amine-functionalized mesoporous silica.

PubMed

Yamaguchi, Akira; Namekawa, Manato; Kamijo, Toshio; Itoh, Tetsuji; Teramae, Norio

2011-04-15

Acid-base equilibria and effective proton concentration inside a silica mesopore modified with a trimethyl ammonium (TMAP) layer were studied by steady-state fluorescence experiments. The mesoporous silica with a dense TMAP layer (1.4 molecules/nm(2)) was prepared by a post grafting of N-trimethoxysilylpropyl-N,N,N-trimethylammonium at surfactant-templated mesoporous silica (diameter of silica framework =3.1 nm). The resulting TMAP-modified mesoporous silica strongly adsorbed of anionic fluorescence indicator dyes (8-hydroxypyrene-1,3,6-trisulfonate (pyranine), 8-aminopyrene-1,3,6-trisulfonate (APTS), 5,10,15,20-tetraphenyl-21H,23H-porphinetetrasulfonic acid disulfuric acid (TPPS), 2-naphthol-3,6-disulfonate (2NT)) and fluorescence excitation spectra of these dyes within TMAP-modified mesoporous silica were measured by varying the solution pH. The fluorescence experiments revealed that the acid-base equilibrium reactions of all pH indicator dyes within the TMAP-modified silica mesopore were quite different from those in bulk water. From the analysis of the acid-base equilibrium of pyranine, the following relationships between solution pH (pH(bulk)) and the effective proton concentration inside the pore (pH(pore)) were obtained: (1) shift of pH(pore) was 1.8 (ΔpH(pore)=1.8) for the pH(bulk) change from 2.1 to 9.1 (ΔpH(bulk)=7.0); (2) pH(pore) was not simply proportional to pH(bulk); (3) the inside of the TMAP-modified silica mesopore was suggested to be in a weak acidic or neutral condition when pH(bulk) was changed from 2.0 to 9.1. Since these relationships between pH(bulk) and pH(pore) could explain the acid-base equilibria of other pH indicator dyes (APTS, TPPS, 2NT), these relationships were inferred to describe the effective proton concentration inside the TMAP-modified silica mesopore. © 2011 American Chemical Society

40 CFR 721.10044 - Metal oxide, modified with alkyl and vinyl terminated polysiloxanes (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Metal oxide, modified with alkyl and... SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10044 Metal oxide, modified with alkyl... to reporting. (1) The chemical substance identified generically as metal oxide, modified with alkyl...

40 CFR 721.8658 - Modified polymer of vinyl acetate and quaternary ammonium compound (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Modified polymer of vinyl acetate and... Significant New Uses for Specific Chemical Substances § 721.8658 Modified polymer of vinyl acetate and.... (1) The chemical substance identified generically as modified polymer of vinyl acetate and quaternary...

40 CFR 721.8658 - Modified polymer of vinyl acetate and quaternary ammonium compound (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Modified polymer of vinyl acetate and... Significant New Uses for Specific Chemical Substances § 721.8658 Modified polymer of vinyl acetate and.... (1) The chemical substance identified generically as modified polymer of vinyl acetate and quaternary...

40 CFR 721.8658 - Modified polymer of vinyl acetate and quaternary ammonium compound (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Modified polymer of vinyl acetate and... Significant New Uses for Specific Chemical Substances § 721.8658 Modified polymer of vinyl acetate and.... (1) The chemical substance identified generically as modified polymer of vinyl acetate and quaternary...

40 CFR 721.8658 - Modified polymer of vinyl acetate and quaternary ammonium compound (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Modified polymer of vinyl acetate and... Significant New Uses for Specific Chemical Substances § 721.8658 Modified polymer of vinyl acetate and.... (1) The chemical substance identified generically as modified polymer of vinyl acetate and quaternary...

40 CFR 721.8658 - Modified polymer of vinyl acetate and quaternary ammonium compound (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Modified polymer of vinyl acetate and... Significant New Uses for Specific Chemical Substances § 721.8658 Modified polymer of vinyl acetate and.... (1) The chemical substance identified generically as modified polymer of vinyl acetate and quaternary...

The removal of chloramphenicol from water through adsorption on activated carbon

NASA Astrophysics Data System (ADS)

Lach, Joanna; Ociepa-Kubicka, Agnieszka

2017-10-01

The presented research investigated the removal of chloramphenicol from water solutions on selected activated carbon available in three grades with different porous structure and surface chemical composition. Two models of adsorption kinetics were examined, i.e. the pseudo-first order and the pseudo-second order models. For all examined cases, the results of tests with higher value of coefficient R2 were described by the equation for pseudo-second order kinetics. The adsorption kinetics was also investigated on the activated carbons modified with ozone. The measurements were taken from the solutions with pH values of 2 and 7. Chloramphenicol was the most efficiently adsorbed on the activated carbon F-300 from the solutions with pH=7, and on the activated carbon ROW 08 Supra from the solutions with pH=2. The adsorption of this antibiotic was in the majority of cases higher from the solutions with pH=2 than pH=7. The modification of the activated carbons with ozone enhanced their adsorption capacities for chloramphenicol. The adsorption is influenced by the modification method of activated carbon (i.e. the duration of ozonation of the activated carbon solution and the solution temperature). The results were described with the Freundlich and Langmuir adsorption isotherm equations. Both models well described the obtained results (high R2 values).

Recent innovations in edible and/or biodegradable packaging materials.

PubMed

Guilbert, S; Cuq, B; Gontard, N

1997-01-01

Certain newly discovered characteristics of natural biopolymers should make them a choice material to be used for different types of wrappings and films. Edible and/or biodegradable packagings produced from agricultural origin macromolecules provide a supplementary and sometimes essential means to control physiological, microbiological, and physicochemical changes in food products. This is accomplished (i) by controlling mass transfers between food product and ambient atmosphere or between components in heterogeneous food product, and (iii) by modifying and controlling food surface conditions (pH, level of specific functional agents, slow release of flavour compounds), it should be stressed that the material characteristics (polysaccharide, protein, or lipid, plasticized or not, chemically modified or not, used alone or in combination) and the fabrication procedures (casting of a film-forming solution, thermoforming) must be adapted to each specific food product and usage condition (relative humidity, temperature). Some potential uses of these materials (e.g. wrapping of various fabricated foods; protection of fruits and vegetables by control of maturation; protection of meat and fish; control of internal moisture transfer in pizzas), which are hinged on film properties (e.g. organoleptic, mechanical, gas and solute barrier) are described with examples.

Experimental Study on Modification of Concrete with Asphalt Admixture

NASA Astrophysics Data System (ADS)

Bołtryk, Michał; Małaszkiewicz, Dorota; Pawluczuk, Edyta

2017-10-01

Durability of engineering structures made of cement concrete with high compressive strength is a very vital issue, especially when they are exposed to different aggressive environments and dynamic loads. Concrete resistance to weathering actions and chemical attack can be improved by combined chemical and mechanical modification of concrete microstructure. Asphalt admixture in the form of asphalt paste (AP) was used for chemical modification of cement composite microstructure. Concrete structure was formed using special technology of compaction. A stand for vibro-vibropressing with regulated vibrator force and pressing force was developed. The following properties of the modified concrete were tested: compressive strength, water absorption, freeze-thaw resistance, scaling resistance in the presence of de-icing agents, chloride migration, resistance to CO2 and corrosion in aggressive solutions. Corrosion resistance was tested alternately in 1.8% solutions of NH4Cl, MgSO4, (NH2)2CO and CaCl2, which were altered every 7 days; the experiment lasted 9.5 months. Optimum compaction parameters in semi-industrial conditions were determined: ratio between piston stress (Qp ) and external top vibrator force (Po ) in the range 0.4÷-0.5 external top vibrator force 4 kN. High strength concretes with compressive strength fcm = 60÷70 MPa, very low water absorption (<1%) and high resistance to aggressive environments were obtained in this study. AP content was reduced from 10% (previous investigations) to 2-4% of cement mass thanks to the special compaction method. Excellent chloride ion penetration resistance and carbonation resistance of concrete containing AP admixture is due to the asphalt barrier formed in pores of cement hydrates against dioxide and chloride ions. Concrete specimens containing AP 4% c.m. and consolidated by vibro-vibropressing method proved to be practically resistant to highly corrosive environment. Vibro-vibropressing compaction technology of concrete modified with AP can be applied in prefabrication plants to produce elements for road, bridge and hydraulic engineering constructions.

Topography and nanostructural evaluation of chemically and thermally modified titanium substrates.

PubMed

Salemi, Hoda; Behnamghader, Aliasghar; Afshar, Abdollah

2016-10-01

In this research, the effects of chemical and thermal treatment on the morphological and compositional aspects of titanium substrates and so, potentially, on development of biomimetic bone like layers formation during simulated body fluid (SBF) soaking was investigated. The HF, HF/HNO3 and NaOH solutions were used for chemical treatment and some of alkali-treated samples followed a heat treatment at 600°C. The treated samples before and after soaking were subjected to material characterization tests using scanning electron microscopy (SEM), X-ray diffraction (XRD) and atomic force microscopy (AFM). White light interferometry (WLI) was used to determine the roughness parameters such as Ra, Rq, RKu and Rsk. The significance of the obtained data was assessed using ANOVA variance analysis between all samples. It was observed that the reaction at grain boundaries and sodium titanate intermediate layers play a great role in the nucleation of calcium phosphate layers. Based on the obtained results in this work, the calcium phosphate microstructure deposited on titanium substrates was more affected by chemical modification than surface topography.

ChemBrowser: a flexible framework for mining chemical documents.

PubMed

Wu, Xian; Zhang, Li; Chen, Ying; Rhodes, James; Griffin, Thomas D; Boyer, Stephen K; Alba, Alfredo; Cai, Keke

2010-01-01

The ability to extract chemical and biological entities and relations from text documents automatically has great value to biochemical research and development activities. The growing maturity of text mining and artificial intelligence technologies shows promise in enabling such automatic chemical entity extraction capabilities (called "Chemical Annotation" in this paper). Many techniques have been reported in the literature, ranging from dictionary and rule-based techniques to machine learning approaches. In practice, we found that no single technique works well in all cases. A combinatorial approach that allows one to quickly compose different annotation techniques together for a given situation is most effective. In this paper, we describe the key challenges we face in real-world chemical annotation scenarios. We then present a solution called ChemBrowser which has a flexible framework for chemical annotation. ChemBrowser includes a suite of customizable processing units that might be utilized in a chemical annotator, a high-level language that describes the composition of various processing units that would form a chemical annotator, and an execution engine that translates the composition language to an actual annotator that can generate annotation results for a given set of documents. We demonstrate the impact of this approach by tailoring an annotator for extracting chemical names from patent documents and show how this annotator can be easily modified with simple configuration alone.

The effect on biological and moisture resistance of epichlorohydrin chemically modified wood

Treesearch

Rebecca E. Ibach; Beom-Goo Lee

2002-01-01

Southern pine solid wood and fiber were chemically modified with epichlorohydrin to help in understanding the role of moisture in the mechanism of biological effectiveness of chemically modified wood. The solid wood had weight gains from 11% to 34%, while the fiber had weight gains from 9% to 75%. After modification, part of the specimens were water leached for 2 weeks...

Resonance assignment of the NMR spectra of disordered proteins using a multi-objective non-dominated sorting genetic algorithm.

PubMed

Yang, Yu; Fritzsching, Keith J; Hong, Mei

2013-11-01

A multi-objective genetic algorithm is introduced to predict the assignment of protein solid-state NMR (SSNMR) spectra with partial resonance overlap and missing peaks due to broad linewidths, molecular motion, and low sensitivity. This non-dominated sorting genetic algorithm II (NSGA-II) aims to identify all possible assignments that are consistent with the spectra and to compare the relative merit of these assignments. Our approach is modeled after the recently introduced Monte-Carlo simulated-annealing (MC/SA) protocol, with the key difference that NSGA-II simultaneously optimizes multiple assignment objectives instead of searching for possible assignments based on a single composite score. The multiple objectives include maximizing the number of consistently assigned peaks between multiple spectra ("good connections"), maximizing the number of used peaks, minimizing the number of inconsistently assigned peaks between spectra ("bad connections"), and minimizing the number of assigned peaks that have no matching peaks in the other spectra ("edges"). Using six SSNMR protein chemical shift datasets with varying levels of imperfection that was introduced by peak deletion, random chemical shift changes, and manual peak picking of spectra with moderately broad linewidths, we show that the NSGA-II algorithm produces a large number of valid and good assignments rapidly. For high-quality chemical shift peak lists, NSGA-II and MC/SA perform similarly well. However, when the peak lists contain many missing peaks that are uncorrelated between different spectra and have chemical shift deviations between spectra, the modified NSGA-II produces a larger number of valid solutions than MC/SA, and is more effective at distinguishing good from mediocre assignments by avoiding the hazard of suboptimal weighting factors for the various objectives. These two advantages, namely diversity and better evaluation, lead to a higher probability of predicting the correct assignment for a larger number of residues. On the other hand, when there are multiple equally good assignments that are significantly different from each other, the modified NSGA-II is less efficient than MC/SA in finding all the solutions. This problem is solved by a combined NSGA-II/MC algorithm, which appears to have the advantages of both NSGA-II and MC/SA. This combination algorithm is robust for the three most difficult chemical shift datasets examined here and is expected to give the highest-quality de novo assignment of challenging protein NMR spectra.

Ion implantation modified stainless steel as a substrate for hydroxyapatite deposition. Part II. Biomimetic layer growth and characterization.

PubMed

Pramatarova, L; Pecheva, E; Krastev, V

2007-03-01

The interest in stainless steel as a material widely used in medicine and dentistry has stimulated extensive studies on improving its bone-bonding properties. AISI 316 stainless steel is modified by a sequential ion implantation of Ca and P ions (the basic ions of hydroxyapatite), and by Ca and P implantation and subsequent thermal treatment in air (600( composite function)C, 1 h). This paper investigates the ability of the as-modified surfaces to induce hydroxyapatite deposition by using a biomimetic approach, i.e. immersion in a supersaturated aqueous solution resembling the human blood plasma (the so-called simulated body fluid). We describe our experimental procedure and results, and discuss the physico-chemical properties of the deposed hydroxyapatite on the modified stainless steel surfaces. It is shown that the implantation of a selected combination of ions followed by the applied methodology of the sample soaking in the simulated body fluid yield the growth of hydroxyapatite layers with composition and structure resembling those of the bone apatite. The grown layers are found suitable for studying the process of mineral formation in nature (biomineralization).

siRNAmod: A database of experimentally validated chemically modified siRNAs.

PubMed

Dar, Showkat Ahmad; Thakur, Anamika; Qureshi, Abid; Kumar, Manoj

2016-01-28

Small interfering RNA (siRNA) technology has vast potential for functional genomics and development of therapeutics. However, it faces many obstacles predominantly instability of siRNAs due to nuclease digestion and subsequently biologically short half-life. Chemical modifications in siRNAs provide means to overcome these shortcomings and improve their stability and potency. Despite enormous utility bioinformatics resource of these chemically modified siRNAs (cm-siRNAs) is lacking. Therefore, we have developed siRNAmod, a specialized databank for chemically modified siRNAs. Currently, our repository contains a total of 4894 chemically modified-siRNA sequences, comprising 128 unique chemical modifications on different positions with various permutations and combinations. It incorporates important information on siRNA sequence, chemical modification, their number and respective position, structure, simplified molecular input line entry system canonical (SMILES), efficacy of modified siRNA, target gene, cell line, experimental methods, reference etc. It is developed and hosted using Linux Apache MySQL PHP (LAMP) software bundle. Standard user-friendly browse, search facility and analysis tools are also integrated. It would assist in understanding the effect of chemical modifications and further development of stable and efficacious siRNAs for research as well as therapeutics. siRNAmod is freely available at: http://crdd.osdd.net/servers/sirnamod.

Micro energy-dispersive X-ray fluoresence mapping of enamel and dental materials after chemical erosion.

PubMed

Soares, Luís Eduardo Silva; de Oliveira, Rodrigo; Nahórny, Sídnei; Santo, Ana Maria do Espírito; Martin, Airton Abrahão

2012-10-01

Energy-dispersive X-ray fluorescence was employed to test the hypothesis that beverage consumption or mouthwash utilization will change the chemical properties of dental materials and enamel mineral content. Bovine enamel samples (n = 45) each received two cavity preparations (n = 90), each pair filled with one of three dental materials (R: nanofilled composite resin; GIC: glass-ionomer cement; RMGIC: resin-modified GIC). Furthermore, they were treated with three different solutions (S: saliva; E: erosion/Pepsi Twist®; or EM: erosion+mouthwash/Colgate Plax®). It was found that mineral loss in enamel was greater in GICE samples than in RE > RMGICE > RMGICEM > REM > GICEM. An increased percentage of Zr was found in REM indicating organic matrix degradation. Dental materials tested (R, GIC, and RMGIC) were not able to protect adjacent enamel from acid erosion by the soft drink tested. The use of mouthwash promoted protection of enamel after erosion by the soft drink. To avoid chemical dissolution by mouthwashes, protection by resin composites with surface sealants is recommended.

21 CFR 864.1850 - Dye and chemical solution stains.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Dye and chemical solution stains. 864.1850 Section... (CONTINUED) MEDICAL DEVICES HEMATOLOGY AND PATHOLOGY DEVICES Biological Stains § 864.1850 Dye and chemical solution stains. (a) Identification. Dye and chemical solution stains for medical purposes are mixtures of...

21 CFR 864.1850 - Dye and chemical solution stains.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Dye and chemical solution stains. 864.1850 Section... (CONTINUED) MEDICAL DEVICES HEMATOLOGY AND PATHOLOGY DEVICES Biological Stains § 864.1850 Dye and chemical solution stains. (a) Identification. Dye and chemical solution stains for medical purposes are mixtures of...

21 CFR 864.1850 - Dye and chemical solution stains.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Dye and chemical solution stains. 864.1850 Section... (CONTINUED) MEDICAL DEVICES HEMATOLOGY AND PATHOLOGY DEVICES Biological Stains § 864.1850 Dye and chemical solution stains. (a) Identification. Dye and chemical solution stains for medical purposes are mixtures of...

21 CFR 864.1850 - Dye and chemical solution stains.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Dye and chemical solution stains. 864.1850 Section... (CONTINUED) MEDICAL DEVICES HEMATOLOGY AND PATHOLOGY DEVICES Biological Stains § 864.1850 Dye and chemical solution stains. (a) Identification. Dye and chemical solution stains for medical purposes are mixtures of...

21 CFR 864.1850 - Dye and chemical solution stains.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Dye and chemical solution stains. 864.1850 Section... (CONTINUED) MEDICAL DEVICES HEMATOLOGY AND PATHOLOGY DEVICES Biological Stains § 864.1850 Dye and chemical solution stains. (a) Identification. Dye and chemical solution stains for medical purposes are mixtures of...

Gaps in aquatic toxicological studies of microplastics.

PubMed

Karami, Ali

2017-10-01

The contamination of aquatic environments with microplastics (MPs) has spurred an unprecedented interest among scientific communities to investigate their impacts on biota. Despite the rapid growth in the number of studies on the aquatic toxicology of MPs, controversy over the fate and biological impacts of MPs is increasingly growing mainly due to the absence of standardized laboratory bioassays. Given the complex features of MPs, such as the diversity of constituent polymers, additives, shapes and sizes, as well as continuous changes in the particle buoyancy as a result of fouling and defouling processes, it is necessary to modify conventional bioassay protocols before employing them for MP toxicity testings. Moreover, several considerations including quantification of chemicals on/in the MP particles, choice of test organisms, approaches for renewing the test solution, aggregation prevention, stock solution preparation, and units used to report MP concentration in the test solution should be taken into account. This critical review suggests some important strategies to help conduct environmentally-relevant MP bioassays. Copyright © 2017 Elsevier Ltd. All rights reserved.

Cr(OH)3-NPs-CNC hybrid nanocomposite: a sorbent for adsorptive removal of methylene blue and malachite green from solutions.

PubMed

Nekouei, Farzin; Nekouei, Shahram; Keshtpour, Farzaneh; Noorizadeh, Hossein; Wang, Shaobin

2017-11-01

In this article, Cr(OH) 3 nanoparticle-modified cellulose nanocrystal (CNC) as a novel hybrid nanocomposite (Cr(OH) 3 -NPs-CNC) was prepared by a simple procedure and used as a sorbent for adsorptive removal of methylene blue (MB) and malachite green (MG) from aqueous solution. Different kinetic models were tested, and the pseudo-second-order kinetic model was found more suitable for the MB and MG adsorption processes. The BET and Langmuir models were more suitable for the adsorption processes of MB and MG. Thermodynamic studies suggested that the adsorption of MB and MG onto Cr(OH) 3 -NPs-CNC nanocomposite was a spontaneous and endothermic process. The maximum adsorption capacities for MB and MG were reached 106 and 104 mg/g, respectively, which were almost two times higher than unmodified CNC. The chemical stability and leaching tests of the Cr(OH) 3 -NPs-CNC hybrid nanocomposite showed that only small amounts of chromium were leached into the solution.

Modifying protein adsorption by layers of glutathione pre-adsorbed on Au(111)

NASA Astrophysics Data System (ADS)

Vallée, Anne; Humblot, Vincent; Méthivier, Christophe; Dumas, Paul; Pradier, Claire-Marie

2011-12-01

Molecular interaction with metal surfaces raises fundamental questions regarding their binding tendency, their dispersion on the surface, as well as their conformation which may change their biological properties; addressing these questions, and being able to tune protein interactions, is of primary importance for the control of biointerfaces. In this study, one tripeptide, GSH (glu-cys-gly), was used to condition gold surfaces and thus influence the adsorption of bovine serum albumin (BSA). Depending on the pH value of the GSH solution, cationic, zwitterionic or anionic forms of the tripeptide could be stabilised on the surface, before interacting with BSA solutions. The amount of proteins was observed to depend both on the chemical state of the adsorbed underlying peptide and on the solvent of the protein solution, indicating an important role of electrostatic interactions upon protein adsorption. Moreover, atomic force microscopy (AFM), and synchrotron IR microscopy revealed a heterogeneous distribution of proteins on the GSH layer.

[Physical and chemical stability of fortified ophtalmic ready-to-use solutions: review of literature].

PubMed

Sourdeau, P; Evrard, J-M; Remy, G; Hecq, J-D

2012-03-01

Ophtalmic infections and inflammations are often encountered during hospitalization. They require the preparation of "fortified" ophtalmic solutions, i.e. pharmaceutical ophtalmic solutions which are hyperconcentrated in active substance. The data of physicochemical stabilities are modified and it is therefore essential to gather the results of the various publications devoted to this subject. In 2006, an initial literature review was undertaken to identify the molecules mostly used in the preparation of fortified ophtalmic solutions in hospital. A second review of the literature in 2010 has enriched the knowledge about it. Two new drugs have entered the summary table: amikacin and ticarcillin disodium. Date on 12 molecules already known in 2006 were updated to improve clinical practices. A review of the literature was undertaken in order to collect the results of the molecules mostly used for the preparation of the fortified ophtalmic solutions in hospitals. A summary table, indicating the active substance, its concentration, the assay method, the storage temperature and physicochemical modifications, presents all the results. This review of literature makes it possible to match stability and validity period to these preparations. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

Indirect consequences of exciplex states on the phosphorescence lifetime of phenazine-based 1,2,3-triazole luminescent probes.

PubMed

Costa, Bárbara B A; Jardim, Guilherme A M; Santos, Paloma L; Calado, Hállen D R; Monkman, Andrew P; Dias, Fernando B; da Silva Júnior, Eufrânio N; Cury, Luiz A

2017-02-01

The optical properties of phenazine derivative probe solutions involving intersystem crossing from singlet to triplet states were investigated by time resolved spectroscopy. The room temperature phosphorescence emission presented different time responses when Cd 2+ ions were bound to the probe chemical structure. The complex exciplex formation observed to occur in this case was not directly responsible for the change in the phosphorescence lifetime. This was more influenced by the new molecular conformation and modified spin-orbit coupling imposed by the binding of the Cd 2+ ions to the phenazine molecules.

Catalyst free growth of CNTs by CVD on nanoscale rough surfaces of silicon substrates

NASA Astrophysics Data System (ADS)

Damodar, D.; Sahoo, R. K.; Jacob, C.

2013-06-01

Catalyst free growth of carbon nanotubes (CNT) has been achieved using atmospheric pressure chemical vapor deposition (APCVD) on surface modified Si(111) substrates. The effect of the substrate surface has been observed by partially etching with KOH (potassium hydroxide) solution which is an anisotropic etchant. Scanning electron microscopy (SEM) confirmed the formation of CNTs over most of the area of the substrate where substrates were anisotropically etched. Transmission electron microscopy (TEM) was used to observe the internal structure of the CNTs. Raman spectroscopy further confirmed the formation of the carbon nanostructures and also their graphitic crystallinity.

Chemical Sensing Sensitivity of Long-Period Grating Sensor Enhanced by Colloidal Gold Nanoparticles

PubMed Central

Tang, Jaw-Luen; Wang, Jien-Neng

2008-01-01

A simple and effective method is proposed to improve spectral sensitivity and detection limit of long period gratings for refractive index or chemical sensing, where the grating surface is modified by a monolayer of colloidal gold nanoparticles. The transmission spectra and optical properties of gold nanospheres vary with the different refractive index of the environment near the surface of gold nanospheres. The sensor response of gold colloids increases linearly with solvents of increasing refractive index. The results for the measurement of sucrose and sodium chloride solutions are reported, which show that this type of sensor can provide a limiting resolution of ∼10-3 to ∼10-4 for refractive indices in the range of 1.34 to 1.39 and a noticeable increase in detection limit of refractive index to external medium. PMID:27879701

A Numerical Analysis of the Transient Response of an Ablation System Including Effects of Thermal Nonequilibrium, Mass Transfer and Chemical Kinetics. Ph.D Thesis - Virginia Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Clark, R. K.

1972-01-01

The differential equations governing the transient response of a one-dimensional ablative thermal protection system undergoing stagnation ablation are derived. These equations are for thermal nonequilibrium effects between the pyrolysis gases and the char layer and kinetically controlled chemical reactions and mass transfer between the pyrolysis gases and the char layer. The boundary conditions are written for the particular case of stagnation heating with surface removal by oxidation or sublimation and pyrolysis of the uncharred layer occurring in a plane. The governing equations and boundary conditions are solved numerically using the modified implicit method (Crank-Nicolson method). Numerical results are compared with exact solutions for a number of simplified cases. The comparison is favorable in each instance.

In-situ spectroscopic investigations of the redox behavior of poly(indole-5-carboxylic-acid) modified electrodes in acidic aqueous solutions.

PubMed

Talbi, H; Billaud, D; Louarn, G; Pron, A

2001-03-01

The oxidation of electrochemically grown poly(indole-5-carboxylic-acid) (P5CO2H) and its spectroscopic properties have been studied by in-situ spectroelectrochemical techniques. The purpose of this paper is to characterize the different modifications on the P5CO2H backbone, induced by the electrochemical oxidation in aqueous acidic solution. We have identified, on the basis of Raman spectra, the vibrational modes associated with neutral and oxidized segments of polymer. It was shown that at least three chemically and optically different species (perhaps other products too) are produced in different potential regimes upon oxidation of this polymer. The results obtained also indicate that the molecular properties of this conducting polymer are better revealed by in-situ resonant spectra than by ex-situ infrared and Raman studies.

40 CFR 721.10151 - Modified styrene, divinylbenzene polymer (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... polymer (generic). 721.10151 Section 721.10151 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10151 Modified styrene, divinylbenzene polymer (generic). (a) Chemical... as modified styrene, divinylbenzene polymer (PMN P-07-642) is subject to reporting under this section...

40 CFR 721.10151 - Modified styrene, divinylbenzene polymer (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... polymer (generic). 721.10151 Section 721.10151 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10151 Modified styrene, divinylbenzene polymer (generic). (a) Chemical... as modified styrene, divinylbenzene polymer (PMN P-07-642) is subject to reporting under this section...

40 CFR 721.10120 - Siloxane modified alumina nanoparticles (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... nanoparticles (generic). 721.10120 Section 721.10120 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10120 Siloxane modified alumina nanoparticles (generic). (a) Chemical... as siloxane modified alumina nanoparticles (PMN P-05-687) is subject to reporting under this section...

40 CFR 721.10120 - Siloxane modified alumina nanoparticles (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... nanoparticles (generic). 721.10120 Section 721.10120 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10120 Siloxane modified alumina nanoparticles (generic). (a) Chemical... as siloxane modified alumina nanoparticles (PMN P-05-687) is subject to reporting under this section...

40 CFR 721.10120 - Siloxane modified alumina nanoparticles (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... nanoparticles (generic). 721.10120 Section 721.10120 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10120 Siloxane modified alumina nanoparticles (generic). (a) Chemical... as siloxane modified alumina nanoparticles (PMN P-05-687) is subject to reporting under this section...

40 CFR 721.10120 - Siloxane modified alumina nanoparticles (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... nanoparticles (generic). 721.10120 Section 721.10120 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10120 Siloxane modified alumina nanoparticles (generic). (a) Chemical... as siloxane modified alumina nanoparticles (PMN P-05-687) is subject to reporting under this section...

40 CFR 721.10120 - Siloxane modified alumina nanoparticles (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... nanoparticles (generic). 721.10120 Section 721.10120 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10120 Siloxane modified alumina nanoparticles (generic). (a) Chemical... as siloxane modified alumina nanoparticles (PMN P-05-687) is subject to reporting under this section...

40 CFR 721.10151 - Modified styrene, divinylbenzene polymer (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... polymer (generic). 721.10151 Section 721.10151 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10151 Modified styrene, divinylbenzene polymer (generic). (a) Chemical... as modified styrene, divinylbenzene polymer (PMN P-07-642) is subject to reporting under this section...

40 CFR 721.10151 - Modified styrene, divinylbenzene polymer (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... polymer (generic). 721.10151 Section 721.10151 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10151 Modified styrene, divinylbenzene polymer (generic). (a) Chemical... as modified styrene, divinylbenzene polymer (PMN P-07-642) is subject to reporting under this section...

40 CFR 721.10151 - Modified styrene, divinylbenzene polymer (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... polymer (generic). 721.10151 Section 721.10151 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10151 Modified styrene, divinylbenzene polymer (generic). (a) Chemical... as modified styrene, divinylbenzene polymer (PMN P-07-642) is subject to reporting under this section...

Dissolution of cerium(IV)-lanthanide(III) oxides: Comparative effect of chemical composition, temperature, and acidity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horlait, D.; Clavier, N.; Szenknect, S.

2012-03-15

The dissolution of Ce{sub 1-x}Ln{sub x}O{sub 2-x/2} solid solutions was undertaken in various acid media in order to evaluate the effects of several physicochemical parameters such as chemical composition, temperature, and acidity on the reaction kinetics. The normalized dissolution rates (R{sub L,0}) were found to be strongly modified by the trivalent lanthanide incorporation rate, due to the presence of oxygen vacancies decreasing the samples cohesion. Conversely, the nature of the trivalent cation considered only weakly impacted the R{sub L,0} values. The dependence of the normalized dissolution rates on the temperature then appeared to be of the same order of magnitudemore » than that of chemical composition. Moreover, it allowed determining the corresponding activation energy (E{sub A} ≅ 60-85 kJ.mol{sup -1}) which accounts for a dissolution driven by surface-controlled reactions. A similar conclusion was made regarding the acidity of the solution: the partial order related to (H{sub 3}O{sup +}) reaching about 0.7. Finally, the prevailing effect of the incorporation of aliovalent cations in the fluorite-type CeO{sub 2} matrix on the dissolution kinetics precluded the observation of slight effects such as those linked to the complexing agents or to the crystal structure of the samples. (authors)« less

Chemically modified graphene based supercapacitors for flexible and miniature devices

NASA Astrophysics Data System (ADS)

Ghosh, Debasis; Kim, Sang Ouk

2015-09-01

Rapid progress in the portable and flexible electronic devises has stimulated supercapacitor research towards the design and fabrication of high performance flexible devices. Recent research efforts for flexible supercapacitor electrode materials are highly focusing on graphene and chemically modified graphene owing to the unique properties, including large surface area, high electrical and thermal conductivity, excellent mechanical flexibility, and outstanding chemical stability. This invited review article highlights current status of the flexible electrode material research based on chemically modified graphene for supercapacitor application. A variety of electrode architectures prepared from chemically modified graphene are summarized in terms of their structural dimensions. Novel prototypes for the supercapacitor aiming at flexible miniature devices, i.e. microsupercapacitor with high energy and power density are highlighted. Future challenges relevant to graphene-based flexible supercapacitors are also suggested. [Figure not available: see fulltext.

