A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders.

PubMed

Sadat, Mohammad Rafat; Bringuier, Stefan; Asaduzzaman, Abu; Muralidharan, Krishna; Zhang, Lianyang

2016-10-07

In this paper, molecular dynamics simulations are used to study the effect of molecular water and composition (Si/Al ratio) on the structure and mechanical properties of fully polymerized amorphous sodium aluminosilicate geopolymer binders. The X-ray pair distribution function for the simulated geopolymer binder phase showed good agreement with the experimentally determined structure in terms of bond lengths of the various atomic pairs. The elastic constants and ultimate tensile strength of the geopolymer binders were calculated as a function of water content and Si/Al ratio; while increasing the Si/Al ratio from one to three led to an increase in the respective values of the elastic stiffness and tensile strength, for a given Si/Al ratio, increasing the water content decreased the stiffness and strength of the binder phase. An atomic-scale analysis showed a direct correlation between water content and diffusion of alkali ions, resulting in the weakening of the AlO 4 tetrahedral structure due to the migration of charge balancing alkali ions away from the tetrahedra, ultimately leading to failure. In the presence of water molecules, the diffusion behavior of alkali cations was found to be particularly anomalous, showing dynamic heterogeneity. This paper, for the first time, proves the efficacy of atomistic simulations for understanding the effect of water in geopolymer binders and can thus serve as a useful design tool for optimizing composition of geopolymers with improved mechanical properties.

Density impact on performance of composite Si/graphite electrodes

DOE PAGES

Dufek, Eric J.; Picker, Michael; Petkovic, Lucia M.

2016-01-27

The ability of alkali-substituted binders for composite Si and graphite negative electrodes to minimize capacity fade for lithium ion batteries is investigated. Polymer films and electrodes are described and characterized by FTIR following immersion in electrolyte (1:2 EC:DMC) for 24 h. FTIR analysis following electrode formation displayed similar alkali-ion dependent shifts in peak location suggesting that changes in the vibrational structure of the binder are maintained after electrode formation. The Si and graphite composite electrodes prepared using the alkali-substituted polyacrylates were also exposed to electrochemical cycling and it has been found that the performance of the Na-substituted binder is superiormore » to a comparable density K-substituted system. However, in comparing performance across many different electrode densities attention needs to be placed on making comparisons at similar densities, as low density electrodes tend to exhibit lower capacity fade over cycling. This is highlighted by a 6% difference between a low density K-substituted electrode and a high density Na-substituted sample. As a result, this low variance between the two systems makes it difficult to quickly make a direct evaluation of binder performance unless electrode density is tightly controlled.« less

Preparation of sorbent pellets with high integrity for sorption of CO.sub.2 from gas streams

DOEpatents

Siriwardane, Ranjani V.

2016-05-10

Method for the production of a CO.sub.2 sorbent prepared by integrating a clay substrate, basic alkali salt, amine liquid, hydraulic binder, and a liquid binder. The basic alkali salt is present relative to the clay substrate in a weight ratio of from about 1 part to about 50 parts per 100 parts of the clay substrate. The amine liquid is present relative to a clay-alkali combination in a weight ratio of from about 1 part to about 10 parts per 10 parts of the clay-alkali combination. The clay substrate and basic alkali salt may be combined in a solid-solid heterogeneous mixture and followed by introduction of the amine liquid. Alternatively, an alkaline solution may be blended with the amine solution prior to contacting the clay substrate. The clay-alkali-amine CO.sub.2 sorbent is particularly advantageous for low temperature CO.sub.2 removal cycles in a gas stream having a CO.sub.2 concentration less than around 2000 ppm and an oxygen concentration around 21%, such as air.

Method of waste stabilization via chemically bonded phosphate ceramics

DOEpatents

Wagh, Arun S.; Singh, Dileep; Jeong, Seung-Young

1998-01-01

A method for regulating the reaction temperature of a ceramic formulation process is provided comprising supplying a solution containing a monovalent alkali metal; mixing said solution with an oxide powder to create a binder; contacting said binder with bulk material to form a slurry; and allowing the slurry to cure. A highly crystalline waste form is also provided consisting of a binder containing potassium and waste substrate encapsulated by the binder.

Method of waste stabilization via chemically bonded phosphate ceramics

DOEpatents

Wagh, A.S.; Singh, D.; Jeong, S.Y.