Photochemical removal of aniline in aqueous solutions: switching from photocatalytic degradation to photo-enhanced polymerization recovery.

PubMed

Tang, Heqing; Li, Jing; Bie, Yeqiang; Zhu, Lihua; Zou, Jing

2010-03-15

Organic pollutants may be treated by either a degradation process or a recovery process in the view point of sustainable chemistry. Photocatalytic removal of aniline was investigated in aqueous solutions. It was found that the photocatalytic oxidation of aniline resulted in its degradation or polymerization, depending on its concentration. Hence a new treatment strategy was proposed in combination of photocatalytic degradation and polymerization, where the polymerization was in fact a recovery process. When aniline concentration was as low as 0.1 mmol L(-1), it was possible to photocatalytically degrade aniline, which could be further enhanced by increasing solution pH, modifying TiO(2) surface with the addition of anions, or coupling with the photoreduction of added oxidants. When aniline concentration was increased to about 1 mmol L(-1), the photocatalytic oxidation was observed to yield the polymerization of aniline, leading to nanocomposites of polyaniline (PAN) and TiO(2). Alternatively, the photo-enhanced chemical polymerization of aniline at higher concentrations (>or=50 mmol L(-1)) in the presence of chemical oxidants produced PAN nanostructures. The conversion of pollutant aniline to valuable PAN nanostructures or nano-PAN/TiO(2) composites is suggestive for possible applications in the treatment of aniline wastewaters as a sustainable environmental protection measure. (c) 2009 Elsevier B.V. All rights reserved.

Analysis of the surface density and reactivity of perfluorophenylazide and the impact on ligand immobilization.

PubMed

Zorn, Gilad; Castner, David G; Tyagi, Anuradha; Wang, Xin; Wang, Hui; Yan, Mingdi

2015-03-01

Perfluorophenylazide (PFPA) chemistry is a novel method for tailoring the surface properties of solid surfaces and nanoparticles. It is general and versatile, and has proven to be an efficient way to immobilize graphene, proteins, carbohydrates, and synthetic polymers. The main thrust of this work is to provide a detailed investigation on the chemical composition and surface density of the PFPA tailored surface. Specifically, gold surfaces were treated with PFPA-derivatized (11-mercaptoundecyl)tetra(ethylene glycol) (PFPA-MUTEG) mixed with 2-[2-(2-mercaptoethoxy)ethoxy]ethanol (MDEG) at varying solution mole ratios. Complementary analytical techniques were employed to characterize the resulting films including Fourier transform infrared spectroscopy to detect fingerprints of the PFPA group, x-ray photoelectron spectroscopy and ellipsometry to study the homogeneity and uniformity of the films, and near edge x-ray absorption fine structures to study the electronic and chemical structure of the PFPA groups. Results from these studies show that the films prepared from 90:10 and 80:20 PFPA-MUTEG/MDEG mixed solutions exhibited the highest surface density of PFPA and the most homogeneous coverage on the surface. A functional assay using surface plasmon resonance with carbohydrates covalently immobilized onto the PFPA-modified surfaces showed the highest binding affinity for lectin on the PFPA-MUTEG/MDEG film prepared from a 90:10 solution.

[Application of fuzzy mathematics on modifying taste of oral solution of traditional Chinese drug].

PubMed

Wang, Youjie; Feng, Yi; Zhang, Bo

2009-01-01

To apply Fuzzy mathematical methods to choose the best taste modifying prescription of oral solution of traditional Chinese drug. Jin-Fukang oral solution was used as a model drug. The oral solution was prepared in different taste modifying prescriptions, whose tastes were evaluated by the fuzzy quality synthetic evaluation system. Compound-sweeteners with Sucralose and Erythritol was the best choice. Fuzzy integrated evaluation can be used to evaluate the taste of traditional Chinese medicinal pharmaceuticals, which overcame the artificial factors and achieve more objective conclusion.

Development of photo-modified starch/kefiran/TiO2 bio-nanocomposite as an environmentally-friendly food packaging material.

PubMed

Goudarzi, Vahid; Shahabi-Ghahfarrokhi, Iman

2018-05-21

This paper reports on an experiment in which starch/kefiran/TiO 2 (SKT)-based bio-nanocomposite films were developed and modified by photo-chemical reaction. In so doing, film-forming solutions were exposed to ultraviolet A (UV-A) for different times (1, 6, and 12 h). The obtained results indicated that increasing UV-A exposure time brought about an increase (≈14.9%) in the tensile strength of bio-nanocomposites. However, elongation at break and Young's modulus of irradiated film specimen decreased (≈32%, ≈12%, respectively) by increasing UV-A exposure time, and the moisture-sensitive parameters of specimen decreased using UV-A irradiation. According to the results, the functional properties of irradiated bio-nanocomposite are depended on the ratio of cross-linkages between polymer chains and the potentially produced mono and disaccharide by UV-A. Copyright © 2018. Published by Elsevier B.V.

Exact solutions for (1 + 1)-dimensional nonlinear dispersive modified Benjamin-Bona-Mahony equation and coupled Klein-Gordon equations.

PubMed

Khan, Kamruzzaman; Akbar, M Ali; Islam, S M Rayhanul

2014-01-01

In this work, recently developed modified simple equation (MSE) method is applied to find exact traveling wave solutions of nonlinear evolution equations (NLEEs). To do so, we consider the (1 + 1)-dimensional nonlinear dispersive modified Benjamin-Bona-Mahony (DMBBM) equation and coupled Klein-Gordon (cKG) equations. Two classes of explicit exact solutions-hyperbolic and trigonometric solutions of the associated equations are characterized with some free parameters. Then these exact solutions correspond to solitary waves for particular values of the parameters. 02.30.Jr; 02.70.Wz; 05.45.Yv; 94.05.Fg.

CHARMM Force-Fields with Modified Polyphosphate Parameters Allow Stable Simulation of the ATP-Bound Structure of Ca(2+)-ATPase.

PubMed

Komuro, Yasuaki; Re, Suyong; Kobayashi, Chigusa; Muneyuki, Eiro; Sugita, Yuji

2014-09-09

Adenosine triphosphate (ATP) is an indispensable energy source in cells. In a wide variety of biological phenomena like glycolysis, muscle contraction/relaxation, and active ion transport, chemical energy released from ATP hydrolysis is converted to mechanical forces to bring about large-scale conformational changes in proteins. Investigation of structure-function relationships in these proteins by molecular dynamics (MD) simulations requires modeling of ATP in solution and ATP bound to proteins with accurate force-field parameters. In this study, we derived new force-field parameters for the triphosphate moiety of ATP based on the high-precision quantum calculations of methyl triphosphate. We tested our new parameters on membrane-embedded sarcoplasmic reticulum Ca(2+)-ATPase and four soluble proteins. The ATP-bound structure of Ca(2+)-ATPase remains stable during MD simulations, contrary to the outcome in shorter simulations using original parameters. Similar results were obtained with the four ATP-bound soluble proteins. The new force-field parameters were also tested by investigating the range of conformations sampled during replica-exchange MD simulations of ATP in explicit water. Modified parameters allowed a much wider range of conformational sampling compared with the bias toward extended forms with original parameters. A diverse range of structures agrees with the broad distribution of ATP conformations in proteins deposited in the Protein Data Bank. These simulations suggest that the modified parameters will be useful in studies of ATP in solution and of the many ATP-utilizing proteins.

Self-Consistent Sources Extensions of Modified Differential-Difference KP Equation

NASA Astrophysics Data System (ADS)

Gegenhasi; Li, Ya-Qian; Zhang, Duo-Duo

2018-04-01

In this paper, we investigate a modified differential-difference KP equation which is shown to have a continuum limit into the mKP equation. It is also shown that the solution of the modified differential-difference KP equation is related to the solution of the differential-difference KP equation through a Miura transformation. We first present the Grammian solution to the modified differential-difference KP equation, and then produce a coupled modified differential-difference KP system by applying the source generation procedure. The explicit N-soliton solution of the resulting coupled modified differential-difference system is expressed in compact forms by using the Grammian determinant and Casorati determinant. We also construct and solve another form of the self-consistent sources extension of the modified differential-difference KP equation, which constitutes a Bäcklund transformation for the differential-difference KP equation with self-consistent sources. Supported by the National Natural Science Foundation of China under Grant Nos. 11601247 and 11605096, the Natural Science Foundation of Inner Mongolia Autonomous Region under Grant Nos. 2016MS0115 and 2015MS0116 and the Innovation Fund Programme of Inner Mongolia University No. 20161115

Development of a flow-through system for the fish embryo toxicity test (FET) with the zebrafish (Danio rerio).

PubMed

Lammer, E; Kamp, H G; Hisgen, V; Koch, M; Reinhard, D; Salinas, E R; Wendler, K; Zok, S; Braunbeck, Th

2009-10-01

The acute fish test is still a mandatory component in chemical hazard and risk assessment. However, one of the objectives of the new European chemicals policy (REACH - Registration, Evaluation, Authorization and Restriction of Chemicals) is to promote non-animal testing. For whole effluent testing in Germany, the fish embryo toxicity test (FET) with the zebrafish (Danio rerio) has been an accepted and mandatory replacement of the fish test since January 2005. For chemical testing, however, further optimization of the FET is required to improve the correlation between the acute fish test and the alternative FET. Since adsorption of the test chemical to surfaces may reduce available exposure concentrations, a flow-through system for the FET using modified commercially available polystyrene 24-well microtiter plates was developed, thus combining the advantages of the standard FET with those of continuous delivery of test substances. The advantages of the design presented include: small test footprint, availability of adequate volumes of test solution for subsequent chemical analysis, and sufficient flow to compensate for effects of non-specific adsorption within 24h. The flow-through test system can also be utilized to conduct longer-term embryo larval fish tests, thus offering the possibility for teratogenicity testing.

Investigation of cross-linking characteristics of novel hole-transporting materials for solution-processed phosphorescent OLEDs

NASA Astrophysics Data System (ADS)

Lee, Jaemin; Ameen, Shahid; Lee, Changjin

2016-04-01

After the success of commercialization of the vacuum-evaporated organic light-emitting diodes (OLEDs), solutionprocessing or printing of OLEDs are currently attracting much research interests. However, contrary to various kinds of readily available vacuum-evaporable OLED materials, the solution-processable OLED materials are still relatively rare. Hole-transporting layer (HTL) materials for solution-processed OLEDs are especially limited, because they need additional characteristics such as cross-linking to realize multilayer structures in solution-processed OLEDs, as well as their own electrically hole-transporting characteristics. The presence of such cross-linking characteristics of solutionprocessable HTL materials therefore makes them more challenging in the development stage, and also makes them essence of solution-processable OLED materials. In this work, the structure-property relationships of thermally crosslinkable HTL materials were systematically investigated by changing styrene-based cross-linking functionalities and modifying the carbazole-based hole-transporting core structures. The temperature dependency of the cross-linking characteristics of the HTL materials was systematically investigated by the UV-vis. absorption spectroscopy. The new HTL materials were also applied to green phosphorescent OLEDs, and their device characteristics were also investigated based on the chemical structures of the HTL materials. The device configuration was [ITO / PEDOT:PSS / HTL / EML / ETL / CsF / Al]. We found out that the chemical structures of the cross-linking functionalities greatly affect not only the cross-linking characteristics of the resultant HTL materials, but also the resultant OLED device characteristics. The increase of the maximum luminance and efficiency of OLEDs was evident as the cross-linking temperature decreases from higher than 200°C to at around 150°C.

Cobalt as chemical modifier to improve chromium sensitivity and minimize matrix effects in tungsten coil atomic emission spectrometry.

PubMed

Silva, Sidnei G; Donati, George L; Santos, Luana N; Jones, Bradley T; Nóbrega, Joaquim A

2013-05-30

Cobalt is used as chemical modifier to improve sensitivity and minimize matrix effects in Cr determinations by tungsten coil atomic emission spectrometry (WCAES). The atomizer is a tungsten filament extracted from microscope light bulbs. A solid-state power supply and a handheld CCD-based spectrometer are also used in the instrumental setup. In the presence of 1000 mg L(-1) Co, WCAES limit of detection for Cr (λ=425.4 nm) is calculated as 0.070 mg L(-1); a 10-fold improvement compared to determinations without Co modifier. The mechanism involved in such signal enhancement is similar to the one observed in ICP OES and ICP-MS determinations of As and Se in the presence of C. Cobalt increases the population of Cr(+) by charge transfer reactions. In a second step, Cr(+)/e(-) recombination takes place, which results in a larger population of excited-state Cr atoms. This alternative excitation route is energetically more efficient than heat transfer from atomizer and gas phase to analyte atoms. A linear dynamic range of 0.25-10 mg L(-1) and repeatability of 3.8% (RSD, n=10) for a 2.0 mg L(-1) Cr solution are obtained with this strategy. The modifier high concentration also contributes to improving accuracy due to a matrix-matching effect. The method was applied to a certified reference material of Dogfish Muscle (DORM-2) and no statistically significant difference was observed between determined and certified Cr values at a 95% confidence level. Spike experiments with bottled water samples resulted in recoveries between 93% and 112%. Copyright © 2013 Elsevier B.V. All rights reserved.

PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

USGS Publications Warehouse

Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

2010-01-01

The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, exchangers, surfaces, gases, kinetic reactants, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a format suitable for exporting to spreadsheets and postprocessing programs; and in Hierarchical Data Format (HDF), which is a compressed binary format. Data in the HDF file can be visualized on Windows computers with the program Model Viewer and extracted with the utility program PHASTHDF; both programs are distributed with PHAST.

In vitro evaluation of the erosive potential of viscosity-modified soft acidic drinks on enamel.

PubMed

Aykut-Yetkiner, Arzu; Wiegand, Annette; Ronay, Valerie; Attin, Rengin; Becker, Klaus; Attin, Thomas

2014-04-01

The objective of this in vitro study was to investigate the effect of viscosity-modified soft acidic drinks on enamel erosion. A total of 108 bovine enamel samples (∅ = 3 mm) were embedded in acrylic resin and allocated into six groups (n = 18). Soft acidic drinks (orange juice, Coca-Cola, Sprite) were used both in their regular forms and at a kinetic viscositiy of 5 mm(2)/s, which was adjusted by adding hydroxypropyl cellulose. All solutions were pumped over the enamel surface from a reservoir with a drop rate of 3 ml/min. Each specimen was eroded for 10 min at 20 °C. Erosion of enamel surfaces was measured using profilometry. Data were analyzed using independent t tests and one-way ANOVAs (p < 0.05). Enamel loss was significantly higher for the regular (Coca-Cola, 5.60 ± 1.04 μm; Sprite, 5.49 ± 0.94 μm; orange juice, 1.35 ± 0.4 μm) than for the viscosity-modified drinks (Coca-Cola, 4.90 ± 0.34 μm; Sprite, 4.46 ± 0.39 μm; orange juice, 1.10 ± 0.22 μm). For both regular and viscosity-modified forms, Coca-Cola and Sprite caused higher enamel loss than orange juice. Increasing the viscosity of acidic soft drinks to 5 mm(2)/s reduced enamel erosion by 12.6-18.7 %. The erosive potential of soft acidic drinks is not only dependent on various chemical properties but also on the viscosity of the acidic solution and can be reduced by viscosity modification.

Development of numerical techniques for simulation of magnetogasdynamics and hypersonic chemistry

NASA Astrophysics Data System (ADS)

Damevin, Henri-Marie

Magnetogasdynamics, the science concerned with the mutual interaction between electromagnetic field and flow of electrically conducting gas, offers promising advances in flow control and propulsion of future hypersonic vehicles. Numerical simulations are essential for understanding phenomena, and for research and development. The current dissertation is devoted to the development and validation of numerical algorithms for the solution of multidimensional magnetogasdynamic equations and the simulation of hypersonic high-temperature effects. Governing equations are derived, based on classical magnetogasdynamic assumptions. Two sets of equations are considered, namely the full equations and equations in the low magnetic Reynolds number approximation. Equations are expressed in a suitable formulation for discretization by finite differences in a computational space. For the full equations, Gauss law for magnetism is enforced using Powell's methodology. The time integration method is a four-stage modified Runge-Kutta scheme, amended with a Total Variation Diminishing model in a postprocessing stage. The eigensystem, required for the Total Variation Diminishing scheme, is derived in generalized three-dimensional coordinate system. For the simulation of hypersonic high-temperature effects, two chemical models are utilized, namely a nonequilibrium model and an equilibrium model. A loosely coupled approach is implemented to communicate between the magnetogasdynamic equations and the chemical models. The nonequilibrium model is a one-temperature, five-species, seventeen-reaction model solved by an implicit flux-vector splitting scheme. The chemical equilibrium model computes thermodynamics properties using curve fit procedures. Selected results are provided, which explore the different features of the numerical algorithms. The shock-capturing properties are validated for shock-tube simulations using numerical solutions reported in the literature. The computations of superfast flows over corners and in convergent channels demonstrate the performances of the algorithm in multiple dimensions. The implementation of diffusion terms is validated by solving the magnetic Rayleigh problem and Hartmann problem, for which analytical solutions are available. Prediction of blunt-body type flow are investigated and compared with numerical solutions reported in the literature. The effectiveness of the chemical models for hypersonic flow over blunt body is examined in various flow conditions. It is shown that the proposed schemes perform well in a variety of test cases, though some limitations have been identified.

Chemically-modified cellulose paper as a microstructured catalytic reactor.

PubMed

Koga, Hirotaka; Kitaoka, Takuya; Isogai, Akira

2015-01-15

We discuss the successful use of chemically-modified cellulose paper as a microstructured catalytic reactor for the production of useful chemicals. The chemical modification of cellulose paper was achieved using a silane-coupling technique. Amine-modified paper was directly used as a base catalyst for the Knoevenagel condensation reaction. Methacrylate-modified paper was used for the immobilization of lipase and then in nonaqueous transesterification processes. These catalytic paper materials offer high reaction efficiencies and have excellent practical properties. We suggest that the paper-specific interconnected microstructure with pulp fiber networks provides fast mixing of the reactants and efficient transport of the reactants to the catalytically-active sites. This concept is expected to be a promising route to green and sustainable chemistry.

Water-dispersible hydroxyapatite nanoparticles synthesized in aqueous solution containing grape seed extract

NASA Astrophysics Data System (ADS)

Zhou, Ruchao; Si, Shaoxiong; Zhang, Qiyi

2012-02-01

A novel and effective method for the preparation of water-dispersible nano-hydroxyapatite (nHAp) particles was reported. nHAp was prepared in the presence of grape seed polyphenol (GSP) solution with different concentrations. Chemical precipitation method was adopted to produce pure nHAp and modified nHAp (nHAp-GSP) at 60 °C for 2 h. The chemical nature of the products was detected by Fourier transform infrared spectroscopy (FTIR) and thermal gravimetric analysis (TGA). Moreover, the crystal structure and morphology of particles was confirmed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results indicated that the spherical nHAp particles with a diameter of 20-50 nm could be synthesized at 60 °C. The zeta potential values of pure nHAp and nHAp-GSP are -0.36 mV and -26.1 mV respectively. According to the sedimentary time, the colloidal stability of nHAp-GSP in water could be improved dramatically with the increase of GSP content and the particles tended to exist as dispersive nanoparticles without aggregation. All the results indicated that GSP exhibited strong binding to nHAp and enhanced the colloidal stability of nHAp particles.

Investigation of Radiation and Chemical Resistance of Flexible HLW Transfer Hose

DOE Office of Scientific and Technical Information (OSTI.GOV)

E. Skidmore; Billings, K.; Hubbard, M.

A chemical transfer hose constructed of an EPDM (ethylene-propylene diene monomer) outer covering with a modified cross-linked polyethylene (XLPE) lining was evaluated for use in high level radioactive waste transfer applications. Laboratory analysis involved characterization of the hose liner after irradiation to doses of 50 to 300 Mrad and subsequent exposure to 25% NaOH solution at 93 C for 30 days, simulating 6 months intermittent service. The XLPE liner mechanical and structural properties were characterized at varying dose levels. Burst testing of irradiated hose assemblies was also performed. Literature review and test results suggest that radiation effects below doses ofmore » 100 kGy are minimal, with acceptable property changes to 500 kGy. Higher doses may be feasible. At a bounding dose of 2.5 MGy, the burst pressure is reduced to the working pressure (1.38 MPa) at room temperature. Radiation exposure slightly reduces liner tensile strength, with more significant decrease in liner elongation. Subsequent exposure to caustic solutions at elevated temperature slightly increases elongation, suggesting an immersion/hydrolytic effect or possible thermal annealing of radiation damage. This paper summarizes the laboratory results and recommendations for field deployment.« less

Deposition of tungsten metal by an immersion process

DOE PAGES

Small, Leo J.; Brumbach, Michael T.; Clem, Paul G.; ...

2017-03-23

A new multi-step, solution-phase method for the spontaneous deposition of tungsten from a room temperature ethereal solution is reported. This immersion process relies on the deposition of a sacrificial zinc coating which is galvanically displaced by the ether-mediated reduction of oxophilic WCl 6. Subsequent thermal treatment renders a crystalline, metallic tungsten film. The chemical evolution of the surface and formation of a complex intermediate tungsten species is characterized by X-ray diffraction, infrared spectroscopy, and X-ray photoelectron spectroscopy. Efficient metallic tungsten deposition is first characterized on a graphite substrate and then demonstrated on a functional carbon foam electrode. The resulting electrochemicalmore » performance of the modified electrode is interrogated with the canonical aqueous ferricyanide system. A tungsten-coated carbon foam electrode showed that both electrode resistance and overall electrochemical cell resistance were reduced by 50%, resulting in a concomitant decrease in redox peak separation from 1.902 V to 0.783 V. Furthermore, this process promises voltage efficiency gains in electrodes for energy storage technologies and demonstrates the viability of a new route to tungsten coating for technologies and industries where high conductivity and chemical stability are paramount.« less

Correlation between dynamic wetting behavior and chemical components of thermally modified wood

NASA Astrophysics Data System (ADS)

Wang, Wang; Zhu, Yuan; Cao, Jinzhen; Sun, Wenjing

2015-01-01

In order to investigate the dynamic wetting behavior of thermally modified wood, Cathay poplar (Populus cathayana Rehd.) and Scots pine (Pinus sylvestris L.) samples were thermally modified in an oven at 160, 180, 200, 220 or 240 °C for 4 h in this study. The dynamic contact angles and droplet volumes of water droplets on modified and unmodified wood surfaces were measured by sessile drop method, and their changing rates (expression index: K value and wetting slope) calculated by wetting models were illustrated for mapping the dynamic wetting process. The surface chemical components were also measured by X-ray photoelectron spectroscopy analysis (XPS), thus the relationship between dynamic wetting behavior and chemical components of thermally modified wood were determined. The results indicated that thermal modification was capable of decreasing the dynamic wettability of wood, expressed in lowing spread and penetration speed of water droplets on wood surfaces. This change was more obvious with the increased heating temperature. The K values varied linearly with the chemical components parameter (mass loss, O/C ratio, and C1/C2 ratio), indicating a strong correlation between dynamic wetting behavior and chemical components of thermally modified wood.

40 CFR 721.10533 - Amine-modified urea-formaldehyde polymer (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... polymer (generic). 721.10533 Section 721.10533 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10533 Amine-modified urea-formaldehyde polymer (generic). (a) Chemical... as amine-modified urea-formaldehyde polymer (PMN P-12-182) is subject to reporting under this section...

40 CFR 721.10533 - Amine-modified urea-formaldehyde polymer (generic).

Code of Federal Regulations, 2013 CFR

2013-07-01

... polymer (generic). 721.10533 Section 721.10533 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10533 Amine-modified urea-formaldehyde polymer (generic). (a) Chemical... as amine-modified urea-formaldehyde polymer (PMN P-12-182) is subject to reporting under this section...

Chemical modification of poly(ethylene terephthalate) and immobilization of the selected enzymes on the modified film

NASA Astrophysics Data System (ADS)

Irena, Gancarz; Jolanta, Bryjak; Karolina, Zynek

2009-07-01

Poly(ethylene terephthalate) (PET) film was modified by reaction with hydrazine (HD), ethylenediamine (EDA), 1,2-diaminopropane (1,2-DAP) and 1,3-diaminopropane (1,3-DAP). The maximal amount of amine functionalities introduced in the chosen conditions on the surface was found as 0.07, 3.35, 0.76 and 1.99 nmol cm -2 for HD, EDA, 1,2-DAP and 1,3-DAP respectively. During the modification process etching of the sample and an increase of stiffness takes place. FTIR-ATR spectra prove that the surface chemistry after modification in amine solution is very complex. The lack of clear correlation between the surface tension and surface concentration of amine functionalities seems to confirm that. For immobilization purpose invertase, laccase and tyrosinase were used. The amount of covalently attached proteins at first increases with the increase of surface concentration of amine groups but after reaching a certain level of amine groups, decrease of the immobilization level was observed. All enzymes tested showed highest activity for a moderate level of aminolysis and this activity had the highest values for EDA-modified PET.

Ion exchanger from chemically modified banana leaves.

PubMed

El-Gendy, Ahmed A; Mohamed, Samar H; Abd-Elkader, Amal H

2013-07-25

Cation exchangers from chemically modified banana leaves have been prepared. Banana leaves were treated with different molarities of KMnO4 and cross linked with epichlorohydrin and their effect on metal ion adsorption was investigated. Phosphorylation of chemically modified banana leaves was also studied. The metal ion uptake by these modified banana leaves was clarified. Effect of different varieties, e.g. activation of produced cation exchanger, concentration of metal ions was also investigated. Characterization of the prepared ion exchangers by using infrared and thermal analysis was also taken in consideration. Copyright © 2013 Elsevier Ltd. All rights reserved.

Dispersive solitary wave solutions of Kadomtsev-Petviashvili and modified Kadomtsev-Petviashvili dynamical equations in unmagnetized dust plasma

NASA Astrophysics Data System (ADS)

Seadawy, A. R.; El-Rashidy, K.

2018-03-01

The Kadomtsev-Petviashvili (KP) and modified KP equations are two of the most universal models in nonlinear wave theory, which arises as a reduction of system with quadratic nonlinearity which admit weakly dispersive waves. The generalized extended tanh method and the F-expansion method are used to derive exact solitary waves solutions of KP and modified KP equations. The region of solutions are displayed graphically.

Physical Controls on Biogeochemical Processes in Intertidal Zones of Beach Aquifers

NASA Astrophysics Data System (ADS)

Heiss, James W.; Post, Vincent E. A.; Laattoe, Tariq; Russoniello, Christopher J.; Michael, Holly A.

2017-11-01

Marine ecosystems are sensitive to inputs of chemicals from submarine groundwater discharge. Tidally influenced saltwater-freshwater mixing zones in beach aquifers can host biogeochemical transformations that modify chemical loads prior to discharge. A numerical variable-density groundwater flow and reactive transport model was used to evaluate the physical controls on reactivity for mixing-dependent and mixing-independent reactions in beach aquifers, represented as denitrification and sulfate reduction, respectively. A sensitivity analysis was performed across typical values of tidal amplitude, hydraulic conductivity, terrestrial freshwater flux, beach slope, dispersivity, and DOC reactivity. For the model setup and conditions tested, the simulations demonstrate that denitrification can remove up to 100% of terrestrially derived nitrate, and sulfate reduction can transform up to 8% of seawater-derived sulfate prior to discharge. Tidally driven mixing between saltwater and freshwater promotes denitrification along the boundary of the intertidal saltwater circulation cell in pore water between 1 and 10 ppt. The denitrification zone occupies on average 49% of the mixing zone. Denitrification rates are highest on the landward side of the circulation cell and decrease along circulating flow paths. Reactivity for mixing-dependent reactions increases with the size of the mixing zone and solute supply, while mixing-independent reactivity is controlled primarily by solute supply. The results provide insights into the types of beaches most efficient in altering fluxes of chemicals prior to discharge and could be built upon to help engineer beaches to enhance reactivity. The findings have implications for management to protect coastal ecosystems and the estimation of chemical fluxes to the ocean.

Low-temperature, solution-processed ZrO2:B thin film: a bifunctional inorganic/organic interfacial glue for flexible thin-film transistors.

PubMed

Park, Jee Ho; Oh, Jin Young; Han, Sun Woong; Lee, Tae Il; Baik, Hong Koo

2015-03-04

A solution-processed boron-doped peroxo-zirconium oxide (ZrO2:B) thin film has been found to have multifunctional characteristics, providing both hydrophobic surface modification and a chemical glue layer. Specifically, a ZrO2:B thin film deposited on a hydrophobic layer becomes superhydrophilic following ultraviolet-ozone (UVO) treatment, whereas the same treatment has no effect on the hydrophobicity of the hydrophobic layer alone. Investigation of the ZrO2:B/hydrophobic interface layer using angle-resolved X-ray photoelectron spectroscopy (AR XPS) confirmed it to be chemically bonded like glue. Using the multifunctional nature of the ZrO2:B thin film, flexible amorphous indium oxide (In2O3) thin-film transistors (TFTs) were subsequently fabricated on a polyimide substrate along with a ZrO2:B/poly-4-vinylphenol (PVP) dielectric. An aqueous In2O3 solution was successfully coated onto the ZrO2:B/PVP dielectric, and the surface and chemical properties of the PVP and ZrO2:B thin films were analyzed by contact angle measurement, atomic force microscopy (AFM), Fourier transform infrared (FT-IR) spectroscopy, and X-ray photoelectron spectroscopy (XPS). The surface-engineered PVP dielectric was found to have a lower leakage current density (Jleak) of 4.38 × 10(-8) A/cm(2) at 1 MV/cm, with no breakdown behavior observed up to a bending radius of 5 mm. In contrast, the electrical characteristics of the flexible amorphous In2O3 TFT such as on/off current ratio (Ion/off) and electron mobility remained similar up to 10 mm of bending without degradation, with the device being nonactivated at a bending radius of 5 mm. These results suggest that ZrO2:B thin films could be used for low-temperature, solution-processed surface-modified flexible devices.

Adsorption of a reactive dye on chemically modified activated carbons--influence of pH.

PubMed

Orfão, J J M; Silva, A I M; Pereira, J C V; Barata, S A; Fonseca, I M; Faria, P C C; Pereira, M F R

2006-04-15

The surface chemistry of a commercial activated carbon with a slightly basic nature was modified by appropriate treatments in order to obtain two additional samples, respectively with acidic and basic properties, without changing its textural parameters significantly. Different techniques (N2 adsorption at 77 K, temperature programmed desorption, and determination of acidity, basicity, and pH at the point of zero charge) were used to characterize the adsorbents. Kinetic and equilibrium adsorption data of a selected textile reactive dye (Rifafix Red 3BN, C.I. reactive red 241) on the mentioned materials were obtained at the pH values of 2, 7, and 12. The kinetic curves are fitted using the second-order model. The respective rate constants seem to diminish progressively with the initial concentration for the more diluted solutions tested, reaching a constant value at higher concentrations, which depends on the experimental system under consideration (adsorbent and pH). In general, the Langmuir model provides the best fit for the equilibrium data. The different uptakes obtained are discussed in relation to the surface chemical properties of the adsorbents. It is shown that the adsorption of the reactive (anionic) dye on the basic sample (prepared by thermal treatment under H2 flow at 700 degrees C) is favored. This conclusion is explained on the basis of the dispersive and electrostatic interactions involved. Moreover, it is also shown that the optimal adsorption condition for all the activated carbons tested corresponds to solution pH values not higher than the pH(pzc) of the adsorbents, which may be interpreted by taking into account the electrostatic forces present.

High purity polyimide analysis by solid sampling graphite furnace atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Santos, Rafael F.; Carvalho, Gabriel S.; Duarte, Fabio A.; Bolzan, Rodrigo C.; Flores, Erico M. M.

2017-03-01

In this work, Cr, Cu, Mn, Na and Ni were determined in high purity polyimides (99.5%) by solid sampling graphite furnace atomic absorption spectrometry (SS-GFAAS) using Zeeman effect background correction system with variable magnetic field, making possible the simultaneous measurement at high or low sensitivity. The following analytical parameters were evaluated: pyrolysis and atomization temperatures, feasibility of calibration with aqueous solution, linear calibration range, sample mass range and the use of chemical modifier. Calibration with aqueous standard solutions was feasible for all analytes. No under or overestimated results were observed and up to 10 mg sample could be introduced on the platform for the determination of Cr, Cu, Mn, Na and Ni. The relative standard deviation ranged from 3 to 20%. The limits of detection (LODs) achieved using the high sensitivity mode were as low as 7.0, 2.5, 1.7, 17 and 0.12 ng g- 1 for Cr, Cu, Mn, Na and Ni, respectively. No addition of chemical modifier was necessary, except for Mn determination where Pd was required. The accuracy was evaluated by analyte spike and by comparison of the results with those obtained by inductively coupled plasma optical emission spectrometry and inductively coupled plasma mass spectrometry after microwave-assisted digestion in a single reaction chamber system and also by neutron activation analysis. No difference among the results obtained by SS-GFAAS and those obtained by alternative analytical methods using independent techniques. SS-GFAAS method showed some advantages, such as the determination of metallic contaminants in high purity polyimides with practically no sample preparation, very low LODs, calibration with aqueous standards and determination in a wide range of concentration.

A new modification in the exponential rational function method for nonlinear fractional differential equations

NASA Astrophysics Data System (ADS)

Ahmed, Naveed; Bibi, Sadaf; Khan, Umar; Mohyud-Din, Syed Tauseef

2018-02-01

We have modified the traditional exponential rational function method (ERFM) and have used it to find the exact solutions of two different fractional partial differential equations, one is the time fractional Boussinesq equation and the other is the (2+1)-dimensional time fractional Zoomeron equation. In both the cases it is observed that the modified scheme provides more types of solutions than the traditional one. Moreover, a comparison of the recent solutions is made with some already existing solutions. We can confidently conclude that the modified scheme works better and provides more types of solutions with almost similar computational cost. Our generalized solutions include periodic, soliton-like, singular soliton and kink solutions. A graphical simulation of all types of solutions is provided and the correctness of the solution is verified by direct substitution. The extended version of the solutions is expected to provide more flexibility to scientists working in the relevant field to test their simulation data.

Chemical and Biological Tools for the Preparation of Modified Histone Proteins

PubMed Central

Howard, Cecil J.; Yu, Ruixuan R.; Gardner, Miranda L.; Shimko, John C.; Ottesen, Jennifer J.

2016-01-01

Eukaryotic chromatin is a complex and dynamic system in which the DNA double helix is organized and protected by interactions with histone proteins. This system is regulated through, a large network of dynamic post-translational modifications (PTMs) exists to ensure proper gene transcription, DNA repair, and other processes involving DNA. Homogenous protein samples with precisely characterized modification sites are necessary to better understand the functions of modified histone proteins. Here, we discuss sets of chemical and biological tools that have been developed for the preparation of modified histones, with a focus on the appropriate choice of tool for a given target. We start with genetic approaches for the creation of modified histones, including the incorporation of genetic mimics of histone modifications, chemical installation of modification analogs, and the use of the expanded genetic code to incorporate modified amino acids. Additionally, we will cover the chemical ligation techniques that have been invaluable in the generation of complex modified histones that are indistinguishable from the natural counterparts. Finally, we will end with a prospectus on future directions of synthetic chromatin in living systems. PMID:25863817

Modified Surface Having Low Adhesion Properties to Mitigate Insect Residue Adhesion

NASA Technical Reports Server (NTRS)

Wohl, Christopher J., Jr. (Inventor); Smith, Joseph G., Jr. (Inventor); Siochi, Emilie J. (Inventor); Penner, Ronald K. (Inventor)

2016-01-01

A process to modify a surface to provide reduced adhesion surface properties to mitigate insect residue adhesion. The surface may include the surface of an article including an aircraft, an automobile, a marine vessel, all-terrain vehicle, wind turbine, helmet, etc. The process includes topographically and chemically modifying the surface by applying a coating comprising a particulate matter, or by applying a coating and also topographically modifying the surface by various methods, including but not limited to, lithographic patterning, laser ablation and chemical etching, physical vapor phase deposition, chemical vapor phase deposition, crystal growth, electrochemical deposition, spin casting, and film casting.

Tin oxide nanosheet assembly for hydrophobic/hydrophilic coating and cancer sensing.

PubMed

Masuda, Yoshitake; Ohji, Tatsuki; Kato, Kazumi

2012-03-01

Tin oxide nanosheets were crystallized on transparent conductive oxide substrates of fluorine-doped tin oxide in aqueous solutions. The nanosheets had chemical ratio of Sn:O:F = 1:1.85:0.076, suggesting fluorine doping into SnO(2). They were hydrophobic surfaces with contact angle of 140°. They were converted to hydrophilic surfaces with contact angle of below 1° by light irradiation. The simple water process will be applied to surface coating of polymers, metals, biomaterials, papers, etc. Furthermore, the tin oxide nanosheets were modified with dye-labeled monoclonal antibody. Monoclonal antibody reacts with human alpha-fetoprotein in blood serum of hepatocellular cancer patient. Photoluminescence and photocurrent were obtained from the nanosheets under excitation light. Photoelectric conversion was an essence in the sensing system. The tin oxide nanosheets with dye-labeled prostate specific antigen will be used for electrodes of prostate cancer sensors. © 2012 American Chemical Society

Adsorption of aromatic compounds from the biodegradation of azo dyes on activated carbon

NASA Astrophysics Data System (ADS)

Faria, P. C. C.; Órfão, J. J. M.; Figueiredo, J. L.; Pereira, M. F. R.

2008-03-01

The adsorption of three selected aromatic compounds (aniline, sulfanilic acid and benzenesulfonic acid) on activated carbons with different surface chemical properties was investigated at different solution pH. A fairly basic commercial activated carbon was modified by means of chemical treatment with HNO 3, yielding an acid activated carbon. The textural properties of this sample were not significantly changed after the oxidation treatment. Equilibrium isotherms of the selected compounds on the mentioned samples were obtained and the results were discussed in relation to their surface chemistry. The influence of electrostatic and dispersive interactions involved in the uptake of the compounds studied was evaluated. The Freundlich model was used to fit the experimental data. Higher uptakes are attained when the compounds are present in their molecular form. In general, adsorption was disfavoured by the introduction of oxygen-containing groups on the surface of the activated carbon.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Low, K.S.; Lee, C.K.; Lee, P.L.

The use of low-cost biological materials for the removal and recovery of heavy metals from solution has been investigated extensively in recent times. To enhance their sorption capacities various chemical modifications on the sorbents were attempted. Freer et al. showed that bark from the Pinus radiata (D. Don) had a greater sorption capacity for metals after treatment with both inorganic acid and formaldehyde. Apple wastes treated with phosphorus oxychloride improved the efficiency of removing metal ions. Ethylenediamine tetraacetic acid (EDTA)-modified groundnut, Arachis hypogea, was reported to improve the sorption of cadmium and lead ions. Modifications with the aid of dyesmore » also enhanced metal sorption. Moss and coconut husk (CH) are readily obtainable in Malaysia. Their sorption potential for metals has been reported. This paper reports on the metal sorption enhancement of these two biosorbents after chemical modification with nitrilotriacetic acid (NTA). 13 refs., 5 figs., 2 tabs.« less

Influence of Chemical Treatment on Thermal Decomposition and Crystallite Size of Coir Fiber

NASA Astrophysics Data System (ADS)

Manjula, R.; Raju, N. V.; Chakradhar, R. P. S.; Kalkornsurapranee, Ekwipoo; Johns, Jobish

2018-01-01

Coir fibers were treated with sodium hydroxide (NaOH) and glutaraldehyde (GA). The influence of alkali and aldehyde treatment on thermal degradation and crystallinity of coir fiber was studied in detail. Thermogravimetric analysis and X-ray diffraction techniques were mainly used to characterize the coir samples. Activation energy of degradation was calculated from Broido and Horowitz-Metzger equations. NaOH-treated samples showed an increase in thermal stability. Removal of impurities such as waxy and fatty acid residues from the coir fiber by reacting with strong base solution improved the stability of fiber. Crosslinking of cellulose with GA in the fiber enhanced the stability of the material. Scanning electron microscopy was employed to analyze the change in surface morphology upon chemical treatment. Improvement in the properties suggests that NaOH and GA can be effectively used to modify coir fiber with excellent stability.

Restricting detergent protease action to surface of protein fibres by chemical modification.

PubMed

Schroeder, M; Lenting, H B M; Kandelbauer, A; Silva, C J S M; Cavaco-Paulo, A; Gübitz, G M

2006-10-01

Due to their excellent properties, such as thermostability, activity over a broad range of pH and efficient stain removal, proteases from Bacillus sp. are commonly used in the textile industry including industrial processes and laundry and represent one of the most important groups of enzymes. However, due to the action of proteases, severe damage on natural protein fibres such as silk and wool result after washing with detergents containing proteases. To include the benefits of proteases in a wool fibre friendly detergent formulation, the soluble polymer polyethylene glycol (PEG) was covalently attached to a protease from Bacillus licheniformis. In contrast to activation of PEG with cyanuric chloride (50%) activation with 1,1'-carbonyldiimidazole (CDI) lead to activity recovery above 90%. With these modified enzymes, hydrolytic attack on wool fibres could be successfully prevented up to 95% compared to the native enzymes. Colour difference (DeltaE) measured in the three dimensional colour space showed good stain removal properties for the modified enzymes. Furthermore, half-life of the modified enzymes in buffers and commercial detergents solutions was nearly twice as high as those of the non-modified enzymes with values of up to 63 min. Out of the different modified proteases especially the B. licheniformis protease with the 2.0-kDa polymer attached both retained stain removal properties and did not hydrolyse/damage wool fibres.

The effect of carbon surface chemical composition on the adsorption of acetanilide.

PubMed

Terzyk, Artur P

2004-04-01

The study of acetanilide adsorption-desorption performed at three temperatures (300, 310, and 320 K) and at two pH levels (7.0 and 1.5) on the series of D43/1 carbons (initial and modified with HNO3, fuming H2SO4, and gaseous NH3) is reported. Sorption data are additionally supplemented with the results of thermal analysis and calorimetric and kinetic measurements. It is shown that, generally, acetanilide adsorption at the neutral pH level is reversible (only on the more acidic carbons and at the lowest temperature does hysteresis occur due to the formation of hydrogen bonds with surface OH groups), and it decreases for the chemically modified carbons. In contrast, at the acidic pH level acetanilide adsorption is irreversible. A mechanism of irreversibility is proposed and it is shown that hysteresis is caused by the chemical reaction between the nucleophile (carbon) and the protonized acetanilide molecules. For all studied carbons, at the acidic pH level, adsorption increases and this is caused by the weakly basic character of acetanilide molecule. Adsorption results are described applying adsorbability and Dubinin-Astakhov, quasi-Freundlich and solution analogue of the Toth adsorption isotherm equations. Using the kinetic data, the effective diffusion coefficients and the energy of diffusion are calculated. It is shown that the diffusion is mainly a surface process, and the contribution of the pore diffusion increases with the rise in temperature. By applying different correlations between the parameters obtained from the theoretical description of experimental data and those characterizing the chemical composition of the studied carbons, the role of the latter in the adsorption and kinetics of acetanilide adsorption is determined.

Chemical modification of citrus pectin: Structural, physical and rheologial implications.

PubMed

Fracasso, Aline Francielle; Perussello, Camila Augusto; Carpiné, Danielle; Petkowicz, Carmen Lúcia de Oliveira; Haminiuk, Charles Windson Isidoro

2018-04-01

The present study aimed to investigate the physical, structural and rheological modifications caused by the chemical modification process of citrus pectin. Therefore, three commercial citrus pectins with different degree of esterification were chemically modified by sequential alkali and acidic hydrolytic process to produce modified citrus pectins (MCP) with special properties. The molar mass (M w ), degree of esterification (DE), monosaccharide composition, 13 C NMR spectra, homogeneity, morphology (SEM) and rheological behavior of both native and modified citrus pectins (MCP) were investigated. The chemical modification reduced the acid uronic content (up to 28.3%) and molar mass (up to 29.98%), however, showed little influence on the degree of esterification of native pectins. Modified citrus pectins presented higher amounts of neutral monosaccharides, mainly galactose, arabinose and rhamnose, typical of the Ramnogalacturonana-I (RG-I) region. Rheological tests indicated that the native and modified citrus pectins presented pseudoplastic behavior, however, the MCP samples were less viscous, compared to the native ones. Modified samples presented better dissolution in water and less strong gels, with good stability during oscillatory shearing at 25°C. This study aims to better understand the implications that chemical modifications may impose on the structure of citrus pectins. Copyright © 2017 Elsevier B.V. All rights reserved.

Sorption and recovery of platinum from simulated spent catalyst solution and refinery wastewater using chemically modified biomass as a novel sorbent.

PubMed

Garole, Dipak J; Choudhary, Bharat C; Paul, Debajyoti; Borse, Amulrao U

2018-04-01

In this study, Lagerstroemia speciosa biomass modified by polyethylenimine (PEI-LS) was developed as a potential biosorbent for sorption and recovery of platinum(II) from platinum bearing waste solutions. Batch experiments were conducted to study the effect of various parameters on the sorption and recovery of platinum(II) using PEI-LS. The equilibrium time for platinum(II) sorption process was found to be 6 h. Both the sorption kinetics and sorption isotherm data fits pseudo second-order kinetic model and Langmuir isotherm, respectively. The maximum sorption capacity of platinum(II) onto PEI-LS at pH 2 for the studied temperature range (25-45 °C) is in the range of 122-154 mg/g. Evaluation of thermodynamic parameters suggests that the platinum(II) sorption is spontaneous and endothermic in nature. The regeneration of PEI-LS can be achieved using acidic thiourea as an eluent for recovery of platinum from the biosorbent. Fourier transform infrared (FT-IR) analysis suggests many functional groups were involved in platinum(II) sorption onto PEI-LS. Both the scanning electron microscope/energy dispersive spectroscopy (SEM/EDS) and X-ray photoelectron spectroscopy (XPS) analysis suggest a successful modification of raw biomass with PEI. The XPS analysis further concludes that platinum(II) sorption is governed by ion-exchange and co-ordination reaction. Finally, the PEI-LS was shown to recover ≥ 90% of platinum from two simulated solutions: the acid-leached spent catalyst solution and refinery wastewater. The biosorbent developed in this study is a low-cost and eco-friendly media that can be effectively used for platinum recovery from industrial wastewater.

A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution.

PubMed

Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Koga, Kenichiro

2016-06-14

In the conventional classical density functional theory (DFT) for simple fluids, an ideal gas is usually chosen as the reference system because there is a one-to-one correspondence between the external field and the density distribution function, and the exact intrinsic free-energy functional is available for the ideal gas. In this case, the second-order density functional Taylor series expansion of the excess intrinsic free-energy functional provides the hypernetted-chain (HNC) approximation. Recently, it has been shown that the HNC approximation significantly overestimates the solvation free energy (SFE) for an infinitely dilute Lennard-Jones (LJ) solution, especially when the solute particles are several times larger than the solvent particles [T. Miyata and J. Thapa, Chem. Phys. Lett. 604, 122 (2014)]. In the present study, we propose a reference-modified density functional theory as a systematic approach to improve the SFE functional as well as the pair distribution functions. The second-order density functional Taylor series expansion for the excess part of the intrinsic free-energy functional in which a hard-sphere fluid is introduced as the reference system instead of an ideal gas is applied to the LJ pure and infinitely dilute solution systems and is proved to remarkably improve the drawbacks of the HNC approximation. Furthermore, the third-order density functional expansion approximation in which a factorization approximation is applied to the triplet direct correlation function is examined for the LJ systems. We also show that the third-order contribution can yield further refinements for both the pair distribution function and the excess chemical potential for the pure LJ liquids.

Phosphate recovery from wastewater using engineered superparamagnetic particles modified with layered double hydroxide ion exchangers.

PubMed

Drenkova-Tuhtan, Asya; Mandel, Karl; Paulus, Anja; Meyer, Carsten; Hutter, Frank; Gellermann, Carsten; Sextl, Gerhard; Franzreb, Matthias; Steinmetz, Heidrun

2013-10-01

An innovative nanocomposite material is proposed for phosphate recovery from wastewater using magnetic assistance. Superparamagnetic microparticles modified with layered double hydroxide (LDH) ion exchangers of various compositions act as phosphate adsorbers. Magnetic separation and chemical regeneration of the particles allows their reuse, leading to the successful recovery of phosphate. Based upon the preliminary screening of different LDH ion exchanger modifications for phosphate selectivity and uptake capacity, MgFe-Zr LDH coated magnetic particles were chosen for further characterization and application. The adsorption kinetics of phosphate from municipal wastewater was studied in dependence with particle concentration, contact time and pH. Adsorption isotherms were then determined for the selected particle system. Recovery of phosphate and regeneration of the particles was examined via testing a variety of desorption solutions. Reusability of the particles was demonstrated for 15 adsorption/desorption cycles. Adsorption in the range of 75-97% was achieved in each cycle after 1 h contact time. Phosphate recovery and enrichment was possible through repetitive application of the desorption solution. Finally, a pilot scale experiment was carried out by treating 125 L of wastewater with the particles in five subsequent 25 L batches. Solid-liquid separation on this scale was carried out with a high-gradient magnetic filter (HGMF). Copyright © 2013 Elsevier Ltd. All rights reserved.

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

PubMed

Ma, Manman; Xu, Zhenli

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

Study on the fabrication of back surface reflectors in nano-crystalline silicon thin-film solar cells by using random texturing aluminum anodization

NASA Astrophysics Data System (ADS)

Shin, Kang Sik; Jang, Eunseok; Cho, Jun-Sik; Yoo, Jinsu; Park, Joo Hyung; Byungsung, O.

2015-09-01

In recent decades, researchers have improved the efficiency of amorphous silicon solar cells in many ways. One of the easiest and most practical methods to improve solar-cell efficiency is adopting a back surface reflector (BSR) as the bottom layer or as the substrate. The BSR reflects the incident light back to the absorber layer in a solar cell, thus elongating the light path and causing the so-called "light trapping effect". The elongation of the light path in certain wavelength ranges can be enhanced with the proper scale of BSR surface structure or morphology. An aluminum substrate with a surface modified by aluminum anodizing is used to improve the optical properties for applications in amorphous silicon solar cells as a BSR in this research due to the high reflectivity and the low material cost. The solar cells with a BSR were formed and analyzed by using the following procedures: First, the surface of the aluminum substrate was degreased by using acetone, ethanol and distilled water, and it was chemically polished in a dilute alkali solution. After the cleaning process, the aluminum surface's morphology was modified by using a controlled anodization in a dilute acid solution to form oxide on the surface. The oxidized film was etched off by using an alkali solution to leave an aluminum surface with randomly-ordered dimple-patterns of approximately one micrometer in size. The anodizing conditions and the anodized aluminum surfaces after the oxide layer had been removed were systematically investigated according to the applied voltage. Finally, amorphous silicon solar cells were deposited on a modified aluminum plate by using dc magnetron sputtering. The surfaces of the anodized aluminum were observed by using field-emission scanning electron microscopy. The total and the diffuse reflectances of the surface-modified aluminum sheets were measured by using UV spectroscopy. We observed that the diffuse reflectances increased with increasing anodizing voltage. The properties of the solar cells on anodized aluminum substrates were analyzed by using a solar simulator.

Engineering interfacial properties of organic semiconductors through soft-contact lamination and surface functionalization

NASA Astrophysics Data System (ADS)

Shu, Andrew Leo

Organic electronics is a topic of interest due to its potential for low temperature and solution processing for large area and flexible applications. Examples of organic electronic devices are already available on the market; however these are, in general, still rather expensive. In order to fully realize inexpensive and efficient organic electronics, the properties of organic films need to be understood and strategies developed to take advantage of these properties to improve device performance. This work focuses on two strategies that can be used to control charge transport at interfaces with active organic semiconducting thin films. These strategies are studied and verified with a range of photoemission spectroscopy, surface probe microscopy, and electrical measurements. Vacuum evaporated molecular organic devices have long used layer stacking of different materials as a method of dividing roles in a device and modifying energy level alignment to improve device performance and efficiency. Applying this type of architecture for solution-processed devices, on the other hand, is nontrivial, as an issue of removal of or mixing with underlying layers arises. We present and examine here soft-contact lamination as a viable technique for depositing solution-processed multilayer structures. The energetics at homojunctions of a couple of air-stable polymers is investigated. Charge transport is then compared between a two-layer film and a single-layer film of equivalent thicknesses. The interface formed by soft-contact lamination is found to be transparent with respect to electronic charge carriers. We also propose a technique for modifying electronic level alignment at active organic-organic heterojunctions using dipolar self-assembled monolayers (SAM). An ultra-thin metal oxide is first deposited via a gentle low temperature chemical vapor deposition as an adhesion layer for the SAM. The deposition is shown to be successful for a variety of organic films. A series of phenylphosphonic acid SAM molecules with various molecular dipoles is then used to functionalize the surface of an organic film and found to modify the work function depending on the molecular dipole across the molecule. This in turn is found to modify the energy level alignment between the underlying organic film with an organic film deposited on top.

A modified dynamical model of drying process of polymer blend solution coated on a flat substrate

NASA Astrophysics Data System (ADS)

Kagami, Hiroyuki

2008-05-01

We have proposed and modified a model of drying process of polymer solution coated on a flat substrate for flat polymer film fabrication. And for example numerical simulation of the model reproduces a typical thickness profile of the polymer film formed after drying. Then we have clarified dependence of distribution of polymer molecules on a flat substrate on a various parameters based on analysis of numerical simulations. Then we drove nonlinear equations of drying process from the dynamical model and the fruits were reported. The subject of above studies was limited to solution having one kind of solute though the model could essentially deal with solution having some kinds of solutes. But nowadays discussion of drying process of a solution having some kinds of solutes is needed because drying process of solution having some kinds of solutes appears in many industrial scenes. Polymer blend solution is one instance. And typical resist consists of a few kinds of polymers. Then we introduced a dynamical model of drying process of polymer blend solution coated on a flat substrate and results of numerical simulations of the dynamical model. But above model was the simplest one. In this study, we modify above dynamical model of drying process of polymer blend solution adding effects that some parameters change with time as functions of some variables to it. Then we consider essence of drying process of polymer blend solution through comparison between results of numerical simulations of the modified model and those of the former model.

Apparently enhanced magnetization of Cu(I)-modified γ-Fe2O3 based nanoparticles

NASA Astrophysics Data System (ADS)

Qiu, Xiaoyan; He, Zhenghong; Mao, Hong; Zhang, Ting; Lin, Yueqiang; Liu, Xiaodong; Li, Decai; Meng, Xiangshen; Li, Jian

2017-11-01

Using a chemically induced transition method in FeCl2 solution, γ-Fe2O3 based magnetic nanoparticles, in which γ-Fe2O3 crystallites were coated with FeCl3ṡ6H2O, were prepared. During the synthesis of the γ-Fe2O3 nanoparticles Cu(I) modification of the particles was attempted. According to the results from both magnetization measurements and structural characterization, it was judged that a magnetic silent "dead layer", which can be attributed to spin disorder in the surface of the γ-Fe2O3 crystallites due to breaking of the crystal symmetry, existed in the unmodified particles. For the Cu(I)-modified sample, the CuCl thin layer on the γ-Fe2O3 crystallites incurred the crystal symmetry to reduce the spin disorder, which "awakened" the "dead layer" on the surface of the γ-Fe2O3 crystallites, enhancing the apparent magnetization of the Cu(I)-modified nanoparticles. It was determined that the surface spin disorder of the magnetic crystallite could be related to the coating layer on the crystallite, and can be modified by altering the coating layer to enhance the effective magnetization of the magnetic nanoparticles.

Dimethyl diallyl ammonium chloride and diallylamin Co-polymer modified bio-film derived from palm dates for the adsorption of dyes.

PubMed

Jabli, Mahjoub; Saleh, Tawfik A; Sebeia, Nouha; Tka, Najeh; Khiari, Ramzi

2017-10-31

For the first time, co-polymer of dimethyl diallyl ammonium chloride and diallylamin (PDDACD) was used to modify the films derived from the waste of palm date fruits, which were then investigated by the purification of colored aqueous solutions. The physico-chemical characteristics were identified using data color, FT-IR spectroscopy, and SEM features. The modified films were evaluated as adsorbents of Methylene Blue (MB), Direct Yellow 50 (DY50), Reactive Blue 198 (RB198) and Naphtol Blue Black (NBB). High retention capacities were achieved in the following order: The equilibrium da DY50 (14 mg g -1 ) < RB198 (16 mg g -1 ) < NBB (63.9 mg g -1 ) < MB (150 mg g -1 ). The kinetic modeling of the data revealed that the adsorption data follows the pseudo second order model. It was fitted to the Langmuir, Freundlich, Temkin, and Dubinin-Redushkevich equations, and the data best fit the Freundlich model indicating that the adsorption might occur in the heterogeneous adsorption sites. These results reveal that PDDACD modified films are valuable materials for the treatment of industrial wastewater. Moreover, the as-prepared adsorbent is economically viable and easily controllable for pollutant adsorption.

Correction to: Top Down Tandem Mass Spectrometric Analysis of a Chemically Modified Rough-Type Lipopolysaccharide Vaccine Candidate

NASA Astrophysics Data System (ADS)

Oyler, Benjamin L.; Khan, Mohd M.; Smith, Donald F.; Harberts, Erin M.; Kilgour, David P. A.; Ernst, Robert K.; Cross, Alan S.; Goodlett, David R.

2018-04-01

In the preceding article "Top Down Tandem Mass Spectrometric Analysis of a Chemically Modified Rough-Type Lipopolysaccharide Vaccine Candidate" by Oyler et al., an error in the J5 E. coli LPS chemical structure (Figs. 2 and 4) was introduced and propagated into the final revision.

Effect of heterocyclic based organoclays on the properties of polyimide-clay nanocomposites.

PubMed

Krishnan, P Santhana Gopala; Joshi, Mangala; Bhargava, Prachur; Valiyaveettil, Suresh; He, Chaobin

2005-07-01

Polyimide-clay nanocomposites were prepared from their precursor, namely, polyamic acid, by the solution-casting method. Organomodified montmorillonite (MMT) clay was prepared by treating Na+MMT (Kunipia F) with three different intercalating agents, namely, piperazine dihydrochloride, 1,3-bis(4-piperidinylpropane) dihydrochloride and 4,4'-bipiperidine dihydrochloride at 80 degrees C. Polyamic acid solutions containing various weight percentages of organomodified MMT were prepared by reacting 4,4'-(1,1'-biphenyl-4,4'-diyldioxy)dianiline with bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride in N-methyl-2-pyrrolidinone containing dispersed particles of organomodified MMT at 20 degrees C. Nanocomposite films were prepared from these solutions by solution casting and heated subsequently at a programmed heating rate. These films were transparent and brown in color. The extent of layer separation in nanocomposite films depends upon the chemical structure of the organoclay. These films were characterized by inherent viscosity, FT-IR, DSC, TMA, WAXD, TEM, UV, and TGA. The tensile behavior and surface energy studies were also investigated. The nanocomposite films had superior tensile properties, thermal behavior, and solvent resistance. Among the three organoclays, piperazine dihydrochloride was the best modifier.

Preparation, characterization and properties of polymer-layered silicate nanocomposites

NASA Astrophysics Data System (ADS)

Fonseca, Claudia Alencar

Nanocomposites are a relatively new class of composites, that in the polymer area typically consist of particle-filled polymers where at least one dimension of the dispersed particles is in the nanometer range. Amongst all potential nanocomposite precursors, those based on clay and layered silicates have been more widely investigated. These nanocomposites exhibit markedly improved mechanical, thermal, optical and physico-chemical properties when compared to conventional (microscale) composites. In the present work, properties of nanocomposites of Ethylene Methacrylic Acid copolymers and organically modified Montmorillonite formed from the melt was investigated. Nanocomposites of Poly(vinyl alcohol) and Montmorillonite formed from solution was also studied.

CWIS Experiment On Board REXUS-16 Sounding Rocket: Investigation of the Chemical Wave in Binary Mixture

NASA Astrophysics Data System (ADS)

Tzevelecos, W.; Pugliese, A.; de Filippis, L.; Manzone, S.; Alfano, B.; Mancino, F.; Runge, W.; Desenfans, O.; Galand, Q.; Van Vaerenbergh, S.

2015-09-01

Chemical Wave in Soret Effect (CWIS) is an experiment launched in May 2014 on-board a REXUS sounding rocket from Esrange Space Center. The experiment was completely designed and assembled by students from different countries under an international collaboration between the Université libre de Bruxelles (ULB) and the University of Naples Federico II. This student program called REXUS/BEXUS allows students to perform experiments in space science applications under the supervision of the European Space Agency (ESA). The objective of the CWIS Team was to visualize the Chemical Wave (CW) during the transient of the Soret effect. The CW is a concentration front that rapidly propagates under thermal gradient in a liquid mixture, and which marks the beginning of the chemical separation phenomenon by thermodiffusion (the separation process is itself named Soret effect, but is usually analyzed statically). The selected mixture was a solution of Ethylene Glycol in Water and concentration variation due to thermal gradients was recorded using a modified Fizeau interferometer, with modifications designed to enlarge a very small region of the test cell using cylindrical squeezing. We recorded more than 100 images with the chemical information and in this paper work we will show the final results of the sounding rocket experiment.

Chemical analysis of bleach and hydroxide-based solutions after decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX).

PubMed

Hopkins, F B; Gravett, M R; Self, A J; Wang, M; Chua, Hoe-Chee; Hoe-Chee, C; Lee, H S Nancy; Sim, N Lee Hoi; Jones, J T A; Timperley, C M; Riches, J R

2014-08-01

Detailed chemical analysis of solutions used to decontaminate chemical warfare agents can be used to support verification and forensic attribution. Decontamination solutions are amongst the most difficult matrices for chemical analysis because of their corrosive and potentially emulsion-based nature. Consequently, there are relatively few publications that report their detailed chemical analysis. This paper describes the application of modern analytical techniques to the analysis of decontamination solutions following decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). We confirm the formation of N,N-diisopropylformamide and N,N-diisopropylamine following decontamination of VX with hypochlorite-based solution, whereas they were not detected in extracts of hydroxide-based decontamination solutions by nuclear magnetic resonance (NMR) spectroscopy or gas chromatography-mass spectrometry. We report the electron ionisation and chemical ionisation mass spectroscopic details, retention indices, and NMR spectra of N,N-diisopropylformamide and N,N-diisopropylamine, as well as analytical methods suitable for their analysis and identification in solvent extracts and decontamination residues.

Self-Decontaminating Fibrous Materials Reactive toward Chemical Threats.