1998-11-03

A method for regulating the reaction temperature of a ceramic formulation process is provided comprising supplying a solution containing a monovalent alkali metal; mixing said solution with an oxide powder to create a binder; contacting said binder with bulk material to form a slurry; and allowing the slurry to cure. A highly crystalline waste form is also provided consisting of a binder containing potassium and waste substrate encapsulated by the binder. 3 figs.

Ultraviolet reflective coating

NASA Technical Reports Server (NTRS)

Schutt, J. B.

1974-01-01

Composition consists of dispersion of barium sulphate in aqueous solution of water-soluble inorganic binder. Binder is selected from group consisting of alkali metal sulphates. Coating exhibits high reflectance of ultraviolet light to wavelengths of approximately 200.0 nm, which compares favorably with high reflectance of virgin barium sulphate power.

Regenerable sorbents for CO.sub.2 capture from moderate and high temperature gas streams

DOEpatents

Siriwardane, Ranjani V [Morgantown, WV

2008-01-01

A process for making a granular sorbent to capture carbon dioxide from gas streams comprising homogeneously mixing an alkali metal oxide, alkali metal hydroxide, alkaline earth metal oxide, alkaline earth metal hydroxide, alkali titanate, alkali zirconate, alkali silicate and combinations thereof with a binder selected from the group consisting of sodium ortho silicate, calcium sulfate dihydrate (CaSO.sub.4.2H.sub.2O), alkali silicates, calcium aluminate, bentonite, inorganic clays and organic clays and combinations thereof and water; drying the mixture and placing the sorbent in a container permeable to a gas stream.

The use of steel slag in concrete

NASA Astrophysics Data System (ADS)

Martauz, P.; Vaclavik, V.; Cvopa, B.

2017-10-01

This paper presents the results of a research dealing with the use of unstable steel slag as a 100% substitute for natural aggregate in the production of concrete. Portland cement CEM I 42.5N and alkali activated hybrid cement H-CEMENT were used as the binder. The test results confirm the possibility to use steel slag as the filler in the production of concrete.

Fuel agglomerates and method of agglomeration

DOEpatents

Wen, Wu-Wey

1986-01-01

Solid fuel agglomerates are prepared of particulate coal or other carbonaceous material with a binder having a high humic acid or humate salt content. The humic acid is extracted from oxidized carbonaceous material with a mild aqueous alkali solution of, for instance, ammonia. The particulate material is blended with the extract which serves as the binder for the agglomerates. The water-resistant agglomerates are formed such as by pelletizing, followed by drying to remove moisture and solidify the humic acid binder throughout the agglomerate.

Low-CO2 Acid-Base Binders Made with Fly Ash

NASA Astrophysics Data System (ADS)

Erdogan, S. T.

2016-12-01

Portland cement (PC) is the ubiquitous binding material for constructions works in urban areas. It is, however, responsible for 5-10 % of all anthropogenic CO2 emissions, nearly half of which arise from the decomposition of calcareous raw materials, and the other half from kiln fuel combustion and cement clinker grinding operations. As such, PC production contributes to global warming and climate change. Lately, efforts to develop alternative binders with lower greenhouse gas emissions have gained interest. An important class of such binders is geopolymers, typically formed by activating natural or waste materials with suitable alkaline solutions. These binders can have very low CO2 emissions from grinding of the starting materials, and some from the production of the activating chemical but the total CO2 emissions can be as low as 1/5th - 1/10th of those of PC concrete mixtures with comparable properties. Less commonly researched, acidic activating chemicals can also be used with powder materials to produce pastes that can set and harden into durable solids. One such powder is fly ash from coal-burning power plants. This ash is mostly stockpiled and can be an environmental hazard such as exacerbating air pollution in cities. This study investigates the chemical activation of fly ashes from Turkey using solutions of acids such as orthophosphoric acid. Amorphous and crystalline reaction products are observed to form, yielding a strong binder that sets much more rapidly than PC-based mixtures or alkali-activated geopolymers. As the change in the rheological properties and mechanical properties of these pastes can be balanced by combining different ashes, as well as by adjusting solution properties, they can offer environmental, energetic, and economical advantages over conventional PC-based mixtures.