PubMed

Bromberg, Lev; Su, Xiao; Martis, Vladimir; Zhang, Yunfei; Hatton, T Alan

2016-07-13

Polymers that possess highly nucleophilic pyrrolidinopyridine (Pyr) and primary amino (vinylamine, VAm) groups were prepared by free-radical copolymerization of N,N-diallylpyridin-4-amine (DAAP) and N-vinylformamide (NVF) followed by acidic hydrolysis of NVF into VAm. The resulting poly(DAAP-co-VAm-co-NVF) copolymers were water-soluble and reacted with water-dispersible polyurethane possessing a high content of unreacted isocyanate groups. Spray-coating of the nylon-cotton (NYCO), rayon, and poly(p-phenylene terephthalamide) (Kevlar 119) fibers pretreated with phosphoric acid resulted in covalent bonding of the polyurethane with the hydroxyl groups on the fiber surface. A second spray-coating of aqueous solutions of poly(DAAP-co-VAm-co-NVF) on the polyurethane-coated fiber enabled formation of urea linkages between unreacted isocyanate groups of the polyurethane layer and the amino groups of poly(DAAP-co-VAm-co-NVF). Fibers with poly(DAAP-co-VAm-co-NVF) attached were compared with fibers modified by adsorption of water-insoluble poly(butadiene-co-pyrrolidinopyridine) (polyBPP) in terms of the stability against polymer leaching in aqueous washing applications. While the fibers modified by attachment of poly(DAAP-co-VAm-co-NVF) exhibited negligible polymer leaching, over 65% of adsorbed polyBPP detached and leached from the fibers within 7 days. Rayon fibers modified by poly(DAAP-co-VAm-co-NVF) were tested for sorption of dimethyl methylphosphonate (DMMP) in the presence of moisture using dynamic vapor sorption technique. Capability of the fibers modified with poly(DAAP-co-VAm-co-NVF) to facilitate hydrolysis of the sorbed DMMP in the presence of moisture was uncovered. The self-decontaminating property of the modified fibers against chemical threats was tested using a CWA simulant diisopropylfluorophosphate (DFP) in aqueous media at pH 8.7. Fibers modified with poly(DAAP-co-VAm-co-NVF) facilitated hydrolysis of DFP with the half-lives up to an order of magnitude shorter than that of the unmodified fibers. The presented polymers and method of multilayer coating can lead to a development of self-decontaminating textiles and other materials.

Solution of a modified fractional diffusion equation

NASA Astrophysics Data System (ADS)

Langlands, T. A. M.

2006-07-01

Recently, a modified fractional diffusion equation has been proposed [I. Sokolov, J. Klafter, From diffusion to anomalous diffusion: a century after Einstein's brownian motion, Chaos 15 (2005) 026103; A.V. Chechkin, R. Gorenflo, I.M. Sokolov, V.Yu. Gonchar, Distributed order time fractional diffusion equation, Frac. Calc. Appl. Anal. 6 (3) (2003) 259279; I.M. Sokolov, A.V. Checkin, J. Klafter, Distributed-order fractional kinetics, Acta. Phys. Pol. B 35 (2004) 1323.] for describing processes that become less anomalous as time progresses by the inclusion of a second fractional time derivative acting on the diffusion term. In this letter we give the solution of the modified equation on an infinite domain. In contrast to the solution of the traditional fractional diffusion equation, the solution of the modified equation requires an infinite series of Fox functions instead of a single Fox function.

Strategies for an enzyme immobilization on electrodes: Structural and electrochemical characterizations

NASA Astrophysics Data System (ADS)

Ganesh, V.; Muthurasu, A.

2012-04-01

In this paper, we propose various strategies for an enzyme immobilization on electrodes (both metal and semiconductor electrodes). In general, the proposed methodology involves two critical steps viz., (1) chemical modification of substrates using functional monolayers [Langmuir - Blodgett (LB) films and/or self-assembled monolayers (SAMs)] and (2) anchoring of a target enzyme using specific chemical and physical interactions by attacking the terminal functionality of the modified films. Basically there are three ways to immobilize an enzyme on chemically modified electrodes. First method consists of an electrostatic interaction between the enzyme and terminal functional groups present within the chemically modified films. Second and third methods involve the introduction of nanomaterials followed by an enzyme immobilization using both the physical and chemical adsorption processes. As a proof of principle, in this work we demonstrate the sensing and catalytic activity of horseradish peroxidase (HRP) anchored onto SAM modified indium tin oxide (ITO) electrodes towards hydrogen peroxide (H2O2). Structural characterization of such modified electrodes is performed using X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and contact angle measurements. The binding events and the enzymatic reactions are monitored using electrochemical techniques mainly cyclic voltammetry (CV).

Equilibrium isotope effects on noncovalent interactions in a supramolecular host-guest system.

PubMed

Mugridge, Jeffrey S; Bergman, Robert G; Raymond, Kenneth N

2012-02-01

The self-assembled supramolecular complex [Ga(4)L(6)](12-) (1; L = 1,5-bis[2,3-dihydroxybenzamido]naphthalene) can act as a molecular host in aqueous solution and bind cationic guest molecules to its highly charged exterior surface or within its hydrophobic interior cavity. The distinct internal cavity of host 1 modifies the physical properties and reactivity of bound guest molecules and can be used to catalyze a variety of chemical transformations. Noncovalent host-guest interactions in large part control guest binding, molecular recognition and the chemical reactivity of bound guests. Herein we examine equilibrium isotope effects (EIEs) on both exterior and interior guest binding to host 1 and use these effects to probe the details of noncovalent host-guest interactions. For both interior and exterior binding of a benzylphosphonium guest in aqueous solution, protiated guests are found to bind more strongly to host 1 (K(H)/K(D) > 1) and the preferred association of protiated guests is driven by enthalpy and opposed by entropy. Deuteration of guest methyl and benzyl C-H bonds results in a larger EIE than deuteration of guest aromatic C-H bonds. The observed EIEs can be well explained by considering changes in guest vibrational force constants and zero-point energies. DFT calculations further confirm the origins of these EIEs and suggest that changes in low-frequency guest C-H/D vibrational motions (bends, wags, etc.) are primarily responsible for the observed EIEs. © 2011 American Chemical Society

Improved lignin polyurethane properties with Lewis acid treatment.

PubMed

Chung, Hoyong; Washburn, Newell R

2012-06-27

Chemical modification strategies to improve the mechanical properties of lignin-based polyurethanes are presented. We hypothesized that treatment of lignin with Lewis acids would increase the concentration of hydroxyl groups available to react with diisocyanate monomers. Under the conditions used, hydrogen bromide-catalyzed modification resulted in a 28% increase in hydroxyl group content. Associated increases in hydrophilicity of solvent-cast thin films were also recorded as evidenced by decreases in water contact angle. Polyurethanes were then prepared by first preparing a prepolymer based on mixtures of toluene-2,4-diisocyanate (TDI) and unmodified or modified lignin, then polymerization was completed through addition of polyethylene glycol (PEG), resulting in mass ratios of TDI:lignin:PEG of 43:17:40 in the compositions investigated here. The mixture of TDI and unmodified lignin resulted in a lignin powder at the bottom of the liquid, suggesting it did not react directly with TDI. However, a homogeneous solution resulted when TDI and the hydrogen bromide-treated lignin were mixed, suggesting demethylation indeed increased reactivity and resulted in better integration of lignin into the urethane network. Significant improvements in mechanical properties of modified lignin polyurethanes were observed, with a 6.5-fold increase in modulus, which were attributed to better integration of the modified lignin into the covalent polymer network due to the higher concentration of hydroxyl groups. This research indicates that chemical modification strategies can lead to significant improvements in the properties of lignin-based polymeric materials using a higher fraction of an inexpensive lignin monomer from renewable resources and a lower fraction an expensive, petroleum-derived isocyanate monomer to achieve the required material properties.

Kinetics of electrically and chemically induced swelling in polyelectrolyte gels

NASA Astrophysics Data System (ADS)

Grimshaw, P. E.; Nussbaum, J. H.; Grodzinsky, A. J.; Yarmush, M. L.

1990-09-01

Controlled swelling and shrinking of polyelectrolyte gels is useful for regulating the transport of solutes into, out of, and through these materials. A macroscopic continuum model is presented to predict the kinetics of swelling in polyelectrolyte gel membranes induced by augmentation of electrostatic swelling forces arising from membrane fixed charge groups. The model accounts for ionic transport within the membrane, electrodiffusion phenomena, dissociation of membrane charge groups, intramembrane fluid flow, and mechanical deformation of the membrane matrix. Model predictions are compared with measurements of chemically and electrically induced swelling and shrinking in crosslinked polymethacrylic acid (PMAA) membranes. Large, reversible changes in PMAA membrane hydration were observed after changing the bath pH or by applying an electric field to modify the intramembrane ionic environment and fixed charge density. A relatively slow swelling process and more rapid shrinking for both chemical and electrical modulation of the intramembrane pH are observed. The model indicates that retardation of membrane swelling is dominated by diffusion-limited reaction of H+ ions with membrane charge groups, and that the more rapid shrinking is limited primarily by mechanical processes.

Final Report - Montana State University - Microbial Activity and Precipitation at Solution-Solution Mixing Zones in Porous Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerlach, Robin

Background. The use of biological and chemical processes that degrade or immobilize contaminants in subsurface environments is a cornerstone of remediation technology. The enhancement of biological and chemical processes in situ, involves the transport, displacement, distribution and mixing of one or more reactive agents. Biological and chemical reactions all require diffusive transport of solutes to reaction sites at the molecular scale and accordingly, the success of processes at the meter-scale and larger is dictated by the success of phenomena that occur at the micron-scale. However, current understanding of scaling effects on the mixing and delivery of nutrients in biogeochemically dynamicmore » porous media systems is limited, despite the limitations this imposes on the efficiency and effectiveness of the remediation challenges at hand. Objectives. We therefore proposed to experimentally characterize and computationally describe the growth, evolution, and distribution of microbial activity and mineral formation as well as changes in transport processes in porous media that receive two or more reactive amendments. The model system chosen for this project was based on a method for immobilizing 90Sr, which involves stimulating microbial urea hydrolysis with ensuing mineral precipitation (CaCO3), and co-precipitation of Sr. Studies at different laboratory scales were used to visualize and quantitatively describe the spatial relationships between amendment transport and consumption that stimulate the production of biomass and mineral phases that subsequently modify the permeability and heterogeneity of porous media. Biomass growth, activity, and mass deposition in mixing zones was investigated using two-dimensional micro-model flow cells as well as flow cells that could be analyzed using synchrotron-based x-ray tomography. Larger-scale flow-cell experiments were conducted where the spatial distribution of media properties, flow, segregation of biological activity and impact on ancillary constituents (i.e., Sr) was determined. Model simulations accompanied the experimental efforts. Benefits and Outcomes of the Project. The research contributed towards defining the key physical, chemical, and biological processes influencing the form and mobility of DOE priority contaminants (e.g., 60Co, 90Sr, U) in the subsurface. The work conducted and reported herein, will in the future (i) contribute to controlling the juxtaposition of microbial activity, contaminants and amendments, (ii) promote new strategies for delivering amendments, and (iii) allow new approaches for modifying permeability and flow in porous media. We feel that the work has already translated directly to improving the efficiency of amendment based remediation strategies. Products. The results of the project have been published in a number of peer reviewed journal articles. The abstracts and citations to those articles, given in section 2.0 below, make up the bulk of this final report.« less

Hyporheic Passive Flux Meters Reveal Inverse Vertical Zonation and High Seasonality of Nitrogen Processing in an Anthropogenically Modified Stream (Holtemme, Germany)

NASA Astrophysics Data System (ADS)

Kunz, Julia Vanessa; Annable, Michael D.; Rao, Suresh; Rode, Michael; Borchardt, Dietrich

2017-12-01

Transformation and retention of nitrogen and other biologically reactive solutes in the hyporheic zones of running water contribute to an essential ecosystem service. However, the synoptic impact of intense agricultural or urban land-uses, elevated nutrient loading, flow alterations, riparian clear-cutting, and channelization on the source-sink behavior of solutes in hyporheic zones remains largely uncharacterized and unquantified. Therefore, we studied nutrient dynamics in a hydromorphologically and chemically modified stream reach using a new monitoring approach allowing the simultaneous measurement of nutrient and water flux through a screened area in the subsurface of rivers (hyporheic passive flux meter, HPFM). With HPFMs we directly assessed time-integrated lateral hyporheic nitrate fluxes during early spring and midsummer covering different temperature and discharge regimes. Contrary to our expectations, higher stream discharge coincided with substantially lower hyporheic exchange rates. While in streams featuring a natural morphology, bed form induced exchange commonly increases with surface flow, the influence of groundwater level was dominant in this reach. Furthermore, in contrast to less impacted environments, where progressive substrate depletion with depths reduces metabolic rates in the subsurface, we identified not the upper, but the intermediate layer of the hyporheic zone as hot spot of nutrient turnover. Overall, the hyporheic zone at the study site functioned partly as nitrate source, partly as a sink. Neither of the commonly used determinants redox state and residence time could explain this source or sink function. Our results give clear evidence to carefully transfer the knowledge of hyporheic zone processes from "natural" systems to anthropologically modified streams.

Homogeneity of Pb(Zr ,Ti)O3 thin films by chemical solution deposition: Extended x-ray absorption fine structure spectroscopy study of zirconium local environment

NASA Astrophysics Data System (ADS)

Malic, Barbara; Arcon, Iztok; Kodre, Alojz; Kosec, Marija

2006-09-01

Sols for Pb(Zr0.53Ti0.47)O3 (PZT) thin films were prepared by 2-methoxyethanol route from lead acetate, titanium n-propoxide, and zirconium n-propoxide, the latter either unmodified or modified with acetylacetone or acetic acid in a 2/1 molar ratio and deposited on sapphire (0001). By Zr K-edge extended x-ray absorption fine structure (EXAFS) spectroscopy, the structural changes in the Zr local environment, induced by the addition of the two modifiers, were followed from the synthesis of the PZT sol to the transition to the amorphous film. In the unmodified PZT sol segregation of Zr species occurs from the original dimers present in the Zr propoxide solution in 2-methoxyethanol. The immediate neighborhood of Zr atoms changes markedly at the transition from the sol to the amorphous film: the local structure around Zr atoms is similar to the one found in tetragonal zirconia particles. The modification of Zr propoxide with acetylacetone in 2-methoxyethanol results in Zr monomers. In PZT sol, clustering of Zr species is observed continuing into the amorphous film. By modification with acetic acid the original dimeric structure of the Zr precursor is retained in the PZT sol and further in the amorphous film. Selective modification of Zr propoxide with acetic acid therefore results in a more homogeneous distribution of Zr atoms in the PZT sol and amorphous film than in both as-received and acetylacetone-modified Zr propoxide.

Synthesis of Environmentally Friendly Highly Dispersed Magnetite Nanoparticles Based on Rosin Cationic Surfactants as Thin Film Coatings of Steel

PubMed Central

Atta, Ayman M.; El-Mahdy, Gamal A.; Al-Lohedan, Hamad A.; Al-Hussain, Sami A.

2014-01-01

This work presents a new method to prepare monodisperse magnetite nanoparticles capping with new cationic surfactants based on rosin. Core/shell type magnetite nanoparticles were synthesized using bis-N-(3-levopimaric maleic acid adduct-2-hydroxy) propyl-triethyl ammonium chloride (LPMQA) as capping agent. Fourier transform infrared spectroscopy (FTIR) was employed to characterize the nanoparticles chemical structure. Transmittance electron microscopies (TEM) and X-ray powder diffraction (XRD) were used to examine the morphology of the modified magnetite nanoparticles. The magnetite dispersed aqueous acid solution was evaluated as an effective anticorrosion behavior of a hydrophobic surface on steel. The inhibition effect of magnetite nanoparticles on steel corrosion in 1 M HCl solution was investigated using potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS). Results obtained from both potentiodynamic polarisation and EIS measurements reveal that the magnetite nanoparticle is an effective inhibitor for the corrosion of steel in 1.0 M HCl solution. Polarization data show that magnetite nanoparticles behave as a mixed type inhibitor. The inhibition efficiencies obtained from potentiodynamic polarization and EIS methods are in good agreement. PMID:24758936

Utilization of activated carbon produced from fruit juice industry solid waste for the adsorption of Yellow 18 from aqueous solutions.

PubMed

Angin, Dilek

2014-09-01

The use of activated carbon obtained from sour cherry (Prunus cerasus L.) stones for the removal of a basic textile dye, which is Yellow 18, from aqueous solutions at different contact times, pH values and solution temperatures was investigated. The surface area and micropore volume of chemically modified activated carbon were 1704 m(2) g(-1) and 0.984 cm(3) g(-1), respectively. The experimental data indicated that the adsorption isotherms were well described by the Langmuir equilibrium isotherm equation and the calculated adsorption capacity was 75.76 mg g(-1) at 318 K. The adsorption kinetic of Yellow 18 obeys the pseudo-second-order kinetic model. The thermodynamic parameters were calculated to estimate the nature of adsorption. The activation energy of the system was calculated as 0.71-2.36 kJ/mol. According to these results, prepared activated carbon could be used as a low-cost adsorbent to compare with the commercial activated carbon for the removal of Yellow 18 from wastewater. Copyright © 2014 Elsevier Ltd. All rights reserved.

Synthesis of environmentally friendly highly dispersed magnetite nanoparticles based on rosin cationic surfactants as thin film coatings of steel.

PubMed

Atta, Ayman M; El-Mahdy, Gamal A; Al-Lohedan, Hamad A; Al-Hussain, Sami A

2014-04-22

This work presents a new method to prepare monodisperse magnetite nanoparticles capping with new cationic surfactants based on rosin. Core/shell type magnetite nanoparticles were synthesized using bis-N-(3-levopimaric maleic acid adduct-2-hydroxy) propyl-triethyl ammonium chloride (LPMQA) as capping agent. Fourier transform infrared spectroscopy (FTIR) was employed to characterize the nanoparticles chemical structure. Transmittance electron microscopies (TEM) and X-ray powder diffraction (XRD) were used to examine the morphology of the modified magnetite nanoparticles. The magnetite dispersed aqueous acid solution was evaluated as an effective anticorrosion behavior of a hydrophobic surface on steel. The inhibition effect of magnetite nanoparticles on steel corrosion in 1 M HCl solution was investigated using potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS). Results obtained from both potentiodynamic polarisation and EIS measurements reveal that the magnetite nanoparticle is an effective inhibitor for the corrosion of steel in 1.0 M HCl solution. Polarization data show that magnetite nanoparticles behave as a mixed type inhibitor. The inhibition efficiencies obtained from potentiodynamic polarization and EIS methods are in good agreement.

Study of the Microstructure Evolution of Low-pH Cements Based on Ordinary Portland Cement (OPC) by Mid- and Near-Infrared Spectroscopy, and Their Influence on Corrosion of Steel Reinforcement.

PubMed

García Calvo, José Luis; Sánchez Moreno, Mercedes; Alonso Alonso, María Cruz; Hidalgo López, Ana; García Olmo, Juan

2013-06-18

Low-pH cements are designed to be used in underground repositories for high level waste. When they are based on Ordinary Portland Cements (OPC), high mineral admixture contents must be used which significantly modify their microstructure properties and performance. This paper evaluates the microstructure evolution of low-pH cement pastes based on OPC plus silica fume and/or fly ashes, using Mid-Infrared and Near-Infrared spectroscopy to detect cement pastes mainly composed of high polymerized C-A-S-H gels with low C/S ratios. In addition, the lower pore solution pH of these special cementitious materials have been monitored with embedded metallic sensors. Besides, as the use of reinforced concrete can be required in underground repositories, the influence of low-pH cementitious materials on steel reinforcement corrosion was analysed. Due to their lower pore solution pH and their different pore solution chemical composition a clear influence on steel reinforcement corrosion was detected.

Feedback coupling in dynamical systems

NASA Astrophysics Data System (ADS)

Trimper, Steffen; Zabrocki, Knud

2003-05-01

Different evolution models are considered with feedback-couplings. In particular, we study the Lotka-Volterra system under the influence of a cumulative term, the Ginzburg-Landau model with a convolution memory term and chemical rate equations with time delay. The memory leads to a modified dynamical behavior. In case of a positive coupling the generalized Lotka-Volterra system exhibits a maximum gain achieved after a finite time, but the population will die out in the long time limit. In the opposite case, the time evolution is terminated in a crash. Due to the nonlinear feedback coupling the two branches of a bistable model are controlled by the the strength and the sign of the memory. For a negative coupling the system is able to switch over between both branches of the stationary solution. The dynamics of the system is further controlled by the initial condition. The diffusion-limited reaction is likewise studied in case the reacting entities are not available simultaneously. Whereas for an external feedback the dynamics is altered, but the stationary solution remain unchanged, a self-organized internal feedback leads to a time persistent solution.

Method for Non-Invasive Determination of Chemical Properties of Aqueous Solutions

NASA Technical Reports Server (NTRS)

Jones, Alan (Inventor); Thomas, Nathan A. (Inventor); Todd, Paul W. (Inventor)

2016-01-01

A method for non-invasively determining a chemical property of an aqueous solution is provided. The method provides the steps of providing a colored solute having a light absorbance spectrum and transmitting light through the colored solute at two different wavelengths. The method further provides the steps of measuring light absorbance of the colored solute at the two different transmitted light wavelengths, and comparing the light absorbance of the colored solute at the two different wavelengths to determine a chemical property of an aqueous solution.

Process for derivatizing carbon nanotubes with diazonium species and compositions thereof

NASA Technical Reports Server (NTRS)

Bahr, Jeffrey L. (Inventor); Tour, James M. (Inventor); Yang, Jiping (Inventor)

2011-01-01

Methods for the chemical modification of carbon nanotubes involve the derivatization of multi- and single-wall carbon nanotubes, including small diameter (ca. 0.7 nm) single-wall carbon nanotubes, with diazonium species. The method allows the chemical attachment of a variety of organic compounds to the side and ends of carbon nanotubes. These chemically modified nanotubes have applications in polymer composite materials, molecular electronic applications, and sensor devices. The methods of derivatization include electrochemical induced reactions, thermally induced reactions, and photochemically induced reactions. Moreover, when modified with suitable chemical groups, the derivatized nanotubes are chemically compatible with a polymer matrix, allowing transfer of the properties of the nanotubes (such as, mechanical strength or electrical conductivity) to the properties of the composite material as a whole. Furthermore, when modified with suitable chemical groups, the groups can be polymerized to form a polymer that includes carbon nanotubes.

Method for solvent extraction with near-equal density solutions

DOEpatents

Birdwell, Joseph F.; Randolph, John D.; Singh, S. Paul

2001-01-01

Disclosed is a modified centrifugal contactor for separating solutions of near equal density. The modified contactor has a pressure differential establishing means that allows the application of a pressure differential across fluid in the rotor of the contactor. The pressure differential is such that it causes the boundary between solutions of near-equal density to shift, thereby facilitating separation of the phases. Also disclosed is a method of separating solutions of near-equal density.

Perturbed dark and singular optical solitons in polarization preserving fibers by modified simple equation method

NASA Astrophysics Data System (ADS)

Yaşar, Emrullah; Yıldırım, Yakup; Zhou, Qin; Moshokoa, Seithuti P.; Ullah, Malik Zaka; Triki, Houria; Biswas, Anjan; Belic, Milivoj

2017-11-01

This paper obtains optical soliton solution to perturbed nonlinear Schrödinger's equation by modified simple equation method. There are four types of nonlinear fibers studied in this paper. They are Anti-cubic law, Quadratic-cubic law, Cubic-quintic-septic law and Triple-power law. Dark and singular soliton solutions are derived. Additional solutions such as singular periodic solutions also fall out of the integration scheme.

Ion-Conserving Modified Poisson-Boltzmann Theory Considering a Steric Effect in an Electrolyte

NASA Astrophysics Data System (ADS)

Sugioka, Hideyuki

2016-12-01

The modified Poisson-Nernst-Planck (MPNP) and modified Poisson-Boltzmann (MPB) equations are well known as fundamental equations that consider a steric effect, which prevents unphysical ion concentrations. However, it is unclear whether they are equivalent or not. To clarify this problem, we propose an improved free energy formulation that considers a steric limit with an ion-conserving condition and successfully derive the ion-conserving modified Poisson-Boltzmann (IC-MPB) equations that are equivalent to the MPNP equations. Furthermore, we numerically examine the equivalence by comparing between the IC-MPB solutions obtained by the Newton method and the steady MPNP solutions obtained by the finite-element finite-volume method. A surprising aspect of our finding is that the MPB solutions are much different from the MPNP (IC-MPB) solutions in a confined space. We consider that our findings will significantly contribute to understanding the surface science between solids and liquids.

Maltodextrins as chiral selectors in CE: molecular structure effect of basic chiral compounds on the enantioseparation.

PubMed

Tabani, Hadi; Fakhari, Ali Reza; Nojavan, Saeed

2014-10-01

Prediction of chiral separation for a compound using a chiral selector is an interesting and debatable work. For this purpose, in this study 23 chiral basic drugs with different chemical structures were selected as model solutes and the influence of their chemical structures on the enantioseparation in the presence of maltodextrin (MD) as chiral selector was investigated. For chiral separation, a 100-mM phosphate buffer solution (pH 3.0) containing 10% (w/v) MD with dextrose equivalent (DE) of 4-7 as chiral selector at the temperature of 25°C and voltage of 20 kV was used. Under this condition, baseline separation was achieved for nine chiral compounds and partial separation was obtained for another six chiral compounds while no enantioseparation was obtained for the remaining eight compounds. The results showed that the existence of at least two aromatic rings or cycloalkanes and an oxygen or nitrogen atom or -CN group directly bonded to the chiral center are necessary for baseline separation. With the obtained results in this study, chiral separation of a chiral compound can be estimated with MD-modified capillary electrophoresis before analysis. This prediction will minimize the number of preliminary experiments required to resolve enantiomers and will save time and cost. © 2014 Wiley Periodicals, Inc.

Plasmonics-Based Detection of Virus Using Sialic Acid Functionalized Gold Nanoparticles.

PubMed

Lee, Changwon; Wang, Peng; Gaston, Marsha A; Weiss, Alison A; Zhang, Peng

2017-01-01

Biosensor for the detection of virus was developed by utilizing plasmonic peak shift phenomenon of the gold nanoparticles and viral infection mechanism of hemagglutinin on virus and sialic acid on animal cells. The plasmonic peak of the colloidal gold nanoparticles changes with the aggregation of the particles due to the plasmonic interaction between nearby particles and the color of the colloidal nanoparticle solution changes from wine red to purple. Sialic acid reduced and stabilized colloidal gold nanoparticle aggregation is induced by the addition of viral particles in the solution due to the hemagglutinin-sialic acid interaction. In this work, sialic acid reduced and stabilized gold nanoparticles (d = 20.1 ± 1.8 nm) were synthesized by a simple one-pot, green method without chemically modifying sialic acid. The gold nanoparticles showed target-specific aggregation with viral particles via hemagglutinin-sialic acid binding. A linear correlation was observed between the change in optical density and dilution of chemically inactivated influenza B virus species. The detection limit of the virus dilution (hemagglutinination assay titer, 512) was shown to be 0.156 vol% and the upper limit of the linearity can be extended with the use of more sialic acid-gold nanoparticles.

Chlamydia trahomatis in cell culture. I. Comparison of efficiencies of infection in several chemically defined media, at various pH and temperature values, and after exposure to diethylaminoethyl-dextran

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rota, T.R.; Nichols, R.L.

1973-10-01

Three chemically defined cell culture media, Eagle minimum essential medium (MEM) with Earle basal salt solution, Eagle MEM with Hanks basal salt solution, and a modified Eagle MEM, were tested and found capable of supporting the development of Chlamydia trachomatis in /sup 60/Co-treated McCoy cells. The enhancement of trachoma infection by diethylaminoethyl-dextran (DEAE-D) was greater at pH values closer to neutrality than at and other pH values measured at the start of the experiments. Centrifugation of the trachoma inoculum onto cell monolayers at 33 C increased the number of inclusions when compared to centrifugation at 20 C. When the inoculummore » was centrifuged onto cell monolayers and subsequent incubation was at temperatures ranging from 34 to 39 C, the greatest number of inclusions was observed after incubation from 35 through 37 C. Enhancement of the trachoma infection by DEAE-D was tested at temperatures ranging from 35 to 37 C. These cultures had three- to fivefold increases in inclusions when compared to previously reported experiments in which DEAE-D- treated cultures were incubated at 34 C. (auth)« less

Optimization of process variables by response surface methodology for malachite green dye removal using lime peel activated carbon

NASA Astrophysics Data System (ADS)

Ahmad, Mohd Azmier; Afandi, Nur Syahidah; Bello, Olugbenga Solomon

2017-05-01

This study investigates the adsorptive removal of malachite green (MG) dye from aqueous solutions using chemically modified lime-peel-based activated carbon (LPAC). The adsorbent prepared was characterized using FTIR, SEM, Proximate analysis and BET techniques, respectively. Central composite design (CCD) in response surface methodology (RSM) was used to optimize the adsorption process. The effects of three variables: activation temperature, activation time and chemical impregnation ratio (IR) using KOH and their effects on percentage of dye removal and LPAC yield were investigated. Based on CCD design, quadratic models and two factor interactions (2FI) were developed correlating the adsorption variables to the two responses. Analysis of variance (ANOVA) was used to judge the adequacy of the model. The optimum conditions of MG dye removal using LPAC are: activation temperature (796 °C), activation time (1.0 h) and impregnation ratio (2.6), respectively. The percentage of MG dye removal obtained was 94.68 % resulting in 17.88 % LPAC yield. The percentage of error between predicted and experimental results for the removal of MG dye is 0.4 %. Model prediction was in good agreement with experimental results and LPAC was found to be effective in removing MG dye from aqueous solution.

Ammonia gas sensors based on chemically reduced graphene oxide sheets self-assembled on Au electrodes

PubMed Central

2014-01-01

We present a useful ammonia gas sensor based on chemically reduced graphene oxide (rGO) sheets by self-assembly technique to create conductive networks between parallel Au electrodes. Negative graphene oxide (GO) sheets with large sizes (>10 μm) can be easily electrostatically attracted onto positive Au electrodes modified with cysteamine hydrochloride in aqueous solution. The assembled GO sheets on Au electrodes can be directly reduced into rGO sheets by hydrazine or pyrrole vapor and consequently provide the sensing devices based on self-assembled rGO sheets. Preliminary results, which have been presented on the detection of ammonia (NH3) gas using this facile and scalable fabrication method for practical devices, suggest that pyrrole-vapor-reduced rGO exhibits much better (more than 2.7 times with the concentration of NH3 at 50 ppm) response to NH3 than that of rGO reduced from hydrazine vapor. Furthermore, this novel gas sensor based on rGO reduced from pyrrole shows excellent responsive repeatability to NH3. Overall, the facile electrostatic self-assembly technique in aqueous solution facilitates device fabrication, the resultant self-assembled rGO-based sensing devices, with miniature, low-cost portable characteristics and outstanding sensing performances, which can ensure potential application in gas sensing fields. PMID:24917701

Adsorption of BTEX, MTBE and TAME on natural and modified diatomite.

PubMed

Aivalioti, Maria; Papoulias, Panagiotis; Kousaiti, Athanasia; Gidarakos, Evangelos

2012-03-15

The removal of BTEX (benzene, toluene, ethyl-benzene and m-,p-,o-xylenes), MTBE (methyl tertiary butyl ether) and TAME (tertiary amyl methyl ether) from aqueous solutions by raw, thermally, chemically and both chemically and thermally treated diatomite was studied, through batch adsorption experiments. In total, 14 different diatomite samples were created and tested. Selected physical characteristics of the adsorbents, such as specific surface area and pore volume distribution, were determined. Matrix and competitive adsorption effects were also explored. It was proved that the diatomite samples were effective in removing BTEX, MTBE and TAME from aqueous solutions, with the sample treated with HCl being the most effective, as far as its adsorption capacity and equilibrium time are concerned. Among the contaminants, BTEX appeared to have the strongest affinity, based on mass uptake by the diatomite samples. Matrix effects were proved to be strong, significantly decreasing the adsorption of the contaminants onto diatomite. The kinetics data proved a closer fit to the pseudo second order model, while the isotherm experimental data were a better fit to the Freundlich model. However, the latter produced values of the isotherm constant 1/n greater than one, indicating unfavorable adsorption. Copyright © 2011 Elsevier B.V. All rights reserved.

Surface functionalization of 3D glass-ceramic porous scaffolds for enhanced mineralization in vitro

NASA Astrophysics Data System (ADS)

Ferraris, Sara; Vitale-Brovarone, Chiara; Bretcanu, Oana; Cassinelli, Clara; Vernè, Enrica

2013-04-01

Bone reconstruction after tissue loosening due to traumatic, pathological or surgical causes is in increasing demand. 3D scaffolds are a widely studied solution for supporting new bone growth. Bioactive glass-ceramic porous materials can offer a three-dimensional structure that is able to chemically bond to bone. The ability to surface modify these devices by grafting biologically active molecules represents a challenge, with the aim of stimulating physiological bone regeneration with both inorganic and organic signals. In this research work glass ceramic scaffolds with very high mechanical properties and moderate bioactivity have been functionalized with the enzyme alkaline phosphatase (ALP). The material surface was activated in order to expose hydroxyl groups. The activated surface was further grafted with ALP both via silanization and also via direct grafting to the surface active hydroxyl groups. Enzymatic activity of grafted samples were measured by means of UV-vis spectroscopy before and after ultrasonic washing in TRIS-HCl buffer solution. In vitro inorganic bioactivity was investigated by soaking the scaffolds after the different steps of functionalization in a simulated body fluid (SBF). SEM observations allowed the monitoring of the scaffold morphology and surface chemical composition after soaking in SBF. The presence of ALP enhanced the in vitro inorganic bioactivity of the tested material.

The role of Dynamic Energy Budget theory in predictive modeling of stressor impacts on ecological systems. Comment on: ;Physics of metabolic organization; by Marko Jusup et al.

NASA Astrophysics Data System (ADS)

Galic, Nika; Forbes, Valery E.

2017-03-01

Human activities have been modifying ecosystems for centuries, from pressures on wild populations we harvest to modifying habitats through urbanization and agricultural activities. Changes in global climate patterns are adding another layer of, often unpredictable, perturbations to ecosystems on which we rely for life support [1,2]. To ensure the sustainability of ecosystem services, especially at this point in time when the human population is estimated to grow by another 2 billion by 2050 [3], we need to predict possible consequences of our actions and suggest relevant solutions [4,5]. We face several challenges when estimating adverse impacts of our actions on ecosystems. We describe these in the context of ecological risk assessment of chemicals. Firstly, when attempting to assess risk from exposure to chemicals, we base our decisions on a very limited number of species that are easily cultured and kept in the lab. We assume that preventing risk to these species will also protect all of the untested species present in natural ecosystems [6]. Secondly, although we know that chemicals interact with other stressors in the field, the number of stressors that we can test is limited due to logistical and ethical reasons. Similarly, empirical approaches are limited in both spatial and temporal scale due to logistical, financial and ethical reasons [7,8]. To bypass these challenges, we can develop ecological models that integrate relevant life history and other information and make testable predictions across relevant spatial and temporal scales [8-10].

Supersonic flow of chemically reacting gas-particle mixtures. Volume 1: A theoretical analysis and development of the numerical solution

NASA Technical Reports Server (NTRS)

Penny, M. M.; Smith, S. D.; Anderson, P. G.; Sulyma, P. R.; Pearson, M. L.

1976-01-01

A numerical solution for chemically reacting supersonic gas-particle flows in rocket nozzles and exhaust plumes was described. The gas-particle flow solution is fully coupled in that the effects of particle drag and heat transfer between the gas and particle phases are treated. Gas and particles exchange momentum via the drag exerted on the gas by the particles. Energy is exchanged between the phases via heat transfer (convection and/or radiation). Thermochemistry calculations (chemical equilibrium, frozen or chemical kinetics) were shown to be uncoupled from the flow solution and, as such, can be solved separately. The solution to the set of governing equations is obtained by utilizing the method of characteristics. The equations cast in characteristic form are shown to be formally the same for ideal, frozen, chemical equilibrium and chemical non-equilibrium reacting gas mixtures. The particle distribution is represented in the numerical solution by a finite distribution of particle sizes.

Chemical modification of semiconductor surfaces

NASA Technical Reports Server (NTRS)

Finklea, H. O.

1981-01-01

Results of research on the chemical modification of TiO2 powders in the gas phase and the examination of the modified powders by infrared absorption spectroscopy are comprehensively summarized. The range of information obtainable by IR spectroscopy of chemically modified semiconductors, and a definition of the optimum reaction conditions for synthesizing a monolayer of methylsilanes using vapor phase reaction conditions were considered.

Impact of High Concentration Solutions on Hydraulic Properties of Geosynthetic Clay Liner Materials

PubMed Central

Xue, Qiang; Zhang, Qian; Liu, Lei

2012-01-01

This study focuses on the impact of landfill high concentration solutions erosion on geosynthetic clay liner (GCL) materials permeability. The permeation tests on the GCL, submerged using different kinds of solutions with different concentrations, were carried out systematically by taking these chemical solutions as permeant liquids. Based on seasonal variations of ion concentrations in Chenjiachong landfill leachate (Wuhan Province), CaCl2, MgCl2, NaCl, and KCl were selected as chemical attack solutions to carry out experimental investigations under three concentrations (50 mM, 100 mM, 200 mM) and soak times (5, 10, and 20 days). The variation law of the GCL hydraulic conductivity under different operating conditions was analyzed. The relationship between GCL hydraulic conductivity, chemical solutions categories, concentrations, and soak times were further discussed. The GCL hydraulic conductivity, when soaked and permeated with high concentration chemical solutions, increases several times or exceeds two orders of magnitude, as compared with the permeation test under normal conditions that used water as the permeant liquid. This reveals that GCL is very susceptible to chemical attack. For four chemical solutions, the chemical attack effect on GCL hydraulic conductivity is CaCl2 > MgCl2 > KCl > NaCl. The impact of soak times on GCL hydraulic conductivity is the cooperative contribution of the liner chemical attack reaction and hydration swelling. A longer soak time results in a more advantageous hydration swelling effect. The chemical attack reaction restrains the hydration swelling of the GCL. Moreover, the GCL hydraulic conductivity exponentially decreases with the increased amplitude of thickness.

X-ray Absorption Spectroscopic Characterization of the Synthesis Process: Revealing the Interactions in Cetyltrimethylammonium Bromide-Modified Sulfur–Graphene Oxide Nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye, Yifan; Kawase, Ayako; Song, Min-Kyu

In this paper, we have investigated the chemical bonding interaction of S in a CTAB (cetyltrimethylammonium bromide, CH 3(CH 2) 15N +(CH 3) 3Br –)-modified sulfur–graphene oxide (S–GO) nanocomposite used as the cathode material for Li/S cells by S K-edge X-ray absorption spectroscopy (XAS). The results show that the introduction of CTAB to the S–GO nanocomposite and changes in the synthesis recipe including alteration of the S precursor ratios and the sequence of mixing ingredients lead to the formation of different S species. CTAB modifies the cathode materials through bonding with Na 2S x in the precursor solution, which ismore » subsequently converted to C–S bonds during the heat treatment at 155 °C. Moreover, GO bonds with CTAB and acts as the nucleation center for S precipitation. Finally, all these interactions among S, CTAB, and GO help to immobilize the sulfur in the cathode and may be responsible for the enhanced cell cycle life of CTAB–S–GO nanocomposite-based Li/S cells.« less

Physicochemical Characteristics of Artificial Rice from Composite Flour: Modified Cassava Starch, Canavalia ensiformis and Dioscorea esculenta

NASA Astrophysics Data System (ADS)

Sumardiono, Siswo; Pudjihastuti, Isti; Handayani, Noer Abyor; Kusumayanti, Heny

2018-02-01

Indonesia is the third largest country on the global paddy rice production and also considered as a rice importer. Even, Indonesia has the biggest per capita consumption of paddy rice (140 kg of paddy rice per person per year). Product diversification using local commodities. Artificial rice is potential to be developed as a new value product using different types of grains. It is one of appropriate solutions for reducing imported rice rate. Artificial rice was produced using high nutrition composite flours (modified cassava starch, corn, Canavalian ensiformis, and Dioscorea esculenta). This study consists of three main stages, preparation of composite flour, formulation, and artificial rice production using hot extruder capacity 10 kg/day. The objectives of this studies were to investigate some formulation in compare with commercial paddy rice. Artificial rice has been successfully conducted using prototype of hot extruder with the temperature 95°C. Physical analyses (color and water absorption) were carried out to artificial rice product and commercial paddy rice. Chemical analyses (nutrition and amylose content) of product will be also presented in this study. The best formulation of artificial rice was achieved in 80% modified cassava starch, 10% Canavalian ensiformis, and 10% Dioscorea esculenta, respectively.

Spectroscopic analysis of the powdery complex chitosan-iodine

NASA Astrophysics Data System (ADS)

Gegel, Natalia O.; Babicheva, Tatyana S.; Belyakova, Olga A.; Lugovitskaya, Tatyana N.; Shipovskaya, Anna B.

2018-04-01

A chitosan-iodine complex was obtained by modification of polymer powder in the vapor of an iodine-containing sorbate and studied by electron and IR spectroscopy, optical rotation dispersion. It was found that the electronic spectra of an aqueous solution of the modified chitosan (the source one and that stored for a year) showed intense absorption bands of triiodide and iodate ions, and also polyiodide ions, bound to the macromolecule by exciton bonding with charge transfer. Analysis of the IR spectra shows destruction of the network of intramolecular and intermolecular hydrogen bonds in the iodinated chitosan powder in comparison with the source polymer and the formation of a new chemical substance. E.g., the absorption band of deformation vibrations of the hydroxyl group disappears in the modified sample, and that of the protonated amino group shifts toward shorter wavelengths. The intensity of the stretching vibration band of the glucopyranose ring atoms significantly reduces. Heating of the modified sample at a temperature below the thermal degradation point of the polymer leads to stabilization of the chitosan-iodine complex. Based on our studies, the hydroxyl and amino groups of the aminopolysaccharide have been recognized as the centers of retention of polyiodide chains in the chitosan matrix.

A novel carbon electrode material for highly improved EDLC performance.

PubMed

Fang, Baizeng; Binder, Leo

2006-04-20

Porous materials, developed by grafting functional groups through chemical surface modification with a surfactant, represent an innovative concept in energy storage. This work reports, in detail, the first practical realization of a novel carbon electrode based on grafting of vinyltrimethoxysilane (vtmos) functional group for energy storage in electric double layer capacitor (EDLC). Surface modification with surfactant vtmos enhances the hydrophobisation of activated carbon and the affinity toward propylene carbonate (PC) solvent, which improves the wettability of activated carbon in the electrolyte solution based on PC solvent, resulting in not only a lower resistance to the transport of electrolyte ions within micropores of activated carbon but also more usable surface area for the formation of electric double layer, and accordingly, higher specific capacitance, energy density, and power capability available from the capacitor based on modified carbon. Especially, the effects from surface modification become superior at higher discharge rate, at which much better EDLC performance (i.e., much higher energy density and power capability) has been achieved by the modified carbon, suggesting that the modified carbon is a novel and very promising electrode material of EDLC for large current applications where both high energy density and power capability are required.

X-ray Absorption Spectroscopic Characterization of the Synthesis Process: Revealing the Interactions in Cetyltrimethylammonium Bromide-Modified Sulfur–Graphene Oxide Nanocomposites

DOE PAGES

Ye, Yifan; Kawase, Ayako; Song, Min-Kyu; ...

2016-04-22

In this paper, we have investigated the chemical bonding interaction of S in a CTAB (cetyltrimethylammonium bromide, CH 3(CH 2) 15N +(CH 3) 3Br –)-modified sulfur–graphene oxide (S–GO) nanocomposite used as the cathode material for Li/S cells by S K-edge X-ray absorption spectroscopy (XAS). The results show that the introduction of CTAB to the S–GO nanocomposite and changes in the synthesis recipe including alteration of the S precursor ratios and the sequence of mixing ingredients lead to the formation of different S species. CTAB modifies the cathode materials through bonding with Na 2S x in the precursor solution, which ismore » subsequently converted to C–S bonds during the heat treatment at 155 °C. Moreover, GO bonds with CTAB and acts as the nucleation center for S precipitation. Finally, all these interactions among S, CTAB, and GO help to immobilize the sulfur in the cathode and may be responsible for the enhanced cell cycle life of CTAB–S–GO nanocomposite-based Li/S cells.« less

An Algorithm for Automatically Modifying Train Crew Schedule

NASA Astrophysics Data System (ADS)

Takahashi, Satoru; Kataoka, Kenji; Kojima, Teruhito; Asami, Masayuki

Once the break-down of the train schedule occurs, the crew schedule as well as the train schedule has to be modified as quickly as possible to restore them. In this paper, we propose an algorithm for automatically modifying a crew schedule that takes all constraints into consideration, presenting a model of the combined problem of crews and trains. The proposed algorithm builds an initial solution by relaxing some of the constraint conditions, and then uses a Taboo-search method to revise this solution in order to minimize the degree of constraint violation resulting from these relaxed conditions. Then we show not only that the algorithm can generate a constraint satisfaction solution, but also that the solution will satisfy the experts. That is, we show the proposed algorithm is capable of producing a usable solution in a short time by applying to actual cases of train-schedule break-down, and that the solution is at least as good as those produced manually, by comparing the both solutions with several point of view.

PGE1, dexamethasone, U-74389G, or Bt2-cAMP as an additive to promote protection by UW solution in I/R injury.

PubMed

Chiang, C H; Hsu, K; Yan, H C; Harn, H J; Chang, D M

1997-08-01

A method to reduce ischemia-reperfusion (I/R) injury can be an important criterion to improve the preservation solution. Although University of Wisconsin solution (UW) works as a lung preservation solution, its attenuation effect on I/R injury has not been investigated. We attempted to determine whether, by adding various protective agents, modified UW solutions will enhance the I/R attenuation by UW. We examined the I/R injury in an isolated rat lung model. Various solutions, e.g., physiological salt solution (PSS), UW, and modified UW solutions containing various protective agents such as prostaglandin E1, dexamethasone, U-74389G, or dibutyryl adenosine 3',5'-cyclic monophosphate were perfused individually to evaluate the I/R injury. Isolated rat lung experiments, with ischemia for 45 min, then reperfusion for 60 min, were conducted in a closed circulating system. Hemodynamic changes, lung weight gain (LWG), capillary filtration coefficient (Kfc), protein content of lavage fluid, concentration of cytokines, and lung histopathology were analyzed. Results showed that the acute I/R lung injury with immediate permeability pulmonary edema was associated with an increase in tumor necrosis factor-alpha (TNF-alpha) production. A significant correlation existed between TNF-alpha and Kfc (r = 0.8, P < 0.0001) and TNF-alpha and LWG (r = 0. 9, P < 0.0001), indicating that TNF-alpha is an important cytokine modulating early I/R injury. Significantly lower levels of Kfc, LWG, TNF-alpha, and protein concentration of lung lavage (P < 0.05) were found in the UW-perfused group than in the control group perfused with PSS. Modified UW promoted the protective effect of UW to further decrease Kfc, LWG, and TNF-alpha (P < 0.05). Histopathological observations also substantiated this evidence. In the UW+U-74389G group, bronchial alveolar lavage fluid contained lowest protein concentration. We conclude that the UW solution attenuates I/R injury of rat lung and that the modified UW solutions further enhance the effect of UW in reducing I/R injury. Among modified solutions, UW+U-74389G is the best. Further investigation of the improved effects of the modified UW solutions would be beneficial in lung transplantation.

Investigation of Different Colloidal Porous Silicon Solutions and Their Composite Solid Matrix Rods by Optical Techniques

NASA Astrophysics Data System (ADS)

Khan, M. Naziruddin; Aldalbahi, Ali; Almohammedi, Abdullah

2018-03-01

Colloidal porous silicon (PSi) in different solvents was synthesized by simple chemical etching. Colloidal solutions were then prepared using different quantities of silicon wafer pieces (Pcs) and chloroplatinic (Pt) acid in catalyst solution. The effect on the properties of the colloidal solutions and composite rods were investigated using various optical characterization techniques. Absorption and photoluminescence (PL) intensity of the colloidal PSi solutions are observed to depend on the quantity of wafer Pcs, the Pt-solution, and the porosity formation on the wafer surface. The morphological structure of the PSi in a solvent and the solid-rod environments were studied using field-emission scanning electron microscopy (FE-SEM) and were observed to have different structures. A mono-oriented structure of PSi exists in tetrahydrofuran, which has stereo orientation in dioxane and dimethylsulfoxide (approximately 5-8 nm as confirmed using high resolution transmission electron microscopy). Subsequently, some colloidal PSi solutions were directly embedded in three types of sol-gel-based matrices, silica, ormosils (or organically modified silica) and polymer, which easily generated solid rods. Spontaneous emission (SE) of the PSi solutions and their composite rods were examined using a high power picosecond 355 nm laser source. The emitted PL and SE signals of the colloidal PSi solutions were dependent on the Pt volume, nature of the solvent, quantity of Si wafer piece, and pumping energy. The response of SE signals from the PSi composites rods is an interesting phenomenon, and such nanocomposites may be used for future research on light amplification.

Investigation of Different Colloidal Porous Silicon Solutions and Their Composite Solid Matrix Rods by Optical Techniques

NASA Astrophysics Data System (ADS)

Khan, M. Naziruddin; Aldalbahi, Ali; Almohammedi, Abdullah

2018-07-01

Colloidal porous silicon (PSi) in different solvents was synthesized by simple chemical etching. Colloidal solutions were then prepared using different quantities of silicon wafer pieces (Pcs) and chloroplatinic (Pt) acid in catalyst solution. The effect on the properties of the colloidal solutions and composite rods were investigated using various optical characterization techniques. Absorption and photoluminescence (PL) intensity of the colloidal PSi solutions are observed to depend on the quantity of wafer Pcs, the Pt-solution, and the porosity formation on the wafer surface. The morphological structure of the PSi in a solvent and the solid-rod environments were studied using field-emission scanning electron microscopy (FE-SEM) and were observed to have different structures. A mono-oriented structure of PSi exists in tetrahydrofuran, which has stereo orientation in dioxane and dimethylsulfoxide (approximately 5-8 nm as confirmed using high resolution transmission electron microscopy). Subsequently, some colloidal PSi solutions were directly embedded in three types of sol-gel-based matrices, silica, ormosils (or organically modified silica) and polymer, which easily generated solid rods. Spontaneous emission (SE) of the PSi solutions and their composite rods were examined using a high power picosecond 355 nm laser source. The emitted PL and SE signals of the colloidal PSi solutions were dependent on the Pt volume, nature of the solvent, quantity of Si wafer piece, and pumping energy. The response of SE signals from the PSi composites rods is an interesting phenomenon, and such nanocomposites may be used for future research on light amplification.

Effectiveness of modified White's solution at removing ascomycetes associated with the bark beetle Ips pini

Treesearch

B.J. Kopper; Kier D. Klepzig; K.F. Raffa

2003-01-01

Modified White's solution (1 g HgCl2/l H2O) is widely used to surface disinfest bark beetles of their phoretic fungi. We investigated the effectiveness of this solution at disinfesting adult Ips pini from its associated ophiostomatoid fungi. A treatment for 1, 4 or 8 min does not completely rid...

Kinetics and thermodynamics of Pb(II) adsorption onto modified spent grain from aqueous solutions

NASA Astrophysics Data System (ADS)

Li, Qingzhu; Chai, Liyuan; Yang, Zhihui; Wang, Qingwei

2009-01-01

Spent grain, a main by-product of the brewing industry, is available in large quantities, but its main application has been limited to animal feeding. Nevertheless, in this study, spent grain modified with 1 M NaCl solution as a novel adsorbent has been used for the adsorption of Pb(II) in aqueous solutions. Isotherms, kinetics and thermodynamics of Pb(II) adsorption onto modified spent grain were studied. The equilibrium data were well fitted with Langmuir, Freundlich and Dubinin-Radushkevick (D-R) isotherm models. The kinetics of Pb(II) adsorption followed pseudo-second-order model, using the rate constants of pseudo-second-order model, the activation energy ( Ea) of Pb(II) adsorption was determined as 12.33 kJ mol -1 according to the Arrhenius equation. Various thermodynamic parameters such as Δ Gads, Δ Hads and Δ Sads were also calculated. Thermodynamic results indicate that Pb(II) adsorption onto modified spent grain is a spontaneous and endothermic process. Therefore, it can be concluded that modified spent grain as a new effective adsorbent has potential for Pb(II) removal from aqueous solutions.

Citric acid modified kenaf core fibres for removal of methylene blue from aqueous solution.

PubMed

Sajab, Mohd Shaiful; Chia, Chin Hua; Zakaria, Sarani; Jani, Saad Mohd; Ayob, Mohd Khan; Chee, Kah Leong; Khiew, Poi Sim; Chiu, Wee Siong

2011-08-01

Chemically modified kenaf core fibres were prepared via esterification in the presence of citric acid (CA). The adsorption kinetics and isotherm studies were carried out under different conditions to examine the adsorption efficiency of CA-treated kenaf core fibres towards methylene blue (MB). The adsorption capacity of the kenaf core fibres increased significantly after the citric acid treatment. The values of the correlation coefficients indicated that the Langmuir isotherm fitted the experimental data better than the Freundlich isotherm. The maximum adsorption capacity of the CA-treated kenaf core fibres was found to be 131.6mg/g at 60°C. Kinetic models, pseudo-first-order, pseudo-second-order and intraparticle diffusion, were employed to describe the adsorption mechanism. The kinetic data were found to fit pseudo-second-order model equation as compared to pseudo-first-order model. The adsorption of MB onto the CA-treated kenaf core fibres was spontaneous and endothermic. Copyright © 2011 Elsevier Ltd. All rights reserved.

Visible light assisted photodecolorization of eosin-Y in aqueous solution using hesperidin modified TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Vignesh, K.; Suganthi, A.; Rajarajan, M.; Sakthivadivel, R.

2012-03-01

Hesperidin a flavanoid, modified TiO2 nanoparticles (Hes-TiO2) was synthesized to improve the visible light driven photocatalytic performance of TiO2. The synthesized nanoparticles were characterized by UV-visible diffuse reflectance spectroscopy (UV-vis-DRS), FT-IR, powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The photocatalytic activity of Hes-TiO2 was investigated based on the decolorization of eosin-Y under visible light irradiation. Hes-TiO2 showed high efficiency for the decolorization of eosin-Y. The influences of various reaction parameters like effect of pH, catalyst dosage and initial dye concentration on the photocatalytic efficiency were investigated. The adsorption of eosin-Y on Hes-TiO2 was found favorable by the Langmuir approach. The removal percentage of chemical oxygen demand (COD) was determined to evaluate the mineralization of eosin-Y during photodecolorization. Based on the intermediates obtained in the GC-MS spectroscopic technique, a probable degradation mechanism has been proposed.

A mass spectrometry-based method for comprehensive quantitative determination of post-transcriptional RNA modifications: the complete chemical structure of Schizosaccharomyces pombe ribosomal RNAs

PubMed Central

Taoka, Masato; Nobe, Yuko; Hori, Masayuki; Takeuchi, Aiko; Masaki, Shunpei; Yamauchi, Yoshio; Nakayama, Hiroshi; Takahashi, Nobuhiro; Isobe, Toshiaki

2015-01-01

We present a liquid chromatography–mass spectrometry (LC-MS)-based method for comprehensive quantitative identification of post-transcriptional modifications (PTMs) of RNA. We incorporated an in vitro-transcribed, heavy isotope-labeled reference RNA into a sample RNA solution, digested the mixture with a number of RNases and detected the post-transcriptionally modified oligonucleotides quantitatively based on shifts in retention time and the MS signal in subsequent LC-MS. This allowed the determination and quantitation of all PTMs in Schizosaccharomyces pombe ribosomal (r)RNAs and generated the first complete PTM maps of eukaryotic rRNAs at single-nucleotide resolution. There were 122 modified sites, most of which appear to locate at the interface of ribosomal subunits where translation takes place. We also identified PTMs at specific locations in rRNAs that were altered in response to growth conditions of yeast cells, suggesting that the cells coordinately regulate the modification levels of RNA. PMID:26013808

Study on kinetics of adsorption of humic acid modified by ferric chloride on U(VI)

NASA Astrophysics Data System (ADS)

Zhang, Y. Y.; Lv, J. W.; Song, Y.; Dong, X. J.; Fang, Q.

2017-11-01

In order to reveal the adsorption mechanism of the ferric chloride modified humic acid on uranium, the influence of pH value and contact time of adsorption on uranium was studied through a series of batch experiments. Meanwhile, the adsorption kinetics was analyzed with pseudo-first order kinetic model and pseudo-second order kinetic model. The results show that adsorption is affected by the pH value of the solution and by contract time, and the best condition for adsorption on uranium is at pH=5 and the adsorption equilibrium time is about 80 min. Kinetics of HA-Fe adsorption on uranium accords with pseudo-second order kinetic model. The adsorption is mainly chemical adsorption, and complexes were produced by the reaction between uranium ions and the functional groups on the surface of HA-Fe, which can provide reference for further study of humic acid effecting on the migration of U(VI) in soil.

Interstitial modification of palladium nanoparticles with boron atoms as a green catalyst for selective hydrogenation

NASA Astrophysics Data System (ADS)

Chan, Chun Wong Aaron; Mahadi, Abdul Hanif; Li, Molly Meng-Jung; Corbos, Elena Cristina; Tang, Chiu; Jones, Glenn; Kuo, Winson Chun Hsin; Cookson, James; Brown, Christopher Michael; Bishop, Peter Trenton; Tsang, Shik Chi Edman

2014-12-01

Lindlar catalysts comprising of palladium/calcium carbonate modified with lead acetate and quinoline are widely employed industrially for the partial hydrogenation of alkynes. However, their use is restricted, particularly for food, cosmetic and drug manufacture, due to the extremely toxic nature of lead, and the risk of its leaching from catalyst surface. In addition, the catalysts also exhibit poor selectivities in a number of cases. Here we report that a non-surface modification of palladium gives rise to the formation of an ultra-selective nanocatalyst. Boron atoms are found to take residence in palladium interstitial lattice sites with good chemical and thermal stability. This is favoured due to a strong host-guest electronic interaction when supported palladium nanoparticles are treated with a borane tetrahydrofuran solution. The adsorptive properties of palladium are modified by the subsurface boron atoms and display ultra-selectivity in a number of challenging alkyne hydrogenation reactions, which outclass the performance of Lindlar catalysts.

Organic palladium and palladium-magnesium chemical modifiers in direct determination of lead in fractions from distillation of crude oil by electrothermal atomic absorption analysis

NASA Astrophysics Data System (ADS)

Kowalewska, Zofia; Bulska, Ewa; Hulanicki, Adam

1999-05-01

Platinum reforming catalysts are easily poisoned by increased levels of lead, therefore a sensitive atomic absorption spectrometric procedure for lead determination in fractions from crude oil distillation was developed. Lead was present in organic form in the samples analysed therefore the behaviour of various lead compounds (Pb-alkylarylsulphonate, Pb-4-cyclohexanobutyrate, tetraethyllead, Pb in fuel oil) was studied. The best procedure for the determination of lead in different petroleum products, including those containing asphaltenes includes a pretreatment with iodine and methyltrioctylammonium chloride, followed by the use of an organic Pd-Mg modifier. Under these conditions an effective matrix removal is possible at a pyrolysis temperature up to approximately 1100°C and the behaviour of lead present in different forms is unified. The characteristic mass is 11-12 pg Pb, corresponding to a detection limit of 0.25 ng g -1 for 20 μl sample solution. This can be lowered by multiple injection.

Polypyrrole Coated Cellulosic Substrate Modified by Copper Oxide as Electrode for Nitrate Electroreduction

NASA Astrophysics Data System (ADS)

Hamam, A.; Oukil, D.; Dib, A.; Hammache, H.; Makhloufi, L.; Saidani, B.

2015-08-01

The aim of this work is to synthesize polypyrrole (PPy) films on nonconducting cellulosic substrate and modified by copper oxide particles for use in the nitrate electroreduction process. Firstly, the chemical polymerization of polypyrrole onto cellulosic substrate is conducted by using FeCl3 as an oxidant and pyrrole as monomer. The thickness and topography of the different PPy films obtained were estimated using a profilometer apparatus. The electrochemical reactivity of the obtained electrodes was tested by voltamperometry technique and electrochemical impedance spectroscopy. Secondly, the modification of the PPy film surface by incorporation of copper oxide particles is conducted by applying a galvanostatic procedure from a CuCl2 solution. The SEM, EDX and XRD analysis showed the presence of CuO particles in the polymer films with dimensions less than 50 nm. From cyclic voltamperometry experiments, the composite activity for the nitrate electroreduction reaction was evaluated and the peak of nitrate reduction is found to vary linearly with initial nitrate concentration.

Chemical Changes in Nonthermal Plasma-Treated N-Acetylcysteine (NAC) Solution and Their Contribution to Bacterial Inactivation.

PubMed

Ercan, Utku K; Smith, Josh; Ji, Hai-Feng; Brooks, Ari D; Joshi, Suresh G

2016-02-02

In continuation of our previous reports on the broad-spectrum antimicrobial activity of atmospheric non-thermal dielectric barrier discharge (DBD) plasma treated N-Acetylcysteine (NAC) solution against planktonic and biofilm forms of different multidrug resistant microorganisms, we present here the chemical changes that mediate inactivation of Escherichia coli. In this study, the mechanism and products of the chemical reactions in plasma-treated NAC solution are shown. UV-visible spectrometry, FT-IR, NMR, and colorimetric assays were utilized for chemical characterization of plasma treated NAC solution. The characterization results were correlated with the antimicrobial assays using determined chemical species in solution in order to confirm the major species that are responsible for antimicrobial inactivation. Our results have revealed that plasma treatment of NAC solution creates predominantly reactive nitrogen species versus reactive oxygen species, and the generated peroxynitrite is responsible for significant bacterial inactivation.

Chemical Changes in Nonthermal Plasma-Treated N-Acetylcysteine (NAC) Solution and Their Contribution to Bacterial Inactivation

PubMed Central

Ercan, Utku K.; Smith, Josh; Ji, Hai-Feng; Brooks, Ari D.; Joshi, Suresh G.

2016-01-01

In continuation of our previous reports on the broad-spectrum antimicrobial activity of atmospheric non-thermal dielectric barrier discharge (DBD) plasma treated N-Acetylcysteine (NAC) solution against planktonic and biofilm forms of different multidrug resistant microorganisms, we present here the chemical changes that mediate inactivation of Escherichia coli. In this study, the mechanism and products of the chemical reactions in plasma-treated NAC solution are shown. UV-visible spectrometry, FT-IR, NMR, and colorimetric assays were utilized for chemical characterization of plasma treated NAC solution. The characterization results were correlated with the antimicrobial assays using determined chemical species in solution in order to confirm the major species that are responsible for antimicrobial inactivation. Our results have revealed that plasma treatment of NAC solution creates predominantly reactive nitrogen species versus reactive oxygen species, and the generated peroxynitrite is responsible for significant bacterial inactivation. PMID:26832829

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p-Aminobenzoic Acid.

PubMed

Stevens, Joanna S; Gainar, Adrian; Suljoti, Edlira; Xiao, Jie; Golnak, Ronny; Aziz, Emad F; Schroeder, Sven L M

2015-05-04

Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO-LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs and σ* shape resonances in the NEXAFS spectra. This provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute-solvent interactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coupled bending-torsion steady-state response of pretwisted, nonuniform rotating beams using a transfer-matrix method

NASA Technical Reports Server (NTRS)

Gray, Carl E., Jr.

1988-01-01

Using the Newtonian method, the equations of motion are developed for the coupled bending-torsion steady-state response of beams rotating at constant angular velocity in a fixed plane. The resulting equations are valid to first order strain-displacement relationships for a long beam with all other nonlinear terms retained. In addition, the equations are valid for beams with the mass centroidal axis offset (eccentric) from the elastic axis, nonuniform mass and section properties, and variable twist. The solution of these coupled, nonlinear, nonhomogeneous, differential equations is obtained by modifying a Hunter linear second-order transfer-matrix solution procedure to solve the nonlinear differential equations and programming the solution for a desk-top personal computer. The modified transfer-matrix method was verified by comparing the solution for a rotating beam with a geometric, nonlinear, finite-element computer code solution; and for a simple rotating beam problem, the modified method demonstrated a significant advantage over the finite-element solution in accuracy, ease of solution, and actual computer processing time required to effect a solution.