Alkali-activated concrete with Serbian fly ash and its radiological impact.

PubMed

Nuccetelli, Cristina; Trevisi, Rosabianca; Ignjatović, Ivan; Dragaš, Jelena

2017-03-01

The present paper reports the results of a study on different types of fly ash from Serbian coal burning power plants and their potential use as a binder in alkali-activated concrete (AAC) depending on their radiological and mechanical properties. Five AAC mixtures with different types of coal burning fly ash and one type of blast furnace slag were designed. Measurements of the activity concentrations of 40 K, 226 Ra and 232 Th were done both on concrete constituents (fly ash, blast furnace slag and aggregate) and on the five solid AAC samples. Experimental results were compared by using the activity concentration assessment tool for building materials - the activity concentration index I, as introduced by the EU Basic Safety Standards (CE, 2014). All five designed alkali-activated concretes comply with EU BSS screening requirements for indoor building materials. Finally, index I values were compared with the results of the application of a more accurate index - I(ρd), which accounts for thickness and density of building materials (Nuccetelli et al., 2015a). Considering the actual density and thickness of each concrete sample index - I(ρd) values are lower than index I values. As an appendix, a synthesis of main results concerning mechanical and chemical properties is provided. Copyright © 2016 Elsevier Ltd. All rights reserved.

Potential Applications of Alkali-Activated Alumino-Silicate Binders in Military Operations

DTIC Science & Technology

1985-11-01

Geopolymers for Reinforced Plastics/ Composits ," PACTEC 󈨓, Society of Plastic Engineers, Costa Mesa, CA, 1979, pp. 151-153. Davidovits, Joseph. 1983...34 Geopolymers II, Processing and Applications of Ultra-High Temperature, Inorganic Matrix Resin for Cast Composite Structures, Molds and Tools for RP/C and...alumino-silicate hydrates with an approximate composition of 3CaO - AI20 3 • 2i0 2 2120, begin to crystallize. As the gels begin to coalesce, bound water

Integrated approach to modeling long-term durability of concrete engineered barriers in LLRW disposal facility

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

Lee, J.H.; Roy, D.M.; Mann, B.

1995-12-31

This paper describes an integrated approach to developing a predictive computer model for long-term performance of concrete engineered barriers utilized in LLRW and ILRW disposal facilities. The model development concept consists of three major modeling schemes: hydration modeling of the binder phase, pore solution speciation, and transport modeling in the concrete barrier and service environment. Although still in its inception, the model development approach demonstrated that the chemical and physical properties of complex cementitious materials and their interactions with service environments can be described quantitatively. Applying the integrated model development approach to modeling alkali (Na and K) leaching from amore » concrete pad barrier in an above-grade tumulus disposal unit, it is predicted that, in a near-surface land disposal facility where water infiltration through the facility is normally minimal, the alkalis control the pore solution pH of the concrete barriers for much longer than most previous concrete barrier degradation studies assumed. The results also imply that a highly alkaline condition created by the alkali leaching will result in alteration of the soil mineralogy in the vicinity of the disposal facility.« less

Rheological characterization of geopolymer binder modified by organic resins

NASA Astrophysics Data System (ADS)

Cekalová, M.; Kovárík, T.; Rieger, D.

2017-01-01

The purpose of this study is going to investigate properties of alkali-activated powder (calcined kaoilinitic clay and granulated blast furnace slag) prepared as a geopolymer paste and modified by various amount of organic resin. Hybrid organic-inorganic binders were prepared as a mix of organic resin and geopolymer inorganic paste under vacuum conditions. The process of solidification was investigated by measurements of storage (G’) and loss modulus ( G’) in torsion. The measurement was conducted in oscillatory mode by constant strain of 0.01 %. This strain is set in linear visco-elastic region for minimization influence of paste structure. The effect of organic resin is presented and determined by changes of viscosity (‘n*), modules in torsion and tangent of loss angle (tan 8). Results indicate that addition of organic resin significantly affects the initial viscosity and hardening kinetics.