Modified equations, rational solutions, and the Painleve property for the Kadomtsev--Petviashvili and Hirota--Satsuma equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weiss, J.

1985-09-01

We propose a method for finding the Lax pairs and rational solutions of integrable partial differential equations. That is, when an equation possesses the Painleve property, a Baecklund transformation is defined in terms of an expansion about the singular manifold. This Baecklund transformation obtains (1) a type of modified equation that is formulated in terms of Schwarzian derivatives and (2) a Miura transformation from the modified to the original equation. By linearizing the (Ricati-type) Miura transformation the Lax pair is found. On the other hand, consideration of the (distinct) Baecklund transformations of the modified equations provides a method for themore » iterative construction of rational solutions. This also obtains the Lax pairs for the modified equations. In this paper we apply this method to the Kadomtsev--Petviashvili equation and the Hirota--Satsuma equations.« less

Apparatus for chemical synthesis

DOEpatents

Kong, Peter C [Idaho Falls, ID; Herring, J Stephen [Idaho Falls, ID; Grandy, Jon D [Idaho Falls, ID

2011-05-10

A method and apparatus for forming a chemical hydride is described and which includes a pseudo-plasma-electrolysis reactor which is operable to receive a solution capable of forming a chemical hydride and which further includes a cathode and a movable anode, and wherein the anode is moved into and out of fluidic, ohmic electrical contact with the solution capable of forming a chemical hydride and which further, when energized produces an oxygen plasma which facilitates the formation of a chemical hydride in the solution.

Method and apparatus for chemical synthesis

DOEpatents

Kong; Peter C. , Herring; J. Stephen , Grandy; Jon D.

2007-12-04

A method and apparatus for forming a chemical hydride is described and which includes a pseudo-plasma-electrolysis reactor which is operable to receive a solution capable of forming a chemical hydride and which further includes a cathode and a movable anode, and wherein the anode is moved into and out of fluidic, ohmic electrical contact with the solution capable of forming a chemical hydride and which further, when energized produces an oxygen plasma which facilitates the formation of a chemical hydride in the solution.

Equilibrium, Kinetic, and Thermodynamic Studies on the Adsorption of Cadmium from Aqueous Solution by Modified Biomass Ash

PubMed Central

Zheng, Xuebo; Cui, Hongbiao; Zhu, Zhenqiu; Liang, Jiani

2017-01-01

Natural biomass ash of agricultural residuals was collected from a power plant and modified with hexagonal mesoporous silica and functionalized with 3-aminopropyltriethoxysilane. The physicochemical and morphological properties of the biomass ash were analyzed by ICP-OES, SEM, TEM-EDS, FTIR, and BET analysis. The adsorption behavior of the modified product for Cd2+ in aqueous solution was studied as a function of pH, initial metal concentration, equilibrium time, and temperature. Results showed that the specific surface area of the modified product was 9 times that of the natural biomass ash. The modified biomass ash exhibited high affinity for Cd2+ and its adsorption capacity increased sharply with increasing pH from 4.0 to 6.0. The maximum adsorption capacity was 23.95 mg/g in a pH 5 solution with an initial metal concentration of 50 mg/L and a contact time of 90 min. The adsorption of Cd2+ onto the modified biomass ash was well fitted to the Langmuir model and it followed pseudo-second-order kinetics. Thermodynamic analysis results showed that the adsorption of Cd2+ was spontaneous and endothermic in nature. The results suggest that the modified biomass ash is promising for use as an inexpensive and effective adsorbent for Cd2+ removal from aqueous solution. PMID:28348509

Wet cleaning and surface characterization of Si 1- xGe x virtual substrates after a CMP step

NASA Astrophysics Data System (ADS)

Abbadie, A.; Hartmann, J. M.; Besson, P.; Rouchon, D.; Martinez, E.; Holliger, P.; Di Nardo, C.; Campidelli, Y.; Billon, T.

2008-08-01

New reactants such as ozone dissolved in ultra-pure water have been widely used the last few years instead of the original Radio Corporation of America (RCA) cleaning (which is a combination of the Standard Cleaning 1 (SC1) and the Standard Cleaning 2 (SC2)). In a first part of the study (Microelectron. Eng. 83 (2006) 1986), we had quantified the efficiency of a new cleaning sequence (that calls upon HF and H 2O/O 3 solutions) on polished Si 1- xGe x virtual substrates ( x = 0.2-0.5). We are discussing here the surface morphology and wetability together with the oxide thickness and structure typically obtained after this so-called "DDC-SiGe" wet cleaning. Flat surface morphologies are found after cleaning whatever the Ge content (from 20 to 50%). Typical root mean square roughness is around 0.4 nm. We have used X-ray Photoelectron Spectroscopy to determine the characteristics of the surface termination after this "DDC-SiGe" cleaning. An oxide mainly composed of SiO 2 is formed, with a low fraction of Ge sub-oxide and GeO 2. The distribution of chemical species is not that different from the one obtained after the use of a SC1 cleaning. However, the chemical oxide formed is slightly thicker. Such a HF/O 3 cleaning leads, when used on thick Ge layers grown on Si, to the formation of a really thin Ge sub-oxide. Our oxidation model assumes a competition in O 3 solutions between the oxidation rates of Si and Ge atoms (faster for Si) and the dissolution of the Ge oxide formed in solution. This mechanism, which implies the formation of a slightly porous oxide, is different from the one seeming to occur in SC1-based solutions. Indeed, the addition of surfactant in a SC1 solution modifies the oxidation rate compared to standard SC1 or O 3-based solutions, suggesting a diffusion of reactants towards the interface between the SiGe and the oxide in formation, assisted by the reactions of species within the cleaning solutions.

Identification of ubiquitin/ubiquitin-like protein modification from tandem mass spectra with various PTMs

PubMed Central

2011-01-01

Background Various solutions have been introduced for the identification of post-translational modification (PTM) from tandem mass spectrometry (MS/MS) in proteomics field but the identification of peptide modifiers, such as Ubiquitin (Ub) and ubiquitin-like proteins (Ubls), is still a challenge. The fragmentation of peptide modifier produce complex shifted ion mass patterns in combination with other PTMs, which makes it difficult to identify and locate the PTMs on a protein sequence. Currently, most PTM identification methods do not consider the complex fragmentation of peptide modifier or deals it separately from the other PTMs. Results We developed an advanced PTM identification method that inspects possible ion patterns of the most known peptide modifiers as well as other known biological and chemical PTMs to make more comprehensive and accurate conclusion. The proposed method searches all detectable mass differences of measured peaks from their theoretical values and the mass differences within mass tolerance range are grouped as mass shift classes. The most possible locations of multiple PTMs including peptide modifiers can be determined by evaluating all possible scenarios generated by the combination of the qualified mass shift classes.The proposed method showed excellent performance in the test with simulated spectra having various PTMs including peptide modifiers and in the comparison with recently developed methods such as QuickMod and SUMmOn. In the analysis of HUPO Brain Proteome Project (BPP) datasets, the proposed method could find the ubiquitin modification sites that were not identified by other conventional methods. Conclusions This work presents a novel method for identifying bothpeptide modifiers that generate complex fragmentation patternsand PTMs that are not fragmented during fragmentation processfrom tandem mass spectra. PMID:22373085

Different Interfacial Behaviors of Peptides Chemically Immobilized on Surfaces with Different Linker Lengths and via Different Termini

DTIC Science & Technology

2014-02-20

spectroscopy was applied to investigate such structures of peptides immobilized on self-assembled monolayers (SAMs). Here cysteine-modified antimicrobial ...modified antimicrobial peptide cecropin P1 (CP1) was chemically immobilized onto SAM with a maleimide terminal group. Two important characteristics...applied to investigate such structures of peptides immobilized on self-assembled monolayers (SAMs). Here cysteine-modified antimicrobial peptide cecropin

Multiple Revolution Solutions for the Perturbed Lambert Problem using the Method of Particular Solutions and Picard Iteration

NASA Astrophysics Data System (ADS)

Woollands, Robyn M.; Read, Julie L.; Probe, Austin B.; Junkins, John L.

2017-12-01

We present a new method for solving the multiple revolution perturbed Lambert problem using the method of particular solutions and modified Chebyshev-Picard iteration. The method of particular solutions differs from the well-known Newton-shooting method in that integration of the state transition matrix (36 additional differential equations) is not required, and instead it makes use of a reference trajectory and a set of n particular solutions. Any numerical integrator can be used for solving two-point boundary problems with the method of particular solutions, however we show that using modified Chebyshev-Picard iteration affords an avenue for increased efficiency that is not available with other step-by-step integrators. We take advantage of the path approximation nature of modified Chebyshev-Picard iteration (nodes iteratively converge to fixed points in space) and utilize a variable fidelity force model for propagating the reference trajectory. Remarkably, we demonstrate that computing the particular solutions with only low fidelity function evaluations greatly increases the efficiency of the algorithm while maintaining machine precision accuracy. Our study reveals that solving the perturbed Lambert's problem using the method of particular solutions with modified Chebyshev-Picard iteration is about an order of magnitude faster compared with the classical shooting method and a tenth-twelfth order Runge-Kutta integrator. It is well known that the solution to Lambert's problem over multiple revolutions is not unique and to ensure that all possible solutions are considered we make use of a reliable preexisting Keplerian Lambert solver to warm start our perturbed algorithm.

Thin-film chemical sensors based on electron tunneling

NASA Technical Reports Server (NTRS)

Khanna, S. K.; Lambe, J.; Leduc, H. G.; Thakoor, A. P.

1985-01-01

The physical mechanisms underlying a novel chemical sensor based on electron tunneling in metal-insulator-metal (MIM) tunnel junctions were studied. Chemical sensors based on electron tunneling were shown to be sensitive to a variety of substances that include iodine, mercury, bismuth, ethylenedibromide, and ethylenedichloride. A sensitivity of 13 parts per billion of iodine dissolved in hexane was demonstrated. The physical mechanisms involved in the chemical sensitivity of these devices were determined to be the chemical alteration of the surface electronic structure of the top metal electrode in the MIM structure. In addition, electroreflectance spectroscopy (ERS) was studied as a complementary surface-sensitive technique. ERS was shown to be sensitive to both iodine and mercury. Electrolyte electroreflectance and solid-state MIM electroreflectance revealed qualitatively the same chemical response. A modified thin-film structure was also studied in which a chemically active layer was introduced at the top Metal-Insulator interface of the MIM devices. Cobalt phthalocyanine was used for the chemically active layer in this study. Devices modified in this way were shown to be sensitive to iodine and nitrogen dioxide. The chemical sensitivity of the modified structure was due to conductance changes in the active layer.

Spherical thin-shell wormholes and modified Chaplygin gas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharif, M.; Azam, M., E-mail: msharif.math@pu.edu.pk, E-mail: azammath@gmail.com

2013-05-01

The purpose of this paper is to construct spherical thin-shell wormhole solutions through cut and paste technique and investigate the stability of these solutions in the vicinity of modified Chaplygin gas. The Darmois-Israel formalism is used to formulate the stresses of the surface concentrating the exotic matter. We explore the stability of the wormhole solutions by using the standard potential method. We conclude that there exist more stable as well as unstable solutions than the previous study with generalized Chaplygin gas [19].

Homotopy decomposition method for solving one-dimensional time-fractional diffusion equation

NASA Astrophysics Data System (ADS)

Abuasad, Salah; Hashim, Ishak

2018-04-01

In this paper, we present the homotopy decomposition method with a modified definition of beta fractional derivative for the first time to find exact solution of one-dimensional time-fractional diffusion equation. In this method, the solution takes the form of a convergent series with easily computable terms. The exact solution obtained by the proposed method is compared with the exact solution obtained by using fractional variational homotopy perturbation iteration method via a modified Riemann-Liouville derivative.

A simple scheme to determine potential aquatic metal toxicity from mining wastes

USGS Publications Warehouse

Wildeman, T.R.; Smith, K.S.; Ranville, J.F.

2007-01-01

A decision tree (mining waste decision tree) that uses simple physical and chemical tests has been developed to determine whether effluent from mine waste material poses a potential toxicity threat to the aquatic environment. For the chemical portion of the tree, leaching tests developed by the United States Geological Survey, the Colorado Division of Minerals and Geology (Denver, CO), and a modified 1311 toxicity characteristic leaching procedure (TCLP) test of the United States Environmental Protection Agency have been extensively used as a surrogate for readily available metals that can be released into the environment from mining wastes. To assist in the assessment, element concentration pattern graphs (ECPG) are produced that compare concentrations of selected groups of elements from the three leachates and any water associated with the mining waste. The MWDT makes a distinction between leachates or waters with pH less than or greater than 5. Generally, when the pH values are below 5, the ECPG of the solutions are quite similar, and potential aquatic toxicity from cationic metals, such as Pb, Cu, Zn, Cd, and Al, is assumed. Below pH 5, these metals are mostly dissolved, generally are not complexed with organic or inorganic ligands, and hence are more bioavailable. Furthermore, there is virtually no carbonate alkalinity at pH less than 5. All of these factors promote metal toxicity to aquatic organisms. On the other hand, when the pH value of the water or the leachates is above 5, the ECPG from the solutions are variable, and inferred aquatic toxicity depends on factors in addition to the metals released from the leaching tests. Hence, leachates and waters with pH above 5 warrant further examination of their chemical composition. Physical ranking criteria provide additional information, particularly in areas where waste piles exhibit similar chemical rankings. Rankings from physical and chemical criteria generally are not correlated. Examples of how this decision tree has been applied in assessing mine sites are discussed. Copyright ?? Taylor & Francis Group, LLC.

The Analytic Structures of Dynamical Systems.

DTIC Science & Technology

1986-01-01

equations , rational solutions, and the Painlev6 property for the Kadomtsev - Petviashvili and Hirota-Satsuma equations ", J. Math. Phys. 26 2174 (1985) 5...of rational solutions. This also obtains the Lax pairs for the modified equations . In this paper we apply this method to the Kadomtsev - Petviashvili ...3 . . . . .. .. ," ,",,....". . ".’..’.-.: -.... ., Modified equations , rational solutions, and the Painlev6 property for the Kadomtsev

Probabilistic Human Health Risk Assessment of Chemical Mixtures: Hydro-Toxicological Interactions and Controlling Factors

NASA Astrophysics Data System (ADS)

Henri, C.; Fernandez-Garcia, D.; de Barros, F.

2014-12-01

Improper disposals of hazardous wastes in most industrial countries give rise to severe groundwater contamination problems that can lead to adverse health effects in humans. Therefore risk assessment methods play an important role in population protection by (1) quantifying the impact on human health of an aquifer contamination and (2) aiding the decision making process of to better manage our groundwater resources. Many reactive components such as chlorinated solvent or nitrate potentially experience attenuation processes under common geochemical conditions. Based on this, monitored natural attenuation has become nowadays an attractive remediation solution. However, in some cases, intermediate degradation products can constitute noxious chemical compounds before reaching a harmless chemical form. In these cases, the joint effect of advection-dispersion transport and the species-dependent kinetic reactions and toxicity will dictate the relative importance of the degradation byproducts to the total risk. This renders the interpretation of risk a non-trivial task. In this presentation, we quantify, through a probabilistic framework, the human health risk posed by a chemical mixture in a heterogeneous aquifer. This work focuses on a Perchloroethylene contamination problem followed by the first-order production/biodegradation of its daughter species Trichloroethylene, Dichloroethylene and Vinyl Chlorine that is known to be highly toxic. Uncertainty on the hydraulic conductivity field is considered through a Monte Carlo scheme. A comparative description of human health risk metrics as a function of aquifer heterogeneity and contaminant injection mode is provided by means of a spatial characterization of the lower-order statistical moments and empirical probability density functions of both individual and total risks. Interestingly, we show that the human health risk of a chemical mixture is mainly controlled by a modified Damköhler number that express the joint effect of contaminant mean travel times, reaction kinetics and chemical toxicity. From this, connectivity is shown to produce a significant and non-trivial impact on risk measures. The impact of connectivity can be potentially beneficial or detrimental on the magnitude of human health risk depending on the modified Damköhler number.

Chemical treatment of the intra-canal dentin surface: a new approach to modify dentin hydrophobicity

PubMed Central

GAITAN-FONSECA, Cesar; COLLART-DUTILLEUL, Pierre-Yves; SEMETEY, Vincent; ROMIEU, Olivier; CRUZ, Roel; FLORES, Hector; CUISINIER, Frédéric; PÉREZ, Elías; POZOS-GUILLEN, Amaury

2013-01-01

Objective: This study evaluated the hydrophobicity of dentin surfaces that were modified through chemical silanization with octadecyltrichlorosilane (OTS). Material and Methods: An in vitro experimental study was performed using 40 human permanent incisors that were divided into the following two groups: non-silanized and silanized. The specimens were pretreated and chemically modified with OTS. After the chemical modification, the dentin hydrophobicity was examined using a water contact angle measurement (WCA). The effectiveness of the modification of hydrophobicity was verified by the fluid permeability test (FPT). Results and Conclusions: Statistically significant differences were found in the values of WCA and FPT between the two groups. After silanization, the hydrophobic intraradicular dentin surface exhibited in vitro properties that limit fluid penetration into the sealed root canal. This chemical treatment is a new approach for improving the sealing of the root canal system. PMID:23559114

Surface modification of poly(dimethylsiloxane) for microfluidic assay applications

NASA Astrophysics Data System (ADS)

Séguin, Christine; McLachlan, Jessica M.; Norton, Peter R.; Lagugné-Labarthet, François

2010-02-01

The surface of a poly(dimethylsiloxane) (PDMS) film was imparted with patterned functionalities at the micron-scale level. Arrays of circles with diameters of 180 and 230 μm were functionalized using plasma oxidation coupled with aluminum deposition, followed by silanization with solutions of 3-aminopropyltrimethoxy silane (3-APTMS) and 3-mercaptopropyltrimethoxy silane (3-MPTMS), to obtain patterned amine and thiol functionalities, respectively. The modification of the samples was confirmed using X-ray photoelectron spectroscopy (XPS), gold nanoparticle adhesion coupled with optical microscopy, as well as by derivatization with fluorescent dyes. To further exploit the novel surface chemistry of the modified PDMS, samples with surface amine functionalities were used to develop a protein assay as well as an array capable of cellular capture and patterning. The modified substrate was shown to successfully selectively immobilize fluorescently labeled immunoglobulin G (IgG) by tethering Protein A to the surface, and, for the cellular arrays, C2C12 rat endothelial cells were captured. Finally, this novel method of patterning chemical functionalities onto PDMS has been incorporated into microfluidic channels. Finally, we demonstrate the in situ chemical modification of the protected PDMS oxidized surface within a microfluidic device. This emphasizes the potential of our method for applications involving micron-scale assays since the aluminum protective layer permits to functionalize the oxidized PDMS surface several weeks after plasma treatment simply after etching away the metallic thin film.

Micropattern printing of adhesion, spreading, and migration peptides on poly(tetrafluoroethylene) films to promote endothelialization.

PubMed

Gauvreau, Virginie; Laroche, Gaétan

2005-01-01

We report here the development of an original multistep micropatterning technique for printing peptides on surfaces, based on the ink-jet printer technology. Contrary to most micropatterning methods used nowadays, this technique is advantageous because it allows displaying 2D-arrays of multiple biomolecules. Moreover, this low cost procedure allies the advantages of computer-aided design with high flexibility and reproducibility. A Hewlett-Packard printer was modified to print peptide solutions, and Adobe Illustrator was used as the graphic-editing software to design high-resolution checkerboard-like micropatterns. In a first step, PTFE films were treated with ammonia plasma to introduce amino groups on the surface. These chemical functionalities were reacted with heterobifunctional cross-linker sulfo-succinimidyl 4-(N-maleimidomethyl)cycloexane-1-carboxylate (S-SMCC) to allow the subsequent surface covalent conjugation of various cysteine-modified peptides to the polymer substrate. These peptidic molecules containing RGD and WQPPRARI sequences were selected for their adhesive, spreading, and migrational properties toward endothelial cells. On one hand, our data demonstrated that the initial cell adhesion does not depend on the chemical structure and combination of the peptides covalently bonded either through conventional conjugation or micropatterning. On the other hand, spreading and migration of endothelial cells is clearly enhanced while coconjugating the GRGDS peptide in conjunction with WQPPRARI. This behavior is further improved by micropatterning these peptides on specific areas of the polymer surface.

Solid-water detoxifying reagents for chemical and biological agents

DOEpatents

Hoffman, Dennis M [Livermore, CA; Chiu, Ing Lap [Castro Valley, CA

2006-04-18

Formation of solid-water detoxifying reagents for chemical and biological agents. Solutions of detoxifying reagent for chemical and biological agents are coated using small quantities of hydrophobic nanoparticles by vigorous agitation or by aerosolization of the solution in the presence of the hydrophobic nanoparticles to form a solid powder. For example, when hydrophobic fumed silica particles are shaken in the presence of IN oxone solution in approximately a 95:5-weight ratio, a dry powder results. The hydrophobic silica forms a porous coating of insoluble fine particles around the solution. Since the chemical or biological agent tends to be hydrophobic on contact with the weakly encapsulated detoxifying solution, the porous coating breaks down and the detoxifying reagent is delivered directly to the chemical or biological agent for maximum concentration at the point of need. The solid-water (coated) detoxifying solutions can be blown into contaminated ventilation ducting or other difficult to reach sites for detoxification of pools of chemical or biological agent. Once the agent has been detoxified, it can be removed by flushing the area with air or other techniques.

Scattering from a cylindrical reflector: modified theory of physical optics solution.

PubMed

Yalçin, Ugur

2007-02-01

The problem of scattering from a perfectly conducting cylindrical reflector is examined with the method of the modified theory of physical optics. In this technique the physical optics currents are modified by using a variable unit vector on the scatterer's surface. These current components are obtained for the reflector, which is fed by an offset electric line source. The scattering integral is expressed by using these currents and evaluated asymptotically with the stationary phase method. The results are compared numerically by using physical optics theory, geometrical optics diffraction theory, and the exact solution of the Helmholtz equation. It is found that the modified theory of physical optics scattering field equations agrees with the geometrical optics diffraction theory and the exact solution of the Helmholtz equation.

Synthesis, stabilization, and characterization of metal nanoparticles

NASA Astrophysics Data System (ADS)

White, Gregory Von, II

Wet chemical synthesis techniques offer the ability to control various nanoparticle characteristics including size, shape, dispersibility in both aqueous and organic solvents, and tailored surface chemistries appropriate for different applications. Large quantities of stabilizing ligands or surfactants are often required during synthesis to achieve these nanoparticle characteristics. Unfortunately, excess reaction byproducts, surfactants, and ligands remaining in solution after nanoparticle synthesis can impede application, and therefore post-synthesis purification must be employed. A liquid-liquid solvent/antisolvent pair (typically ethanol/toluene or ethanol/hexane for gold nanoparticles, GNPs) can be used to both purify and size-selectively fractionate hydrophobically modified nanoparticles. Alternatively, carbon dioxide may be used in place of a liquid antisolvent, a "green" approach, enabling both nanoparticle purification and size-selective fractionation while simultaneously eliminating mixed solvent waste and allowing solvent recycle. We have used small-angle neutron scattering (SANS) to investigate the ligand structure and composition response of alkanethiol modified gold and silver nanoparticles at varying anti-solvent conditions (CO2 or ethanol). The ligand lengths and ligand solvation for alkanethiol gold and silver NPs were found to decrease with increased antisolvent concentrations directly impacting their dispersibility in solution. Calculated Flory-Huggins interaction parameters support our SANS study for dodecanethiol dispersibility in the mixed organic solvents. This research has led to a greater understanding of the liquid-liquid precipitation process for metal nanoparticles, and provides critical results for future interaction energy modeling.

Characterizing Protein Complexes with UV absorption, Light Scattering, and Refractive Index Detection.

NASA Astrophysics Data System (ADS)

Trainoff, Steven

2009-03-01

Many modern pharmaceuticals and naturally occurring biomolecules consist of complexes of proteins and polyethylene glycol or carbohydrates. In the case of vaccine development, these complexes are often used to induce or amplify immune responses. For protein therapeutics they are used to modify solubility and function, or to control the rate of degradation and elimination of a drug from the body. Characterizing the stoichiometry of these complexes is an important industrial problem that presents a formidable challenge to analytical instrument designers. Traditional analytical methods, such as using florescent tagging, chemical assays, and mass spectrometry perturb the system so dramatically that the complexes are often destroyed or uncontrollably modified by the measurement. A solution to this problem consists of fractionating the samples and then measuring the fractions using sequential non-invasive detectors that are sensitive to different components of the complex. We present results using UV absorption, which is primarily sensitive to the protein fraction, Light Scattering, which measures the total weight average molar mass, and Refractive Index detection, which measures the net concentration. We also present a solution of the problem inter-detector band-broadening problem that has heretofore made this approach impractical. Presented will be instrumentation and an analysis method that overcome these obstacles and make this technique a reliable and robust way of non-invasively characterizing these industrially important compounds.

Purification process of natural graphite as anode for Li-ion batteries: chemical versus thermal

NASA Astrophysics Data System (ADS)

Zaghib, K.; Song, X.; Guerfi, A.; Rioux, R.; Kinoshita, K.

The intercalation of Li ions in natural graphite that was purified by chemical and thermal processes was investigated. A new chemical process was developed that involved a mixed aqueous solution containing 30% H 2SO 4 and 30% NH xF y heated to 90 °C. The results of this process are compared to those obtained by heating the natural graphite from 1500 to 2400 °C in an inert environment (thermal process). The first-cycle coulombic efficiency of the purified natural graphite obtained by the chemical process is 91 and 84% after the thermal process at 2400 °C. Grinding the natural graphite before or after purification had no significant effect on electrochemical performance at low currents. However, grinding to a very small particle size before purification permitted optimization of the size distribution of the particles, which gives rise to a more homogenous electrode. The impurities in the graphite play a role as microabrasion agents during grinding which enhances its hardness and improves its mechanical properties. Grinding also modifies the particle morphology from a 2- to a 3-D structure (similar in shape to a potato). This potato-shaped natural graphite shows high reversible capacity at high current densities (about 90% at 1 C rate). Our analysis suggests that thermal processing is considerably more expensive than the chemical process to obtain purified natural graphite.

Role of graphene on the surface chemical reactions of BiPO4-rGO with low OH-related defects.

PubMed

Gao, Erping; Wang, Wenzhong

2013-11-21

Graphene has been widely introduced into photocatalysis to enhance photocatalytic performance due to its unique physical and chemical properties. However, the effect of graphene on the surface chemical reactions of photocatalysis has not been clearly researched, which is important for photocatalysis because photocatalytic reactions ultimately occur on the catalyst surface. Herein, a two-step solution-phase reaction has been designed to synthesize quasi-core-shell structured BiPO4-rGO cuboids and the role of graphene on the surface chemical reactions was investigated in detail. It was found that the introduced graphene modified the process and the mechanism of the surface chemical reactions. The change mainly originates from the interaction between graphene and the adsorbed O2 molecule. Due to the electron transfer from graphene to adsorbed O2, graphene could tune the interfacial charge transport and efficiently activate molecular oxygen to form O2˙(-) anions as the major oxidation species instead of ˙OH. In addition, the two-step synthesis approach could efficiently suppress the formation of OH-related defects in the lattice. As a result, the BiPO4-rGO composite exhibited superior photocatalytic activity to BiPO4 and P25, about 4.3 times that of BiPO4 and 6.9 times that of P25.

Modifying Poisson equation for near-solute dielectric polarization and solvation free energy

NASA Astrophysics Data System (ADS)

Yang, Pei-Kun

2016-06-01

The dielectric polarization P is important for calculating the stability of protein conformation and the binding affinity of protein-protein/ligand interactions and for exploring the nonthermal effect of an external electric field on biomolecules. P was decomposed into the product of the electric dipole moment per molecule p; bulk solvent density Nbulk; and relative solvent molecular density g. For a molecular solute, 4πr2p(r) oscillates with the distance r to the solute, and g(r) has a large peak in the near-solute region, as observed in molecular dynamics (MD) simulations. Herein, the Poisson equation was modified for computing p based on the modified Gauss's law of Maxwell's equations, and the potential of the mean force was used for computing g. For one or two charged atoms in a water cluster, the solvation free energies of the solutes obtained by these equations were similar to those obtained from MD simulations.

Preparation of hydrophilic polymer-grafted polystyrene beads for hydrophilic interaction chromatography via surface-initiated atom transfer radical polymerization.

PubMed

Dai, Xiaojun; He, Yuan; Wei, Yinmao; Gong, Bolin

2011-11-01

A one-step procedure based on surface-initiated atom transfer radical polymerization (SI-ATRP) to hydrophilize monodisperse poly(chloromethylstyrene-co-divinylbenzene) beads has been presented in this work, using 2-hydroxyl-3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propyl 2-methylacrylate (HTMA) as a monomer. The chain length of the grafted poly(HTMA) was controlled via varying the ratio of HTMA to initiator on the surface of the beads. When using the grafted beads as a stationary phase in hydrophilic interaction chromatography (HILIC), good resolution for nucleobases/nucleosides was obtained with acetonitrile aqueous solution as an eluent; while for phenolic acids and glycosides, they could be eluted and separated in the presence of TFA. The retention time of the solutes increased with the amount of the grafted HTMA. The retention mechanisms of solutes were investigated by the effects of mobile phase composition and buffer pH on the retention of solutes. The results illustrated that the retention behaviors of the tested solutes were dominated by hydrogen bonding interaction and electrostatic interaction. From the chemical structure of the ligands, the modified beads could not only be used as a stationary phase in HILIC, but also act as a useful building block to develop new stationary phases for other chromatographic modes such as affinity media. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Continuous hydroponic wheat production using a recirculating system

NASA Technical Reports Server (NTRS)

Mackowiak, C. L.; Owens, L. P.; Hinkle, C. R.; Prince, R. P.

1989-01-01

Continuous crop production, where plants of various ages are growing simultaneously in a single recirculating nutrient solution, is a possible alternative to batch production in a Controlled Ecological Life Support System. A study was conducted at John F. Kennedy Space Center where 8 trays (0.24 sq m per tray) of Triticum aestivum L. Yecora Rojo were grown simultaneously in a growth chamber at 23 C, 65 percent relative humidity, 1000 ppm CO2, continuous light, with a continuous flow, thin film nutrient delivery system. The same modified Hoagland nutrient solution was recirculated through the plant trays from an 80 L reservoir throughout the study. It was maintained by periodic addition of water and nutrients based on chemical analyses of the solution. The study was conducted for 216 days, during which 24 trays of wheat were consecutively planted (one every 9 days), 16 of which were grown to maturity and harvested. The remaining 8 trays were harvested on day 216. Grain yields averaged 520 g m(exp -2), and had an average edible biomass of 32 percent. Consecutive yields were unaffected by nutrient solution age. It was concluded that continual wheat production will work in this system over an extended period of time. Certain micronutrient deficiencies and toxicities posed problems and must be addressed in future continuous production systems.

Binding of iron, zinc, and lead ions from aqueous solution by shea butter (Butyrospermun Parkii) seed husks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eromosele, I.C.; Otitolaye, O.O.