Chemically bonded phospho-silicate ceramics

DOEpatents

Wagh, Arun S.; Jeong, Seung Y.; Lohan, Dirk; Elizabeth, Anne

2003-01-01

A chemically bonded phospho-silicate ceramic formed by chemically reacting a monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and a sparsely soluble oxide, with a sparsely soluble silicate in an aqueous solution. The monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and sparsely soluble oxide are both in powder form and combined in a stochiometric molar ratio range of (0.5-1.5):1 to form a binder powder. Similarly, the sparsely soluble silicate is also in powder form and mixed with the binder powder to form a mixture. Water is added to the mixture to form a slurry. The water comprises 50% by weight of the powder mixture in said slurry. The slurry is allowed to harden. The resulting chemically bonded phospho-silicate ceramic exhibits high flexural strength, high compression strength, low porosity and permeability to water, has a definable and bio-compatible chemical composition, and is readily and easily colored to almost any desired shade or hue.

Adsorption of superplasticizer admixtures on alkali-activated slag pastes

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

Palacios, M.; Houst, Y.F.; Bowen, P.

2009-08-15

Alkali-activated slag (AAS) binders are obtained by a manufacturing process less energy-intensive than ordinary Portland cement (OPC) and involves lower greenhouse gasses emission. These alkaline cements allow the production of high mechanical strength and durable concretes. In the present work, the adsorption of different superplasticizer admixtures (naphthalene-based, melamine-based and a vinyl copolymer) on the slag particles in AAS pastes using alkaline solutions with different pH values have been studied in detail. The effect of the superplasticizers on the yield stress and plastic viscosity of the AAS and OPC pastes have been also evaluated. The results obtained allowed us to concludemore » that the adsorption of the superplasticizers on AAS pastes is independent of the pH of the alkaline solutions used and lower than on OPC pastes. However, the effect of the admixtures on the rheological parameters depends directly on the type and dosage of the superplasticizer as well as of the binder used and, in the case of the AAS, on the pH of the alkaline activator solution. In 11.7-pH NaOH-AAS pastes the dosages of the superplasticizers required to attain similar reduction in the yield stress are ten-fold lower than for Portland cement. In this case the superplasticizers studied show a fluidizing effect considerably higher in 11.7-pH NaOH-AAS pastes than in OPC pastes. In 13.6-pH NaOH-AAS pastes, the only admixture observed to affect the rheological parameters is the naphthalene-based admixture due to its higher chemical stability in such extremely alkaline media.« less

Heteroatom incorporated coke for electrochemical cell electrode

DOEpatents

Lewis, Irwin Charles; Greinke, Ronald Alfred

1997-01-01

This invention relates to an electrode for a coke/alkali metal electrochemical cell comprising: (a) calcined coke particles: (i) that contain at least 0.5 weight percent of nitrogen heteroatoms and at least 1.0 weight percent sulfur heteroatoms, and (ii) that have an average particle size from 2 microns to 40 microns with essentially no particles being greater than 50 microns. (b) a binder This invention also relates to a coke/alkali metal electrochemical cell comprising: (a) an electrode as described above, (b) a non-aqueous electrolytic solution comprising an organic aprotic solvent and an electrically conductive salt, and (c) a counterelectrode.

Chemically modified graphite for electrochemical cells

DOEpatents

Greinke, R.A.; Lewis, I.C.

1998-05-26

This invention relates to chemically modified graphite particles: (a) that are useful in alkali metal-containing electrode of a electrochemical cell comprising: (1) the electrode, (2) a non-aqueous electrolytic solution comprising an organic aprotic solvent which solvent tends to decompose when the electrochemical cell is in use, and an electrically conductive salt of an alkali metal, and (3) a counter electrode; and (b) that are chemically modified with fluorine, chlorine, iodine or phosphorus to reduce such decomposition. This invention also relates to electrodes comprising such chemically modified graphite and a binder and to electrochemical cells containing such electrodes. 3 figs.

Chemically modified graphite for electrochemical cells

DOEpatents

Greinke, Ronald Alfred; Lewis, Irwin Charles

1998-01-01

This invention relates to chemically modified graphite particles: (a) that are useful in alkali metal-containing electrode of a electrochemical cell comprising: (i) the electrode, (ii) a non-aqueous electrolytic solution comprising an organic aprotic solvent which solvent tends to decompose when the electrochemical cell is in use, and an electrically conductive salt of an alkali metal, and (iii) a counterelectrode; and (b) that are chemically modified with fluorine, chlorine, iodine or phosphorus to reduce such decomposition. This invention also relates to electrodes comprising such chemically modified graphite and a binder and to electrochemical cells containing such electrodes.

Hydration of Hybrid Alkaline Cement Containing a Very Large Proportion of Fly Ash: A Descriptive Model

PubMed Central

Garcia-Lodeiro, Inés; Donatello, Shane; Fernández-Jiménez, Ana; Palomo, Ángel

2016-01-01

In hybrid alkaline fly ash cements, a new generation of binders, hydration, is characterized by features found in both ordinary portland cement (OPC) hydration and the alkali activation of fly ash (AAFA). Hybrid alkaline fly ash cements typically have a high fly ash (70 wt % to 80 wt %) and low clinker (20 wt % to 30 wt %) content. The clinker component favors curing at ambient temperature. A hydration mechanism is proposed based on the authors’ research on these hybrid binders over the last five years. The mechanisms for OPC hydration and FA alkaline activation are summarized by way of reference. In hybrid systems, fly ash activity is visible at very early ages, when two types of gel are formed: C–S–H from the OPC and N–A–S–H from the fly ash. In their mutual presence, these gels tend to evolve, respectively, into C–A–S–H and (N,C)–A–S–H. The use of activators with different degrees of alkalinity has a direct impact on reaction kinetics but does not modify the main final products, a mixture of C–A–S–H and (N,C)–A–S–H gels. The proportion of each gel in the mix does, however, depend on the alkalinity generated in the medium. PMID:28773728

Compacted carbon for electrochemical cells

DOEpatents

Greinke, Ronald Alfred; Lewis, Irwin Charles

1997-01-01

This invention provides compacted carbon that is useful in the electrode of an alkali metal/carbon electrochemical cell of improved capacity selected from the group consisting of: (a) coke having the following properties: (i) an x-ray density of at least 2.00 grams per cubic centimeters, (ii) a closed porosity of no greater than 5%, and (iii) an open porosity of no greater than 47%; and (b) graphite having the following properties: (i) an x-ray density of at least 2.20 grams per cubic centimeters, (ii) a closed porosity of no greater than 5%, and (iii) an open porosity of no greater than 25%. This invention also relates to an electrode for an alkali metal/carbon electrochemical cell comprising compacted carbon as described above and a binder. This invention further provides an alkali metal/carbon electrochemical cell comprising: (a) an electrode as described above, (b) a non-aqueous electrolytic solution comprising an organic aprotic solvent and an electrolytically conductive salt and an alkali metal, and (c) a counterelectrode.

Compacted carbon for electrochemical cells

DOEpatents

Greinke, R.A.; Lewis, I.C.

1997-10-14

This invention provides compacted carbon that is useful in the electrode of an alkali metal/carbon electrochemical cell of improved capacity selected from the group consisting of: (a) coke having the following properties: (1) an x-ray density of at least 2.00 grams per cubic centimeters, (2) a closed porosity of no greater than 5%, and (3) an open porosity of no greater than 47%; and (b) graphite having the following properties: (1) an x-ray density of at least 2.20 grams per cubic centimeters, (2) a closed porosity of no greater than 5%, and (3) an open porosity of no greater than 25%. This invention also relates to an electrode for an alkali metal/carbon electrochemical cell comprising compacted carbon as described above and a binder. This invention further provides an alkali metal/carbon electrochemical cell comprising: (a) an electrode as described above, (b) a non-aqueous electrolytic solution comprising an organic aprotic solvent and an electrolytically conductive salt and an alkali metal, and (c) a counter electrode. 10 figs.

A simple model for metal cation-phosphate interactions in nucleic acids in the gas phase: alkali metal cations and trimethyl phosphate.

PubMed

Ruan, Chunhai; Huang, Hai; Rodgers, M T

2008-02-01

Threshold collision-induced dissociation techniques are employed to determine the bond dissociation energies (BDEs) of complexes of alkali metal cations to trimethyl phosphate, TMP. Endothermic loss of the intact TMP ligand is the only dissociation pathway observed for all complexes. Theoretical calculations at the B3LYP/6-31G* level of theory are used to determine the structures, vibrational frequencies, and rotational constants of neutral TMP and the M+(TMP) complexes. Theoretical BDEs are determined from single point energy calculations at the B3LYP/6-311+G(2d,2p) level using the B3LYP/6-31G* optimized geometries. The agreement between theory and experiment is reasonably good for all complexes except Li+(TMP). The absolute M+-(TMP) BDEs are found to decrease monotonically as the size of the alkali metal cation increases. No activated dissociation was observed for alkali metal cation binding to TMP. The binding of alkali metal cations to TMP is compared with that to acetone and methanol.