1994-08-01

Several workers have reported on the potential use of agricultural products as substrates for the removal of metal ions from aqueous solutions. These studies demonstrated that considerable amounts of metal ions can be removed from aqueous solutions by cellulosic materials. The merit in the use of the latter is their relative abundance and cheapness compared to conventional materials for the removal of toxic metal ions from waste-waters. In some of the studies, chemical modification of cellulosic materials significantly enhanced their ion-binding properties, providing greater flexibility in their applications to a wide range of heavy metal ions. Shea butter plant (Butyrospermunmore » Parkii) normally grows in the wild within the guinea-savana zone of Nigeria. The seeds are a rich source of edible oils and the husks are usually discarded. The husk is thus available in abundance and, hence, there is reason to examine its ion-binding properties for its possible application in the removal of toxic metal ions from industrial waste-waters. This paper reports on preliminary studies of the sorption of iron, zinc and lead ions from aqueous solution by modified and unmodified shea butter seed husks. 8 refs., 5 figs., 1 tab.« less

Applications of exact traveling wave solutions of Modified Liouville and the Symmetric Regularized Long Wave equations via two new techniques

NASA Astrophysics Data System (ADS)

Lu, Dianchen; Seadawy, Aly R.; Ali, Asghar

2018-06-01

In this current work, we employ novel methods to find the exact travelling wave solutions of Modified Liouville equation and the Symmetric Regularized Long Wave equation, which are called extended simple equation and exp(-Ψ(ξ))-expansion methods. By assigning the different values to the parameters, different types of the solitary wave solutions are derived from the exact traveling wave solutions, which shows the efficiency and precision of our methods. Some solutions have been represented by graphical. The obtained results have several applications in physical science.

Assembly of Oriented Virus Arrays by Chemo-Selective Ligation Methods and Nanolithography Techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Camarero, J A; Cheung, C L; Lin, T

2002-12-02

The present work describes our ongoing efforts towards the creation of nano-scaled ordered arrays of protein/virus covalently attached to site-specific chemical linkers patterned by different nanolithograpy techniques. We will present a new and efficient solid-phase approach for the synthesis of chemically modified long alkyl-thiols. These compounds can be used to introduce chemoselective reacting groups onto gold and silicon-based surfaces. Furthermore, these modified thiols have been used to create nanometric patterns by using different nanolithography techniques. We will show that these patterns can react chemoselectively with proteins and/or virus which have been chemically or recombinantly modified to contain complementary chemical groupsmore » at specific positions thus resulting in the oriented attachment of the protein or virus to the surface.« less

Sensitive And Selective Chemical Sensor With Nanostructured Surfaces.

DOEpatents

Pipino, Andrew C. R.

2003-02-04

A chemical sensor is provided which includes an optical resonator including a nanostructured surface comprising a plurality of nanoparticles bound to one or more surfaces of the resonator. The nanoparticles provide optical absorption and the sensor further comprises a detector for detecting the optical absorption of the nanoparticles or their environment. In particular, a selective chemical interaction is provided which modifies the optical absorption of the nanoparticles or their environment, and an analyte is detected based on the modified optical absorption. A light pulse is generated which enters the resonator to interrogate the modified optical absorption and the exiting light pulse is detected by the detector.

Phoretic drag reduction of chemically active homogeneous spheres under force fields and shear flows

NASA Astrophysics Data System (ADS)

Yariv, Ehud; Kaynan, Uri

2017-01-01

Surrounded by a spherically symmetric solute cloud, chemically active homogeneous spheres do not undergo conventional autophoresis when suspended in an unbounded liquid domain. When exposed to external flows, solute advection deforms that cloud, resulting in a generally asymmetric distribution of diffusio-osmotic slip which, in turn, modifies particle motion. Inspired by classical forced-convection analyses [Acrivos and Taylor, Phys. Fluids 5, 387 (1962), 10.1063/1.1706630; Frankel and Acrivos, Phys. Fluids 11, 1913 (1968), 10.1063/1.1692218] we illustrate this phoretic phenomenon using two prototypic configurations, one where the particle sediments under a uniform force field and one where it is subject to a simple shear flow. In addition to the Péclet number Pe associated with the imposed flow, the governing nonlinear problem also depends upon α , the intrinsic Péclet number associated with the chemical activity of the particle. As in the forced-convection problems, the small-Péclet-number limit is nonuniform, breaking down at large distances away from the particle. Calculation of the leading-order autophoretic effects thus requires use of matched asymptotic expansions, the outer region being at distances that scale inversely with Pe and Pe1 /2 in the respective sedimentation and shear problems. In the sedimentation problem we find an effective drag reduction of fractional amount α /8 ; in the shear problem we find that the magnitude of the stresslet is decreased by a fractional amount α /4 . For a dilute particle suspension the latter result is manifested by a reduction of the effective viscosity.

Fluorescent silica nanoparticles containing covalently bound dyes for reporter, marker, and sensor applications

NASA Astrophysics Data System (ADS)

Patonay, Gabor; Henary, Maged; Chapman, Gala; Emer, Kyle; Crow, Sidney

2016-03-01

Silica nanoparticles have proven to be useful in many bioanalytical and medical applications and have been used in numerous applications during the last decade. Combining the properties of silica nanoparticles and fluorescent dyes that may be used as chemical probes or labels can be relatively easy by simply soaking porous silica nanoparticles in a solution of the dye of interest. Under proper conditions the entrapped dye can stay inside the silica nanoparticle for several hours resulting in a useful probe. In spite of the relative durability of these probes, leaching can still occur. A much better approach is to synthesize silica nanoparticles that have the fluorescent dye covalently attached to the backbone structure of the silica nanoparticle. This can be achieved by using appropriately modified tetraethyl orthosilicate (TEOS) analogues during the silica nanoparticle synthesis. The molar ratio of TEOS and modified TEOS will determine the fluorescent dye load in the silica nanoparticle. Dependent on the chemical stability of the reporting dye either reverse micellar (RM) or Stöber method can be used for silica nanoparticle synthesis. If dye stability allows RM procedure is preferred as it results in a much easier control of the silica nanoparticle reaction itself. Also controlling the size and uniformity of the silica nanoparticles are much easier using RM method. Dependent on the functional groups present in the reporting dye used in preparation of the modified TEOS, the silica nanoparticles can be utilized in many applications such as pH sensor, metal ion sensors, labels, etc. In addition surface activated silica nanoparticles with reactive moieties are also excellent reporters or they can be used as bright fluorescent labels. Many different fluorescent dyes can be used to synthesize silica nanoparticles including visible and NIR dyes. Several bioanalytical applications are discussed including studying amoeba phagocytosis.

Temperature-responsive in situ nanoparticle hydrogels based on hydrophilic pendant cyclic ether modified PEG-PCL-PEG.

PubMed

Feng, Zujian; Zhao, Junqiang; Li, Yin; Xu, Shuxin; Zhou, Junhui; Zhang, Jianhua; Deng, Liandong; Dong, Anjie

2016-10-20

Thermo-sensitive injectable hydrogels based on poly(ε-caprolactone)/poly(ethylene glycol) (PCL/PEG) block copolymers have attracted considerable attention for sustained drug release and tissue engineering applications. Previously, we have reported a thermo-sensitive hydrogel of P(CL-co-TOSUO)-PEG-P(CL-co-TOSUO) (PECT) triblock copolymers modified by hydrophilic cyclic ether pendant groups 1,4,8-trioxa-[4.6]spiro-9-undecanone (TOSUO). Unfortunately, the low gel modulus of PECT (only 50-70 Pa) may limit its applications. Herein, another kind of thermogelling triblock copolymer of a pendant cyclic ether-modified caprolactonic poloxamer analog, PEG-P(CL-co-TOSUO)-PEG (PECTE), was successfully prepared by control of the hydrophilicity/hydrophobicity balance and chemical compositions of the copolymers. PECTE powder could directly disperse in water to form a stable nanoparticle (NP) aqueous dispersion and underwent sol-gel-sol transition behavior at a higher concentration with the temperature increasing from ambient or lower temperatures. Significantly, the microstructure parameters (e.g., different chemical compositions of the hydrophobic block and topology) played a critical role in the phase transition behavior. Furthermore, comparison studies on PECTE and PEG-PCL-PEG (PECE) showed that the introduction of pendant cyclic ether groups into PCL blocks could avoid unexpected ahead-of-time gelling of the PECE aqueous solution. In addition, the rheological analysis of PECTE and PECT indicated that the storage modulus of the PECTE hydrogel could be 100 times greater than that of the PECT hydrogel under the same mole ratios of TOSUO/CL and lower molecular weight. Consequently, PECTE thermal hydrogel systems are believed to be promising as in situ gel-forming biomaterials for drug delivery and tissue engineering.

High Substitution Rate in TiO 2 Anatase Nanoparticles with Cationic Vacancies for Fast Lithium Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Wei; Corradini, Dario; Body, Monique

2015-06-24

Doping is generally used to tune and enhance the properties of metal oxides. However, their chemical composition cannot be readily modified beyond low dopant amounts without disrupting the crystalline atomic structure. In the case of anatase TiO 2, we introduce a new solution-based chemical route allowing the composition to be significantly modified, substituting the divalent O 2- anions by monovalent F- and OH- anions resulting in the formation of cationic Ti 4+ vacancies (square) whose concentration can be controlled by the reaction temperature. The resulting polyanionic anatase has the general composition Ti 1-x-y square x+yO 2-4(x+y)F 4x(OH) 4y, reaching vacancymore » concentrations of up to 22%, i.e., Ti 0.78 square 0.22O 1.12F 0.4(OH) 0.48. Solid-state F-19 NMR spectroscopy reveals that fluoride ions can accommodate up to three different environments, depending on Ti and vacancies (i.e. Ti 3-F, Ti- 2 square 1-F, and Ti- 1 square 2-F), with a preferential location close to vacancies. DFT calculations further confirm the fluoride/vacancy ordering. When its characteristics were evaluated as an electrode for reversible Li-ion storage, the material shows a modified lithium reaction mechanism, which has been rationalized by the occurrence of cationic vacancies acting as additional lithium hosting sites within the anatase framework. Finally, the material shows a fast discharging/charging behavior, compared to TiO 2, highlighting the benefits of the structural modifications and paving the way for the design of advanced electrode materials, based on a defect mediated mechanism.« less

Chemical and Conformational Diversity of Modified Nucleosides Affects tRNA Structure and Function.

PubMed

Väre, Ville Y P; Eruysal, Emily R; Narendran, Amithi; Sarachan, Kathryn L; Agris, Paul F

2017-03-16

RNAs are central to all gene expression through the control of protein synthesis. Four major nucleosides, adenosine, guanosine, cytidine and uridine, compose RNAs and provide sequence variation, but are limited in contributions to structural variation as well as distinct chemical properties. The ability of RNAs to play multiple roles in cellular metabolism is made possible by extensive variation in length, conformational dynamics, and the over 100 post-transcriptional modifications. There are several reviews of the biochemical pathways leading to RNA modification, but the physicochemical nature of modified nucleosides and how they facilitate RNA function is of keen interest, particularly with regard to the contributions of modified nucleosides. Transfer RNAs (tRNAs) are the most extensively modified RNAs. The diversity of modifications provide versatility to the chemical and structural environments. The added chemistry, conformation and dynamics of modified nucleosides occurring at the termini of stems in tRNA's cloverleaf secondary structure affect the global three-dimensional conformation, produce unique recognition determinants for macromolecules to recognize tRNAs, and affect the accurate and efficient decoding ability of tRNAs. This review will discuss the impact of specific chemical moieties on the structure, stability, electrochemical properties, and function of tRNAs.

Effect of Na+ impregnated activated carbon on the adsorption of NH4(+)-N from aqueous solution.

PubMed

Shi, Mo; Wang, Zhengfang; Zheng, Zheng

2013-08-01

Two kinds of activated carbons modified by Na+ impregnation after pre-treatments involving oxidation by nitric acid or acidification by hydrochloric acid (denoted as AC/N-Na and AC/HCl-Na, respectively), were used as adsorbents to remove NH4(+)-N. The surface features of samples were investigated by BET, SEM, XRD and FT-IR. The adsorption experiments were conducted in equilibrium and kinetic conditions. Influencing factors such as initial solution pH and initial concentration were investigated. A possible mechanism was proposed. Results showed that optimal NH4(+)-N removal efficiency was achieved at a neutral pH condition for the modified ACs. The Langmuir isotherm adsorption equation provided a better fit than other models for the equilibrium study. The adsorption kinetics followed both the pseudo second-order kinetics model and intra-particle kinetic model. Chemical surface analysis indicated that Na+ ions form ionic bonds with available surface functional groups created by pre-treatment, especially oxidation by nitric acid, thus increasing the removal efficiency of the modified ACs for NH4(+)-N. Na(+)-impregnated ACs had a higher removal capability in removing NH4(+)-N than unmodified AC, possibly resulting from higher numbers of surface functional groups and better intra-particle diffusion. The good fit of Langmuir isotherm adsorption to the data indicated the presence of monolayer NH4(+)-N adsorption on the active homogenous sites within the adsorbents. The applicability of pseudo second-order and intra-particle kinetic models revealed the complex nature of the adsorption mechanism. The intra-particle diffusion model revealed that the adsorption process consisted not only of surface adsorption but also intra-particle diffusion.

A review of the fundamentals of polymer-modified asphalts: Asphalt/polymer interactions and principles of compatibility.

PubMed

Polacco, Giovanni; Filippi, Sara; Merusi, Filippo; Stastna, George

2015-10-01

During the last decades, the number of vehicles per citizen as well as the traffic speed and load has dramatically increased. This sudden and somehow unplanned overloading has strongly shortened the life of pavements and increased its cost of maintenance and risks to users. In order to limit the deterioration of road networks, it is necessary to improve the quality and performance of pavements, which was achieved through the addition of a polymer to the bituminous binder. Since their introduction, polymer-modified asphalts have gained in importance during the second half of the twentieth century, and they now play a fundamental role in the field of road paving. With high-temperature and high-shear mixing with asphalt, the polymer incorporates asphalt molecules, thereby forming a swallowed network that involves the entire binder and results in a significant improvement of the viscoelastic properties in comparison with those of the unmodified binder. Such a process encounters the well-known difficulties related to the poor solubility of polymers, which limits the number of macromolecules able to not only form such a structure but also maintain it during high-temperature storage in static conditions, which may be necessary before laying the binder. Therefore, polymer-modified asphalts have been the subject of numerous studies aimed to understand and optimize their structure and storage stability, which gradually attracted polymer scientists into this field that was initially explored by civil engineers. The analytical techniques of polymer science have been applied to polymer-modified asphalts, which resulted in a good understanding of their internal structure. Nevertheless, the complexity and variability of asphalt composition rendered it nearly impossible to generalize the results and univocally predict the properties of a given polymer/asphalt pair. The aim of this paper is to review these aspects of polymer-modified asphalts. Together with a brief description of the specification and techniques proposed to quantify the storage stability, state-of-the-art knowledge about the internal structure and morphology of polymer-modified asphalts is presented. Moreover, the chemical, physical, and processing solutions suggested in the scientific and patent literature to improve storage stability are extensively discussed, with particular attention to an emerging class of asphalt binders in which the technologies of polymer-modified asphalts and polymer nanocomposites are combined. These polymer-modified asphalt nanocomposites have been introduced less than ten years ago and still do not meet the requirements of industrial practice, but they may constitute a solution for both the performance and storage requirements. Copyright © 2015 Elsevier B.V. All rights reserved.

40 CFR 721.10029 - Isocyanate compound, modified with methoxysilane (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... to those contained in the corresponding section 5(e) consent order. (ii) Hazard communication program...) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as isocyanate compound, modified with methoxysilane (PMN P-01-918) is subject to reporting under...

40 CFR 721.10150 - Carbon black, (4-methylphenyl)-modified, substituted (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10150 Carbon black, (4-methylphenyl)-modified... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Carbon black, (4-methylphenyl...

40 CFR 721.10149 - Carbon black, (3-methylphenyl)-modified, substituted (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10149 Carbon black, (3-methylphenyl)-modified... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Carbon black, (3-methylphenyl...

Integrating biological treatment of crop residue into a hydroponic sweetpotato culture

NASA Astrophysics Data System (ADS)

Trotman, A. A.; David, P. P.; Bonsi, C. K.; Hill, W. A.; Mortley, D. G.; Loretan, P. A.

1997-01-01

Residual biomass from hydroponic culture of sweetpotato [Ipomoea batatas (L.) Lam.] was degraded using natural bacterial soil isolates. Sweetpotato was grown for 120 days in hydroponic culture with a nutrient solution comprised of a ratio of 80% modified half Hoagland solution to 20% filtered effluent from an aerobic starch hydrolysis bioreactor. The phytotoxicity of the effluent was assayed with `Waldmann's Green' lettuce (Lactuca sativa L.) and the ratio selected after a 60-day bioassay using sweetpotato plants propagated vegetatively from cuttings. Controlled environment chamber experiments were conducted to investigate the impact of filtrate from biological treatment of crop residue on growth and storage root production with plants grown in a modified half Hoagland solution. Incorporation of bioreactor effluent, reduced storage root yield of `Georgia Jet' sweetpotato but the decrease was not statistically significant when compared with yield for plants cultured in a modified half Hoagland solution without filtrate. However, yield of `TU-82-155' sweetpotato was significantly reduced when grown in a modified half Hoagland solution into which filtered effluent had been incorporated. Total biomass was significantly reduced for both sweetpotato cultivars when grown in bioreactor effluent. The leaf area and dry matter accumulation were significantly (P < 0.05) reduced for both cultivars when grown in solution culture containing 20% filtered effluent.

Electrokinetic Phenomena in Chemically Manipulated Environments

NASA Astrophysics Data System (ADS)

Nery Azevedo, Rodrigo

Suspended particles are integral part of many systems and engineering technologies. They can be found in the form of colloidal suspensions, emulsions, polymer precursor solutions, and in biological materials such as blood. The miniaturization of new technologies and the advent of microfludics has made the manipulation of suspended particles in the microscale particularly important for a variety of fields. The ability to easily impart complex chemical environments to suspensions in microfluidic devices enables us to characterize these systems, modify their properties and drive their motion. Nonetheless, precise manipulation of the chemistry surrounding suspended particles has been particularly difficult up until recently. This thesis dissertation shows how microfluidic devices integrated with hydrogel membranes can be used to control the chemical environment of suspended particles for a variety of studies and practical applications. First, I demonstrate how particles move diffusiophoretically under ionic surfactant gradients. Diffusiophoresis, the motion of particles under concentration gradients, has been known for several decades but it has rarely been studied experimentally outside the context of simple electrolytes. Here, we show that diffusiophoresis in ionic surfactants below the CMC can be understood in terms of the classic theory for electrolytes. Above the CMC, however, the drive for diffsuiophoresis is significantly diminished due to a large drop in the change in chemical potential with added solute. Next, I show that gradients of dipolar molecules such a zwitterions can drive diffusiophoresis. I derive the diffusiophoretic migration of particles under gradients of dipolar molecules. This theory is backed up by experiments which reveal that, in such systems, particle velocities are directly proportional to the imposed gradient but do not scale with the inverse of the local concentration, as occurs under electrolyte gradients. Furthermore, I show that the diffusiophoretic velocity in zwitterions scales with the square of the intercharge distance. Finally, I demonstrate further applications of our hydrogel membrane-integrated devices by showcasing several case studies of unique experiments using our technique. I show diffusiophoresis under previously untested solutes such as butanol, acids, glycerol, and sucrose. I demonstrate a proof-of-principle experiment for colloidal tagging in microfluidic devices and for the study of chemotaxis. Lastly, I examine AC electrophoresis in chemically manipulated environments and I show the ability of our device to perform electrophoretic measurements in spatially homogeneous and time-evolving systems.

Studies of Aqueous and Non-Aqueous Electrochemical Interface for Applications in Microelectronic and Energy Storage Systems

NASA Astrophysics Data System (ADS)

Zheng, Jianping

Various electrochemical techniques were utilized to study a wide range of electrochemical systems in this dissertation. Mainly they are grouped in three sections: 1) the conventional metal-aqueous systems for new applications in modern microelectronic devices, 2) unconventional ceramic-organic systems for applications in Li-ion batteries and 3) novel systems composed of ionic liquids and carbon series electrodes. The objects are to probe the electrochemical/chemical reactions and interfacial structures, which are the common features of the aforementioned systems. This dissertation mainly focuses on experimental aspects, however, some theories and new models used to elucidate the experiment data have also been developed and presented. Some new experimental techniques have been explored and their limitations and validity have also been discussed. Oxalic acid (OA)-based nonalkaline solutions with H2O 2 are found to support chemically mediated removal of Ta-oxide surface films on Ta. The associated surface reactions are critical for chemical mechanical planarization (CMP) of Ta barrier. In chapter 4, a Ta coupon electrode is used as a model system in abrasive-free solutions of OA and H2O 2, where the chemical component of CMP is selectively examined. In chapter 5, electrochemical impedance spectroscopy (EIS) is employed to study the competitive reactions of surface corrosion and passivating film formation on a Cu-rotating disc electrode (RDE) in pH-adjusted solutions of H2O2, acetic acid (HAc) and ammonium dodecyl sulfate (ADS). Micrometric LiMn2O4 particles are mechano-chemically modified by ball-milling to obtain a mixture of nano- and micro-scale particles. In chapter 6, this mixture is tested as a potential active cathode material for rapid-charge Li ion batteries, and also as a model system for studying the detailed kinetics of Li intercalation/de-intercalation in such electrodes. In chapter 7, cyclic voltammetry (CV) and EIS are compared as techniques for analyzing double layer capacitances of ionic liquids (ILs) at the surfaces of two carbon-based electrodes. These systems are relevant for energy storage supercapacitors and often are associated with unconventional electrochemical properties. In chapter 8, the electrochemical interfaces of a glassy carbon (GC) and a carbon nanotube (CNT) paper electrode have been studied in EmimBF 4 and BmimBF4 ILs using CV and EIS.

Global cosmological dynamics for the scalar field representation of the modified Chaplygin gas

NASA Astrophysics Data System (ADS)

Uggla, Claes

2013-09-01

In this paper we investigate the global dynamics for the minimally coupled scalar field representation of the modified Chaplygin gas in the context of flat Friedmann-Lemaître-Robertson Walker cosmology. The tool for doing this is a new set of bounded variables that lead to a regular dynamical system. It is shown that the exact modified Chaplygin gas perfect fluid solution appears as a straight line in the associated phase plane. It is also shown that no other solutions stay close to this solution during their entire temporal evolution, but that there exists an open subset of solutions that stay arbitrarily close during an intermediate time interval, and into the future in the case when the scalar field potential exhibits a global minimum.

Thermally conductive tough flexible elastomers as composite of slide-ring materials and surface modified boron nitride particles via plasma in solution

NASA Astrophysics Data System (ADS)

Goto, Taku; Iida, Masaki; Tan, Helen; Liu, Chang; Mayumi, Koichi; Maeda, Rina; Kitahara, Koichi; Hatakeyama, Kazuto; Ito, Tsuyohito; Shimizu, Yoshiki; Yokoyama, Hideaki; Kimura, Kaoru; Ito, Kohzo; Hakuta, Yukiya; Terashima, Kazuo

2018-03-01

We have developed a thermally conductive flexible elastomer as a composite material with slide-ring (SR) materials and boron nitride (BN) particles surface-modified via plasma in solution. This composite shows excellent properties as a flexible insulator for thermal management. Surface modification of BN particles using plasma in solution increases the tensile strength, extension ratio at break, toughness, and rubber characteristics of the composites, compared to SR and non-modified BN, while the Young's modulus values are identical. Furthermore, the thermal conductivity also improved as a result of plasma surface modification.

Magnetic iron oxide and manganese-doped iron oxide nanoparticles for the collection of alpha-emitting radionuclides from aqueous solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Hara, Matthew J.; Carter, Jennifer C.; Warner, Cynthia L.

Magnetic nanoparticles are well known to possess chemically active surfaces and large surface areas that can be employed to extract a range of ions from aqueous solutions. In addition, their superparamagnetic properties provide a convenient means for bulk collection of the material from solution after the targeted ions have been adsorbed. We evaluated two nanoscale amphoteric metal oxides, each possessing useful magnetic attributes for their ability to collect trace levels of a chemically diverse range of alpha emitting radioactive isotopes (polonium (Po), radium (Ra), uranium (U), and americium (Am)) from a wide range of aqueous solutions. The nanomaterials include commerciallymore » available magnetite (Fe3O4) and magnetite modified to incorporate manganese (Mn) into the crystal structure. The chemical stability of these nanomaterials was evaluated in Hanford Site, WA ground water between the natural pH (~8) and pH 1. Whereas the magnetite was observed to have good stability over the pH range, the Mn-doped material was observed to leach Mn at low pH. The materials were evaluated in parallel to characterize their uptake performance of the alpha-emitting radionuclide spikes from ground water across a range of pH (from ~8 down to 2). In addition, radiotracer uptake experiments were performed on Columbia River water, seawater, and human urine at their natural pH and at pH 2. Despite the observed leaching of Mn from the Mn-doped nanomaterial in the lower pH range, it exhibited generally superior analyte extraction performance compared to the magnetite, and analyte uptake was observed across a broader pH range. We show that the uptake behavior of the various radiotracers on these two materials at different pH levels can generally be explained by the amphoteric nature of the nanoparticle surfaces. Finally, the rate of sorption of the radiotracers on the two materials in unacidified ground water was evaluated. The uptake curves generally indicate that equilibrium is obtained within a few minutes, which is attributed to the high surface areas of the nanomaterials and the high level of dispersion in the liquids. In sum, our results indicate that these nanomaterials may have the potential to be employed for a range of applications to extract radionuclides from aqueous solutions.« less

Magnetic iron oxide and manganese-doped iron oxide nanoparticles for the collection of alpha-emitting radionuclides from aqueous solutions

DOE PAGES

O'Hara, Matthew J.; Carter, Jennifer C.; Warner, Cynthia L.; ...

2016-10-31

Magnetic nanoparticles are well known to possess chemically active surfaces and large surface areas that can be employed to extract a range of ions from aqueous solutions. In addition, their superparamagnetic properties provide a convenient means for bulk collection of the material from solution after the targeted ions have been adsorbed. We evaluated two nanoscale amphoteric metal oxides, each possessing useful magnetic attributes for their ability to collect trace levels of a chemically diverse range of alpha emitting radioactive isotopes (polonium (Po), radium (Ra), uranium (U), and americium (Am)) from a wide range of aqueous solutions. The nanomaterials include commerciallymore » available magnetite (Fe3O4) and magnetite modified to incorporate manganese (Mn) into the crystal structure. The chemical stability of these nanomaterials was evaluated in Hanford Site, WA ground water between the natural pH (~8) and pH 1. Whereas the magnetite was observed to have good stability over the pH range, the Mn-doped material was observed to leach Mn at low pH. The materials were evaluated in parallel to characterize their uptake performance of the alpha-emitting radionuclide spikes from ground water across a range of pH (from ~8 down to 2). In addition, radiotracer uptake experiments were performed on Columbia River water, seawater, and human urine at their natural pH and at pH 2. Despite the observed leaching of Mn from the Mn-doped nanomaterial in the lower pH range, it exhibited generally superior analyte extraction performance compared to the magnetite, and analyte uptake was observed across a broader pH range. We show that the uptake behavior of the various radiotracers on these two materials at different pH levels can generally be explained by the amphoteric nature of the nanoparticle surfaces. Finally, the rate of sorption of the radiotracers on the two materials in unacidified ground water was evaluated. The uptake curves generally indicate that equilibrium is obtained within a few minutes, which is attributed to the high surface areas of the nanomaterials and the high level of dispersion in the liquids. In sum, our results indicate that these nanomaterials may have the potential to be employed for a range of applications to extract radionuclides from aqueous solutions.« less

Chemical Speciation and Bond Lengths of Organic Solutes by Core-Level Spectroscopy: pH and Solvent Influence on p -Aminobenzoic Acid

DOE PAGES

Stevens, Joanna S.; Gainar, Adrian; Suljoti, Edlira; ...

2015-03-18

Through X-ray absorption and emission spectroscopies, the chemical, electronic and structural properties of organic species in solution can be observed. Near-edge X-ray absorption fine structure (NEXAFS) and resonant inelastic X-ray scattering (RIXS) measurements at the nitrogen K-edge of para-aminobenzoic acid reveal both pH- and solvent-dependent variations in the ionisation potential (IP), 1s→π* resonances and HOMO–LUMO gap. These changes unequivocally identify the chemical species (neutral, cationic or anionic) present in solution. It is shown how this incisive chemical state sensitivity is further enhanced by the possibility of quantitative bond length determination, based on the analysis of chemical shifts in IPs andmore » σ* shape resonances in the NEXAFS spectra. Finally, this provides experimental access to detecting even minor variations in the molecular structure of solutes in solution, thereby providing an avenue to examining computational predictions of solute properties and solute–solvent interactions.« less

Numerical simulation of the interaction between a flowfield and chemical reaction on premixed pulsed jet combustion

NASA Astrophysics Data System (ADS)

Hishida, Manabu; Hayashi, A. Koichi

1992-12-01

Pulsed Jet Combustion (PJC) is numerically simulated using time-dependent, axisymmetric, full Navier-Stokes equations with the mass, momentum, energy, and species conservation equations for a hydrogen-air mixture. A hydrogen-air reaction mechanism is modeled by nine species and nineteen elementary forward and backward reactions to evaluate the effect of the chemical reactions accurately. A point implicit method with the Harten and Yee's non-MUSCL (Monotone Upstream-centerd Schemes for Conservation Laws) modified-flux type TVD (Total Variation Diminishing) scheme is applied to deal with the stiff partial differential equations. Furthermore, a zonal method making use of the Fortified Solution Algorithm (FSA) is applied to simulate the phenomena in the complicated shape of the sub-chamber. The numerical result shows that flames propagating in the sub-chamber interact with pressure waves and are deformed to be wrinkled like a 'tulip' flame and a jet passed through the orifice changes its mass flux quasi-periodically.

Robust forests of vertically aligned carbon nanotubes chemically assembled on carbon substrates.

PubMed

Garrett, David J; Flavel, Benjamin S; Shapter, Joseph G; Baronian, Keith H R; Downard, Alison J

2010-02-02

Forests of vertically aligned carbon nanotubes (VACNTs) have been chemically assembled on carbon surfaces. The structures show excellent stability over a wide potential range and are resistant to degradation from sonication in acid, base, and organic solvent. Acid-treated single-walled carbon nanotubes (SWCNTs) were assembled on amine-terminated tether layers covalently attached to pyrolyzed photoresist films. Tether layers were electrografted to the carbon substrate by reduction of the p-aminobenzenediazonium cation and oxidation of ethylenediamine. The amine-modified surfaces were incubated with cut SWCNTs in the presence of N,N'-dicyclohexylcarbodiimide (DCC), giving forests of vertically aligned carbon nanotubes (VACNTs). The SWCNT assemblies were characterized by scanning electron microscopy, atomic force microscopy, and electrochemistry. Under conditions where the tether layers slow electron transfer between solution-based redox probes and the underlying electrode, the assembly of VACNTs on the tether layer dramatically increases the electron-transfer rate at the surface. The grafting procedure, and hence the preparation of VACNTs, is applicable to a wide range of materials including metals and semiconductors.

Modified polyether-sulfone membrane: a mini review

PubMed Central

Alenazi, Noof A.; Hussein, Mahmoud A.; Alamry, Khalid A.; Asiri, Abdullah M.

2017-01-01

Abstract Polyethersulfone has been widely used as a promising material in medical applications and waste-treatment membranes since it provides excellent mechanical and thermal properties. Hydrophobicity of polyethersulfone is considered one main disadvantage of using this material because hydrophobic surface causes biofouling effects to the membrane which is always thought to be a serious limitation to the use of polyethersulfone in membrane technology. Chemical modification to the material is a promising solution to this problem. More specifically surface modification is an excellent technique to introduce hydrophilic properties and functional groups to the polyethersulfone membrane surface. This review covers chemical modifications of the polyethersulfone and covers different methods used to enhance the hydrophilicity of polyethersulfone membrane. In particular, the addition of amino functional groups to polyethersulfone is used as a fundamental method either to introduce hydrophilic properties or introduce nanomaterials to the surface of polyethersulfone membrane. This work reviews also previous research reports explored the use of amino functionalized polyethersulfone with different nanomaterials to induce biological activity and reduce fouling effects of the fabricated membrane. PMID:29491825

Lipid composition analysis of milk fats from different mammalian species: potential for use as human milk fat substitutes.