Heteroatom incorporated coke for electrochemical cell electrode

DOEpatents

Lewis, I.C.; Greinke, R.A.

1997-06-17

This invention relates to an electrode for a coke/alkali metal electrochemical cell comprising: (a) calcined coke particles: (1) that contain at least 0.5 weight percent of nitrogen heteroatoms and at least 1.0 weight percent sulfur heteroatoms, and (2) that have an average particle size from 2 microns to 40 microns with essentially no particles being greater than 50 microns and (b) a binder. This invention also relates to a coke/alkali metal electrochemical cell comprising: (a) an electrode as described above, (b) a non-aqueous electrolytic solution comprising an organic aprotic solvent and an electrically conductive salt, and (c) a counterelectrode. 5 figs.

An investigation of the effect of migratory type corrosion inhibitor on mechanical properties of zeolite-based novel geopolymers

NASA Astrophysics Data System (ADS)

Auqui, Nestor Ulloa; Baykara, Haci; Rigail, Andres; Cornejo, Mauricio H.; Villalba, Jose Luis

2017-10-01

The effects of migratory type corrosion inhibitor and curing time on the thermal stability and mechanical properties of Ecuadorian natural zeolite-based geopolymers were evaluated. Geopolymer samples were prepared by alkali activation of the natural zeolite by 8 M NaOH solution and calcium hydroxide Ca(OH)2 1-3 wt%, with an activator/binder ratio of 0.6. The geopolymer samples cured for 24 h at 40 °C and then for 6 days more at room temperature showed the compressive strength values in a range of 3-5,5 MPa. Mineralogical analysis of natural zeolite obtained by XRD is as follows: Mordenite (∼67%), quartz (∼27%) and amorphous (∼6%). SEM-EDS micrographs analysis of geopolymers revealed the presence of Na and Ca which proves the incorporation of the activators, NaOH and Ca(OH)2. The compressive strength values obtained indicate that the use of alkali activation of natural zeolites is an effective method for the synthesis of geopolymers. The mechanical properties of geopolymers were slightly but not adversely affected by the addition of the migratory corrosion inhibitor, MCI-2005 NS. These results will be used in future research on geopolymer concrete with embedded reinforcing steel.

Novel, inorganic composites using porous, alkali-activated, aluminosilicate binders

NASA Astrophysics Data System (ADS)

Musil, Sean

Geopolymers are an inorganic polymeric material composed of alumina, silica, and alkali metal oxides. Geopolymers are chemical and fire resistant, can be used as refractory adhesives, and are processed at or near ambient temperature. These properties make geopolymer an attractive choice as a matrix material for elevated temperature composites. This body of research investigated numerous different reinforcement possibilities and variants of geopolymer matrix material and characterized their mechanical performance in tension, flexure and flexural creep. Reinforcements can then be chosen based on the resulting properties to tailor the geopolymer matrix composites to a specific application condition. Geopolymer matrix composites combine the ease of processing of polymer matrix composites with the high temperature capability of ceramic matrix composites. This study incorporated particulate, unidirectional fiber and woven fiber reinforcements. Sodium, potassium, and cesium based geopolymer matrices were evaluated with cesium based geopolymer showing great promise as a high temperature matrix material. It showed the best strength retention at elevated temperature, as well as a very low coefficient of thermal expansion when crystallized into pollucite. These qualities made cesium geopolymer the best choice for creep resistant applications. Cesium geopolymer binders were combined with unidirectional continuous polycrystalline mullite fibers (Nextel(TM) 720) and single crystal mullite fibers, then the matrix was crystallized to form cubic pollucite. Single crystal mullite fibers were obtained by the internal crystallization method and show excellent creep resistance up to 1400°C. High temperature flexural strength and flexural creep resistance of pollucite and polycrystalline/single-crystal fibers was evaluated at 1000-1400°C.

Prediction of chemical speciation in stabilized/solidified wastes using a general chemical equilibrium model. Part 1: Chemical representation of cementitious binders

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

Park, J.Y.; Batchelor, B.

1999-03-01

Chemical equilibrium models are useful to evaluate stabilized/solidified waste. A general equilibrium model, SOLTEQ, a modified version of MINTEQA2 for S/S, was applied to predict the chemical speciations in the stabilized/solidified waste form. A method was developed to prepare SOLTEQ input data that can chemically represent various stabilized/solidified binders. Taylor`s empirical model was used to describe partitioning of alkali ions. As a result, SOLTEQ could represent chemical speciation in pure binder systems such as ordinary Portland cement and ordinary Portland cement + fly ash. Moreover, SOLTEQ could reasonably describe the effects on the chemical speciation due to variations in water-to-cement,more » fly ash contents, and hydration times of various binder systems. However, this application of SOLTEQ was not accurate in predicting concentrations of Ca, Si, and SO{sub 4} ions, due to uncertainties in the CSH solubility model and K{sub sp} values of cement hydrates at high pH values.« less

Structure Elucidation of Coxsackievirus A16 in Complex with GPP3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses.

PubMed

De Colibus, Luigi; Wang, Xiangxi; Tijsma, Aloys; Neyts, Johan; Spyrou, John A B; Ren, Jingshan; Grimes, Jonathan M; Puerstinger, Gerhard; Leyssen, Pieter; Fry, Elizabeth E; Rao, Zihe; Stuart, David I

2015-10-01

The replication of enterovirus 71 (EV71) and coxsackievirus A16 (CVA16), which are the major cause of hand, foot and mouth disease (HFMD) in children, can be inhibited by the capsid binder GPP3. Here, we present the crystal structure of CVA16 in complex with GPP3, which clarifies the role of the key residues involved in interactions with the inhibitor. Based on this model, in silico docking was performed to investigate the interactions with the two next-generation capsid binders NLD and ALD, which we show to be potent inhibitors of a panel of enteroviruses with potentially interesting pharmacological properties. A meta-analysis was performed using the available structural information to obtain a deeper insight into those structural features required for capsid binders to interact effectively and also those that confer broad-spectrum anti-enterovirus activity.

Cesium and Strontium Retentions Governed by Aluminosilicate Gel in Alkali-Activated Cements

PubMed Central

Jang, Jeong Gook; Park, Sol Moi; Lee, Haeng Ki

2017-01-01

The present study investigates the retention mechanisms of cesium and strontium for alkali-activated cements. Retention mechanisms such as adsorption and precipitation were examined in light of chemical interactions. Batch adsorption experiments and multi-technical characterizations by using X-ray diffraction, zeta potential measurements, and the N2 gas adsorption/desorption methods were conducted for this purpose. Strontium was found to crystalize in alkali-activated cements, while no cesium-bearing crystalline phases were detected. The adsorption kinetics of alkali-activated cements having relatively high adsorption capacities were compatible with pseudo-second-order kinetic model, thereby suggesting that it is governed by complex multistep adsorption. The results provide new insight, demonstrating that characteristics of aluminosilicate gel with a highly negatively charged surface and high micropore surface area facilitated more effective immobilization of cesium and strontium in comparison with calcium silicate hydrates. PMID:28772803

In-situ Click Reaction Coupled with Quantitative Proteomics for Identifying Protein Targets of Catechol Estrogens.

PubMed

Liang, Huei-Chen; Liu, Yi-Chen; Chen, Hsin; Ku, Ming Chun; Do, Quynh-Trang; Wang, Chih-Yen; Tzeng, Shun-Fen; Chen, Shu-Hui