PubMed

Zou, Xiaoqiang; Huang, Jianhua; Jin, Qingzhe; Guo, Zheng; Liu, Yuanfa; Cheong, Lingzhi; Xu, Xuebing; Wang, Xingguo

2013-07-24

The lipid compositions of commercial milks from cow, buffalo, donkey, sheep, and camel were compared with that of human milk fat (HMF) based on total and sn-2 fatty acid, triacylglycerol (TAG), phospholipid, and phospholipid fatty acid compositions and melting and crystallization profiles, and their degrees of similarity were digitized and differentiated by an evaluation model. The results showed that these milk fats had high degrees of similarity to HMF in total fatty acid composition. However, the degrees of similarity in other chemical aspects were low, indicating that these milk fats did not meet the requirements of human milk fat substitutes (HMFSs). However, an economically feasible solution to make these milks useful as raw materials for infant formula production could be to modify these fats, and a possible method is blending of polyunsaturated fatty acids (PUFA) and 1,3-dioleoyl-2-palmitoylglycerol (OPO) enriched fats and minor lipids based on the corresponding chemical compositions of HMF.

Modified polyether-sulfone membrane: a mini review.

PubMed

Alenazi, Noof A; Hussein, Mahmoud A; Alamry, Khalid A; Asiri, Abdullah M

2017-01-01

Polyethersulfone has been widely used as a promising material in medical applications and waste-treatment membranes since it provides excellent mechanical and thermal properties. Hydrophobicity of polyethersulfone is considered one main disadvantage of using this material because hydrophobic surface causes biofouling effects to the membrane which is always thought to be a serious limitation to the use of polyethersulfone in membrane technology. Chemical modification to the material is a promising solution to this problem. More specifically surface modification is an excellent technique to introduce hydrophilic properties and functional groups to the polyethersulfone membrane surface. This review covers chemical modifications of the polyethersulfone and covers different methods used to enhance the hydrophilicity of polyethersulfone membrane. In particular, the addition of amino functional groups to polyethersulfone is used as a fundamental method either to introduce hydrophilic properties or introduce nanomaterials to the surface of polyethersulfone membrane. This work reviews also previous research reports explored the use of amino functionalized polyethersulfone with different nanomaterials to induce biological activity and reduce fouling effects of the fabricated membrane.

Modified clay minerals efficiency against chemical and biological warfare agents for civil human protection.

PubMed

Plachá, Daniela; Rosenbergová, Kateřina; Slabotínský, Jiří; Kutláková, Kateřina Mamulová; Studentová, Soňa; Martynková, Gražyna Simha

2014-04-30

Sorption efficiencies of modified montmorillonite and vermiculite of their mono ionic Na and organic HDTMA and HDP forms were studied against chemical and biological warfare agents such as yperite and selected bacterial strains. Yperite interactions with modified clay minerals were observed through its capture in low-density polyethylene foil-modified clay composites by measuring yperite gas permeation with using chemical indication and gas chromatography methods. The antibacterial activities of synthetized organoclays were tested against selected Gram-positive and Gram-negative bacterial species in minimum inhibitory concentration tests. The obtained results showed a positive influence of modified clay minerals on the significant yperite breakthrough-time increase. The most effective material was the polyethylene-Na form montmorillonite, while the polyethylene-Na form vermiculite showed the lowest efficiency. With increasing organic cations loading in the interlayer space the montmorillonite efficiency decreased, and in the case of vermiculite an opposite effect was observed. Generally the modified montmorillonites were more effective than modified vermiculites. The HDP cations seem to be more effective compare to the HDTMA. The antibacterial activity tests confirmed efficiency of all organically modified clay minerals against Gram-positive bacteria. The confirmation of antibacterial activity against Y. pestis, plague bacteria, is the most interesting result of this part of the study. Copyright © 2014 Elsevier B.V. All rights reserved.

Optimization and validation of a minicolumn method for determining aflatoxins in copra meal.

PubMed

Arim, R H; Aguinaldo, A R; Tanaka, T; Yoshizawa, T

1999-01-01

A minicolumn (MC) method for determining aflatoxins in copra meal was optimized and validated. The method uses methanol-4% KCl solution as extractant and CuSO4 solution as clarifying agent. The chloroform extract is applied to an MC that incorporates "lahar," an indigenous material, as substitute for silica gel. The "lahar"-containing MC produces a more distinct and intense blue fluoresence on the Florisil layer than an earlier MC. The method has a detection limit of 15 micrograms total aflatoxins/kg sample. Confirmatory tests using 50% H2SO4 and trifluoroacetic acid in benzene with 25% HNO3 showed that copra meal samples contained aflatoxins and no interfering agents. The MC responses of the copra meal samples were in good agreement with their behavior in thin-layer chromatography. This modified MC method is accurate, giving linearity-valid results; rapid, being done in 15 min; economical, using low-volume reagents; relatively safe, having low-exposure risk of analysts to chemicals; and simple, making its field application feasible.

Adsorption of Ni(II) onto Chemically Modified Spent Grated Coconut (Cocos Nucifera)

NASA Astrophysics Data System (ADS)

Hamzah, F. I.; Khalid, K.; Hanafiah, M. A. K. M.

2017-06-01

A new adsorbent of plant waste origin from coconut processing food factory was explored for removing Ni(II) from aqueous solutions. Several parameters such as pH, dosage, concentration and contact time were studied to obtain optimum conditions for treatment of Ni(II) contaminated wastewater. Spent grated coconut (Cocos nucifera) treated with sulfuric acid (SSGC) showed good adsorption capacity for Ni(II) ion. The amount adsorbed was affected by solution pH with the highest value achieved at pH 5. Other optimum conditions found were; dosage of 0.02 g, and 60 min of equilibrium time. Ni(II) adsorption obeyed the pseudo-second order kinetic model which suggested that chemisorption mechanism occurred in the adsorption process. The equilibrium data presented a better fitting to the Langmuir isotherm model, an indication that monolayer adsorption occurred onto a homogeneous surface. The maximum adsorption capacity, qmax was 97.09 mg g-1, thus SSGC can be classified as good and comparable with other plant waste adsorbents.

Biogeochemical effects of forest vegetation on acid precipitation-related water chemistry: a case study in southwest China.

PubMed

Chen, Jing; Li, Wei; Gao, Fang

2010-10-06

The elemental composition of rainwater, throughfall, and soil solutions of a forest ecosystem in the acid rain control region of southwest China was investigated during 2007-2008 to assess the acid buffering capacity of different forest covers. A possible seasonal distribution of wet deposition was identified. Sulfur was determined as the dominant acidification precursor in this region. The chemical composition of rainfall intercepted by the forest canopy was modified substantially; generally the ion concentrations were increased by dry deposition and foliar leaching. As an exception, the concentration of NH(4)(+) and NO(3)(-) decreased in throughfall, which was probably due to the absorption of nitrogen by the leaves. Elemental concentrations in soil solutions decreased with depth. The water conservation capacity of different forests was also evaluated. The most appropriate forest vegetation for water conservation and remediation of acid precipitation in this region was explored for the sake of ecosystem management, ecological restoration and economic development.

Preparation of multifunctional polysaccharide microcontainers for lipophilic bioactive agents.

PubMed

Borodina, Tatiana N; Grigoriev, Dmitry O; Carillo, Maria A; Hartmann, Jürgen; Moehwald, Helmuth; Shchukin, Dmitry G

2014-05-14

Chitosan/xanthan gum microcontainers with a core-shell structure formed due to chemical interactions between polysaccharide chains induced by ultrasonication are presented. Containers were prepared by sonication of water-immiscible (oil-like) liquids in the solution of polysaccharides. One-step fabrication of the container permanent shell is possible, because of the contribution of ultrasonically caused formation of hydrogen bonds and amide linkages. We synthesized containers in a wide size range from 350 nm to 7500 nm, varying in oil/water ratio. The microcontainers were modified with oppositely charged polyelectrolytes and microparticles, which could be used to impart the specified properties to the system. The biocide 4,5-dichloro-2-n-octyl-4-isothiazoline-3-one (DCOIT) was loaded into the proposed containers by utilizing its solution as an oil phase. The following incorporation of the DCOIT containers into the polymer coating demonstrated more sustained antimicrobial activity (∼30%) of the biocide in the encapsulated state, compared to its non-encapsulated form.

40 CFR 721.10149 - Carbon black, (3-methylphenyl)-modified, substituted (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Carbon black, (3-methylphenyl)-modified, substituted (generic). 721.10149 Section 721.10149 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substance...

40 CFR 721.10149 - Carbon black, (3-methylphenyl)-modified, substituted (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Carbon black, (3-methylphenyl)-modified, substituted (generic). 721.10149 Section 721.10149 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substance...

40 CFR 721.10150 - Carbon black, (4-methylphenyl)-modified, substituted (generic).

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Carbon black, (4-methylphenyl)-modified, substituted (generic). 721.10150 Section 721.10150 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substance...

40 CFR 721.10150 - Carbon black, (4-methylphenyl)-modified, substituted (generic).

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Carbon black, (4-methylphenyl)-modified, substituted (generic). 721.10150 Section 721.10150 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substance...

40 CFR 721.9514 - Ethyl silicate, reaction products with modified alkoxysilane salt (generic).

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Ethyl silicate, reaction products with... Significant New Uses for Specific Chemical Substances § 721.9514 Ethyl silicate, reaction products with.... (1) The chemical substance identified generically as Ethyl silicate, reaction products with modified...

40 CFR 721.9514 - Ethyl silicate, reaction products with modified alkoxysilane salt (generic).

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethyl silicate, reaction products with... Significant New Uses for Specific Chemical Substances § 721.9514 Ethyl silicate, reaction products with.... (1) The chemical substance identified generically as Ethyl silicate, reaction products with modified...

21 CFR 178.3790 - Polymer modifiers in semirigid and rigid vinyl chloride plastics.

Code of Federal Regulations, 2012 CFR

2012-04-01

... chemical reactions, other than addition reactions, occur when they are mixed. (2) Polymers identified in...; provided that no chemical reactions, other than addition reactions, occur when they are combined. Such..., other than addition reactions, occur among the vinyl chloride polymers and the modifying polymers...

21 CFR 178.3790 - Polymer modifiers in semirigid and rigid vinyl chloride plastics.

Code of Federal Regulations, 2013 CFR

2013-04-01

... chemical reactions, other than addition reactions, occur when they are mixed. (2) Polymers identified in...; provided that no chemical reactions, other than addition reactions, occur when they are combined. Such..., other than addition reactions, occur among the vinyl chloride polymers and the modifying polymers...

Exploiting the Modified Colombo-Nyquist Rule for Co-estimating Sub-monthly Gravity Field Solutions from a GRACE-like Mission

NASA Astrophysics Data System (ADS)

Devaraju, B.; Weigelt, M.; Mueller, J.

2017-12-01

In order to suppress the impact of aliasing errors on the standard monthly GRACE gravity-field solutions, co-estimating sub-monthly (daily/two-day) low-degree solutions has been suggested as a solution. The maximum degree of the low-degree solutions is chosen via the Colombo-Nyquist rule of thumb. However, it is now established that the sampling of satellites puts a restriction on the maximum estimable order and not the degree - modified Colombo-Nyquist rule. Therefore, in this contribution, we co-estimate low-order sub-monthly solutions, and compare and contrast them with the low-degree sub-monthly solutions. We also investigate their efficacies in dealing with aliasing errors.

Optoelectronic investigation of nanodiamond interactions with human blood

NASA Astrophysics Data System (ADS)

Ficek, M.; Wróbel, M. S.; Wasowicz, M.; Jedrzejewska-Szczerska, M.

2016-03-01

We present optoelectronic investigation of in vitro interactions of whole human blood with different nanodiamond biomarkers. Plasmo-chemical modifications of detonation nanodiamond particles gives the possibility for controlling their surface for biological applications. Optical investigations reveal the biological activity of nanodiamonds in blood dependent on its surface termination. We compare different types of nanodiamonds: commercial non-modified detonation nanodiamonds, and nanodiamonds modified by MW PACVD method with H2-termination, and chemically modified nanodiamond with O2-termination. The absorption spectra, and optical microscope investigations were conducted. The results indicate haemocompatibility of non-modified detonation nanodiamond as well as modified nanodiamonds, which enables their application for drug delivery, as well as sensing applications.

Ellipsometric studies of synthetic albumin-binding chitosan-derivatives and selected blood plasma proteins

NASA Astrophysics Data System (ADS)

Sarkar, Sabyasachi

This dissertation summarizes work on the synthesis of chitosan-derivatives and the development of ellipsometric methods to characterize materials of biological origin. Albumin-binding chitosan-derivatives were synthesized via addition reactions that involve amine groups naturally present in chitosan. These surfaces were shown to have an affinity towards human serum albumin via ELISA, UV spectroscopy and SDS PAGE. Modified surfaces were characterized with IR ellipsometry at various stages of their synthesis using appropriate optical models. It was found that spin cast chitosan films were anisotropic in nature. All optical models used for characterizing chitosan-derivatives were thus anisotropic. Chemical signal dependence on molecular structure and composition was illustrated via IR spectroscopic ellipsometry (IRSE). An anisotropic optical model of an ensemble of Lorentz oscillators were used to approximate material behavior. The presence of acetic acid in spin-cast non-neutralized chitosan samples was thus shown. IRSE application to biomaterials was also demonstrated by performing a step-wise chemical characterizations during synthesis stages. Protein adsorbed from single protein solutions on these modified surfaces was monitored by visible in-situ variable wavelength ellipsometry. Based on adsorption profiles obtained from single protein adsorption onto silicon surfaces, lumped parameter kinetic models were developed. These models were used to fit experimental data of immunoglobulin-G of different concentrations and approximate conformational changes in fibrinogen adsorption. Biomaterial characterization by ellipsometry was further extended to include characterization of individual protein solutions in the IR range. Proteins in an aqueous environment were characterized by attenuated total internal reflection (ATR) IR ellipsometry using a ZnSe prism. Parameterized dielectric functions were created for individual proteins using Lorentz oscillators. These parameterized dielectric functions were then used to describe the growth and eventual enzymatic degradation of a multilayered IgG structure by dynamic ATR-IR ellipsometry measurements. ATR-IR ellipsometry was also used to observe the specificity of anti-bodies to antigens.

Numerical simulation of weakly ionized hypersonic flow over reentry capsules

NASA Astrophysics Data System (ADS)

Scalabrin, Leonardo C.

The mathematical and numerical formulation employed in the development of a new multi-dimensional Computational Fluid Dynamics (CFD) code for the simulation of weakly ionized hypersonic flows in thermo-chemical non-equilibrium over reentry configurations is presented. The flow is modeled using the Navier-Stokes equations modified to include finite-rate chemistry and relaxation rates to compute the energy transfer between different energy modes. The set of equations is solved numerically by discretizing the flowfield using unstructured grids made of any mixture of quadrilaterals and triangles in two-dimensions or hexahedra, tetrahedra, prisms and pyramids in three-dimensions. The partial differential equations are integrated on such grids using the finite volume approach. The fluxes across grid faces are calculated using a modified form of the Steger-Warming Flux Vector Splitting scheme that has low numerical dissipation inside boundary layers. The higher order extension of inviscid fluxes in structured grids is generalized in this work to be used in unstructured grids. Steady state solutions are obtained by integrating the solution over time implicitly. The resulting sparse linear system is solved by using a point implicit or by a line implicit method in which a tridiagonal matrix is assembled by using lines of cells that are formed starting at the wall. An algorithm that assembles these lines using completely general unstructured grids is developed. The code is parallelized to allow simulation of computationally demanding problems. The numerical code is successfully employed in the simulation of several hypersonic entry flows over space capsules as part of its validation process. Important quantities for the aerothermodynamics design of capsules such as aerodynamic coefficients and heat transfer rates are compared to available experimental and flight test data and other numerical results yielding very good agreement. A sensitivity analysis of predicted radiative heating of a space capsule to several thermo-chemical non-equilibrium models is also performed.

Evaluating Zeolite-Modified Sensors: towards a faster set of chemical sensors

NASA Astrophysics Data System (ADS)

Berna, A. Z.; Vergara, A.; Trincavelli, M.; Huerta, R.; Afonja, A.; Parkin, I. P.; Binions, R.; Trowell, S.

2011-09-01

The responses of zeolite-modified sensors, prepared by screen printing layers of chromium titanium oxide (CTO), were compared to unmodified tin oxide sensors using amplitude and transient responses. For transient responses we used a family of features, derived from the exponential moving average (EMA), to characterize chemo-resistive responses. All sensors were tested simultaneously against 20 individual volatile compounds from four chemical groups. The responses of the two types of sensors showed some independence. The zeolite-modified CTO sensors discriminated compounds better using either amplitude response or EMA features and CTO-modified sensors also responded three times faster.

Exploring plane-symmetric solutions in f(R) gravity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shamir, M. F., E-mail: farasat.shamir@nu.edu.pk

2016-02-15

The modified theories of gravity, especially the f(R) gravity, have attracted much attention in the last decade. This paper is devoted to exploring plane-symmetric solutions in the context of metric f(R) gravity. We extend the work on static plane-symmetric vacuum solutions in f(R) gravity already available in the literature [1, 2]. The modified field equations are solved using the assumptions of both constant and nonconstant scalar curvature. Some well-known solutions are recovered with power-law and logarithmic forms of f(R) models.

Physical and chemical stability of proflavine contrast agent solutions for early detection of oral cancer.

PubMed

Kawedia, Jitesh D; Zhang, Yan-Ping; Myers, Alan L; Richards-Kortum, Rebecca R; Kramer, Mark A; Gillenwater, Ann M; Culotta, Kirk S

2016-02-01

Proflavine hemisulfate solution is a fluorescence contrast agent to visualize cell nuclei using high-resolution optical imaging devices such as the high-resolution microendoscope. These devices provide real-time imaging to distinguish between normal versus neoplastic tissue. These images could be helpful for early screening of oral cancer and its precursors and to determine accurate margins of malignant tissue for ablative surgery. Extemporaneous preparation of proflavine solution for these diagnostic procedures requires preparation in batches and long-term storage to improve compounding efficiency in the pharmacy. However, there is a paucity of long-term stability data for proflavine contrast solutions. The physical and chemical stability of 0.01% (10 mg/100 ml) proflavine hemisulfate solutions prepared in sterile water was determined following storage at refrigeration (4-8℃) and room temperature (23℃). Concentrations of proflavine were measured at predetermined time points up to 12 months using a validated stability-indicating high-performance liquid chromatography method. Proflavine solutions stored under refrigeration were physically and chemically stable for at least 12 months with concentrations ranging from 95% to 105% compared to initial concentration. However, in solutions stored at room temperature increased turbidity and particulates were observed in some of the tested vials at 9 months and 12 months with peak particle count reaching 17-fold increase compared to baseline. Solutions stored at room temperature were chemically stable up to six months (94-105%). Proflavine solutions at concentration of 0.01% were chemically and physically stable for at least 12 months under refrigeration. The solution was chemically stable for six months when stored at room temperature. We recommend long-term storage of proflavine solutions under refrigeration prior to diagnostic procedure. © The Author(s) 2014.

A modified parallel artificial membrane permeability assay for evaluating the bioconcentration of highly hydrophobic chemicals in fish.

PubMed

Kwon, Jung-Hwan; Escher, Beate I

2008-03-01

Low cost in vitro tools are needed at the screening stage of assessment of bioaccumulation potential of new and existing chemicals because the number of chemical substances that needs to be tested highly exceeds the capacity of in vivo bioconcentration tests. Thus, the parallel artificial membrane permeability assay (PAMPA) system was modified to predict passive uptake/ elimination rate in fish. To overcome the difficulties associated with low aqueous solubility and high membrane affinity of highly hydrophobic chemicals, we measured the rate of permeation from the donor poly(dimethylsiloxane)(PDMS) disk to the acceptor PDMS disk through aqueous and PDMS membrane boundary layers and term the modified PAMPA system "PDMS-PAMPA". Twenty chemicals were selected for validation of PDMS-PAMPA. The measured permeability is proportional to the passive elimination rate constant in fish and was used to predict the "minimum" in vivo elimination rate constant. The in vivo data were very close to predicted values except for a few polar chemicals and metabolically active chemicals, such as pyrene and benzo[a]pyrene. Thus, PDMS-PAMPA can be an appropriate in vitro system for nonmetabolizable chemicals. Combination with metabolic clearance rates using a battery of metabolic degradation assays would enhance the applicability for metabolizable chemicals.

[Influence of surface chemical properties and pore structure characteristics of activated carbon on the adsorption of nitrobenzene from aqueous solution].

PubMed

Liu, Shou-Xin; Chen, Xi; Zhang, Xian-Quan

2008-05-01

Commercial activated carbon was treated by HNO3 oxidation and then subsequently heat treated under N2 atmosphere. Effect of surface chemical properties and pore structure on the adsorption performance of nitrobenzene was investigated. N2/77K adsorption isotherm and scanning electron microscopy (SEM) were used to characterize the pore structure and surface morphology of carbon. Boehm titration, Fourier transform infrared spectroscopy (FTIR), the point of zero charge (pH(PZC)) measurement and elemental analysis were used to characterize the surface properties. The results reveal that HNO3 oxidation can modify the surface chemical properties, increase the number of acidic surface oxygen-containing groups and has trivial effect on the pore structure of carbon. Further heat treatment can cause the decomposition of surface oxygen-containing groups, and increase the external surface area and the number of mesopores. Adsorption capacity of nitrobenzene on AC(NO-T), AC(raw) and AC(NO) was 1011.31, 483.09 and 321.54 mg x g(-1), respectively. Larger external surface area and the number of meso-pores, together with the less acid surface oxygen-containing groups were the main reason for the larger adsorption capacity AC(NO-T).

Chemically modified IR-transparent fibers and their application as chemical sensors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kellner, R.A.

1993-12-31

With the advent of chalcogenide- (As-Se-Te), Silverhalide- (AgBrCl) and TeXAs-fibers, the optical window available for analytical chemistry was significantly extended into the MID- and FAR-IR range (2 to 20 {mu}m) recently. These fibers have been chemically modified in our laboratory at 10 cm-distances of their surfaces (A) by covering them with 10-100 {mu}m thick layers of a suitable polymer such as LDPE ({open_quotes}Thickfilm-Sensor{close_quotes}) and (B) by immobilizing specifically reacting enzyme-layers such as GOx ({open_quotes}Thinfilm-Sensor{close_quotes}). In the first case, where the penetration depth of the IR-beam is smaller than the thickness of the polymer layer, a sensor for the simultaneous inmore » situ-determination of chlorinated hydrocarbon traces in water down to 500 ppb could be developed and tested. In the second case, a system for the determination of glucose in complex aqueous solutions was developed, based on the catalytic oxidation of glucose to gluconic acid and hydrogen peroxide by the immobilized enzyme glucose oxidase (GOx) in the physiological range. The GOx-density at the fibers could be significantly enlarged by using S-Layers instead of silanes for immobilization. Secondly, a flow injection-approach was developed recently, which allowed for an even further increase of the enzyme density by separating the reaction- and detection-part of our sensor, using controlled pore glass as carrier for the GOx and tapered chalcogenide fibers for detection. With this system, which works perfectly linear in the physiological range also for urea (with urease) a practical (multi)enzyme-based IR-sensor system is presented for the first time.« less

Antibiotic Algae by Chemical Surface Engineering.

PubMed

Kerschgens, Isabel P; Gademann, Karl

2018-03-02

Chemical cell-surface engineering is a tool for modifying and altering cellular functions. Herein, we report the introduction of an antibiotic phenotype to the green alga Chlamydomonas reinhardtii by chemically modifying its cell surface. Flow cytometry and confocal microscopy studies demonstrated that a hybrid of the antibiotic vancomycin and a 4-hydroxyproline oligomer binds reversibly to the cell wall without affecting the viability or motility of the cells. The modified cells were used to inhibit bacterial growth of Gram-positive Bacillus subtilis cultures. Delivery of the antibiotic from the microalgae to the bacterial cells was verified by microscopy. Our studies provide compelling evidence that 1) chemical surface engineering constitutes a useful tool for the introduction of new, previously unknown functionality, and 2) living microalgae can serve as new platforms for drug delivery. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of three ophthalmic solutions on chemical conjunctivitis in the neonate.

PubMed

Yasunaga, S

1977-02-01

In an attempt to reduce chemical conjunctivitis after silver nitrate prophylaxis, three different ophthalmic solutions (sodium chloride, sterile water, and a boric acid-sodium borate solution) were used to irrigate the eyes immediately after prophylaxis in 450 neonates. Sterile water significantly reduced (P less than .02) the prevalence of chemical conjunctivitis when compared to the conventional sodium chloride rinse. A significantly greater prevalence of chemical irritation in low-birth-weight infants was also noted (P less than .02).

Modified harmonic balance method for the solution of nonlinear jerk equations

NASA Astrophysics Data System (ADS)

Rahman, M. Saifur; Hasan, A. S. M. Z.

2018-03-01

In this paper, a second approximate solution of nonlinear jerk equations (third order differential equation) can be obtained by using modified harmonic balance method. The method is simpler and easier to carry out the solution of nonlinear differential equations due to less number of nonlinear equations are required to solve than the classical harmonic balance method. The results obtained from this method are compared with those obtained from the other existing analytical methods that are available in the literature and the numerical method. The solution shows a good agreement with the numerical solution as well as the analytical methods of the available literature.

Multilayer affinity adsorption of albumin on polymer brushes modified membranes in a continuous-flow system.

PubMed

Hu, Meng-Xin; Li, Xiang; Li, Ji-Nian; Huang, Jing-Jing; Ren, Ge-Rui

2018-02-23

Polymer brushes modified surfaces have been widely used for protein immobilization and isolation. Modification of membranes with polymer brushes increases the surface concentration of affinity ligands used for protein binding. Albumin is one of the transporting proteins and shows a high affinity to bile acids. In this work, the modified membranes with cholic acid-containing polymer brushes can be facilely prepared by the immobilization of cholic acid on the poly(2-hydroxyethyl methacrylate) grafted microporous polypropylene membranes (MPPMs) for affinity adsorption of albumin. ATR/FT-IR and X-ray photoelectron spectroscopy were used to characterize the chemical composition of the modified membranes. Water contact angle measurements were used to analyze the hydrophilic/hydrophobic properties of the membrane surface. The modified MPPMs show a high affinity to albumin and have little non-specific adsorption of hemoglobin. The dynamic binding capacity of albumin in the continous-flow system increases with the cycle number and feed rate as the binding degree of cholic acid is moderate. The highest binding capacity of affinity membranes is about 52.49 g/m 2 membrane, which is about 24 times more than the monolayer binding capacity. These results reveal proteins could be captured in multilayers by the polymer brushes containing affinity ligands similar to the polymer brushes containing ion-exchange groups, which open up the potential of the polymer brushes containing affinity ligands in protein or another components separation. And the cholic acid containing polymer brushes modified membranes has the promising potential for albumin separation and purification rapidly from serum or fermented solution in medical diagnosis and bioseparation. Copyright © 2018 Elsevier B.V. All rights reserved.

The modified alternative (G'/G)-expansion method to nonlinear evolution equation: application to the (1+1)-dimensional Drinfel'd-Sokolov-Wilson equation.

PubMed

Akbar, M Ali; Mohd Ali, Norhashidah Hj; Mohyud-Din, Syed Tauseef

2013-01-01

Over the years, (G'/G)-expansion method is employed to generate traveling wave solutions to various wave equations in mathematical physics. In the present paper, the alternative (G'/G)-expansion method has been further modified by introducing the generalized Riccati equation to construct new exact solutions. In order to illustrate the novelty and advantages of this approach, the (1+1)-dimensional Drinfel'd-Sokolov-Wilson (DSW) equation is considered and abundant new exact traveling wave solutions are obtained in a uniform way. These solutions may be imperative and significant for the explanation of some practical physical phenomena. It is shown that the modified alternative (G'/G)-expansion method an efficient and advance mathematical tool for solving nonlinear partial differential equations in mathematical physics.

Determination of trace amounts of chemical warfare agent degradation products in decontamination solutions with NMR spectroscopy.

PubMed

Koskela, Harri; Rapinoja, Marja-Leena; Kuitunen, Marja-Leena; Vanninen, Paula

2007-12-01

Decontamination solutions are used for an efficient detoxification of chemical warfare agents (CWAs). As these solutions can be composed of strong alkaline chemicals with hydrolyzing and oxidizing properties, the analysis of CWA degradation products in trace levels from these solutions imposes a challenge for any analytical technique. Here, we present results of application of nuclear magnetic resonance spectroscopy for analysis of trace amounts of CWA degradation products in several untreated decontamination solutions. Degradation products of the nerve agents sarin, soman, and VX were selectively monitored with substantially reduced interference of background signals by 1D 1H-31P heteronuclear single quantum coherence (HSQC) spectrometry. The detection limit of the chemicals was at the low part-per-million level (2-10 microg/mL) in all studied solutions. In addition, the concentration of the degradation products was obtained with sufficient confidence with external standards.

Disentangling vortex pinning landscape in chemical solution deposited superconducting YBa2Cu3O7-x films and nanocomposites

NASA Astrophysics Data System (ADS)

Palau, A.; Vallès, F.; Rouco, V.; Coll, M.; Li, Z.; Pop, C.; Mundet, B.; Gàzquez, J.; Guzman, R.; Gutierrez, J.; Obradors, X.; Puig, T.

2018-07-01

In-field angular pinning performances at different temperatures have been analysed on chemical solution deposited (CSD) YBa2Cu3O7-x (YBCO) pristine films and nanocomposites. We show that with this analysis we are able to quantify the vortex pinning strength and energies, associated with different kinds of natural and artificial pinning defects, acting as efficient pinning centres at different regions of the H-T phase diagram. A good quantification of the variety of pinning defects active at different temperatures and magnetic fields provides a unique tool to design the best vortex pinning landscape under different operating conditions. We have found that by artificially introducing a unique defect in the YBCO matrix, the stacking faults, we are able to modify three different contributions to vortex pinning (isotropic-strong, anisotropic-strong, and isotropic-weak). The isotropic-strong contribution, widely studied in CSD YBCO nanocomposites, is associated with nanostrained regions induced at the partial dislocations surrounding the stacking faults. Moreover, the stacking fault itself acts as a planar defect which provides a very effective anisotropic-strong pinning at H//ab. Finally, the large presence of Cu-O cluster vacancies found in the stacking faults have been revealed as a source of isotropic-weak pinning sites, very active at low temperatures and high fields.

Carboxymethyl Cellulose (CMC) from Oil Palm Empty Fruit Bunch (OPEFB) in the new solvent Dimethyl Sulfoxide (DMSO)/Tetrabutylammonium Fluoride (TBAF)

NASA Astrophysics Data System (ADS)

Eliza, M. Y.; Shahruddin, M.; Noormaziah, J.; Rosli, W. D. Wan

2015-06-01

The surplus of Oil Palm is the most galore wastes in Malaysia because it produced about half of the world palm oil production, which contributes a major disposal problem Synthesis from an empty fruit bunch produced products such as Carboxymethyl Cellulose (CMC), could apply in diverse application such as for paper coating, food packaging and most recently, the potential as biomaterials has been revealed. In this study, CMC was prepared by firstly dissolved the bleached pulp from OPEFB in mixture solution of dimethyl sulfoxide(DMSO)/tetrabutylammonium fluoride (TBAF) without any prior chemical modification. It took only 30 minutes to fully dissolve at temperature 60°C before sodium hydroxide (NaOH) were added for activation and monochloroacetateas terrifying agent. The final product is appeared in white powder, which is then will be analyzedby FTIR analysis. FTIR results show peaks appeared at wavenumber between 1609 cm-1 to 1614 cm-1 proved the existence of carboxymethyl groups which substitute OH groups at anhydroglucose(AGU) unit. As a conclusion, mixture solution of DMSO/TBAF is the suitable solvent used for dissolved cellulose before modifying it into CMC with higher Degree of Substitution (DS). Furthermore, the dissolution of the OPEFB bleached pulp was easy, simple and at a faster rate without prior chemical modification at temperature as low as 60°C.