2018-06-13

Catechol estrogens (CEs) are metabolic electrophiles that actively undergo covalent interaction with cellular proteins, influencing molecular function. There is no feasible method to identify their binders in a living system. Herein, we developed a click chemistry-based approach using ethinylestradiol (EE2) as the precursor probe coupled with quantitative proteomics to identify protein targets of CEs and classify their binding strengths. Using in-situ metabolic conversion and click reaction in liver microsomes, CEs-protein complex was captured by the probe, digested by trypsin, stable isotope labeled via reductive amination, and analyzed by liquid chromatography-mass spectrometry (LC-MS). A total of 334 liver proteins were repeatedly identified (n  2); 274 identified proteins were classified as strong binders based on precursor mass mapping. The binding strength was further scaled by D/H ratio (activity probe/solvent): 259 strong binders had D/H > 5.25; 46 weak binders had 5.25 > D/H > 1; 5 non-specific binders (keratins) had D/H < 1. These results were confirmed using spiked covalent control (strong binder) and noncovalent control (weak binder), as well as in vitro testing of cytochrome c (D/H = 5.9) which showed covalent conjugation with CEs. Many identified strong binders, such as glutathione transferase, catechol-O-methyl transferase, superoxide dismutase, catalase, glutathione peroxidase, and cytochrome c, are involved in cellular redox processes or detoxification activities. CE conjugation was shown to suppress the superoxide oxidase activity of cytochrome c, suggesting that CEs modification may alter the redox action of cellular proteins. Due to structural similarity and inert alkyne group, EE2 probe is very likely to capture protein targets of CEs in general. Thus, this strategy can be adopted to explore the biological impact of CEs modification in living systems.

Experimental Study on Full-Scale Beams Made by Reinforced Alkali Activated Concrete Undergoing Flexure.

PubMed

Monfardini, Linda; Minelli, Fausto

2016-08-30

Alkali Activated Concrete (AAC) is an alternative kind of concrete that uses fly ash as a total replacement of Portland cement. Fly ash combined with alkaline solution and cured at high temperature reacts to form a binder. Four point bending tests on two full scale beams made with AAC are described in this paper. Companion small material specimens were also casted with the aim of properly characterizing this new tailored material. The beam's length was 5000 mm and the cross section was 200 mm × 300 mm. The AAC consisted of fly ash, water, sand 0-4 mm and coarse aggregate 6-10 mm; and the alkaline solution consisted of sodium hydroxide mixed with sodium silicate. No cement was utilized. The maximum aggregate size was 10 mm; fly ash was type F, containing a maximum calcium content of 2%. After a rest period of two days, the beam was cured at 60 °C for 24 h. Data collected and critically discussed included beam deflection, crack patterns, compressive and flexural strength and elastic modulus. Results show how AAC behavior is comparable with Ordinary Portland Cement (OPC) based materials. Nonlinear numerical analyses are finally reported, promoting a better understanding of the structural response.

Experimental Study on Full-Scale Beams Made by Reinforced Alkali Activated Concrete Undergoing Flexure

PubMed Central

Monfardini, Linda; Minelli, Fausto

2016-01-01

Alkali Activated Concrete (AAC) is an alternative kind of concrete that uses fly ash as a total replacement of Portland cement. Fly ash combined with alkaline solution and cured at high temperature reacts to form a binder. Four point bending tests on two full scale beams made with AAC are described in this paper. Companion small material specimens were also casted with the aim of properly characterizing this new tailored material. The beam’s length was 5000 mm and the cross section was 200 mm × 300 mm. The AAC consisted of fly ash, water, sand 0–4 mm and coarse aggregate 6–10 mm; and the alkaline solution consisted of sodium hydroxide mixed with sodium silicate. No cement was utilized. The maximum aggregate size was 10 mm; fly ash was type F, containing a maximum calcium content of 2%. After a rest period of two days, the beam was cured at 60 °C for 24 h. Data collected and critically discussed included beam deflection, crack patterns, compressive and flexural strength and elastic modulus. Results show how AAC behavior is comparable with Ordinary Portland Cement (OPC) based materials. Nonlinear numerical analyses are finally reported, promoting a better understanding of the structural response. PMID:28773861

Preparation and characterization of a hybrid alkaline binder based on a fly ash with no commercial value

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

Mejia, Johanna M.; Rodriguez, Erich; Mejia de Gutierrez, Ruby

2015-05-18

Alkali-activated Portland fly ash cement (FA/OPC) and alkali activated blast furnace slag-fly ash cement (FA/GBFS) were prepared using 70% of a low quality fly ash (FA). The low quality is associated with a high content of unburned material (loss of ignition of 14.6%). The hybrid cements were activated by the alkaline solution in order to obtain an overall SiO 2/Al 2O 3 molar ratio of 5.0 and 6.0 and unique overall Na 2O/SiO 2 molar ratio of 0.21. The microstructural characterization of the blended pastes generated in the systems showed the coexistence of amorphous gels C-A-S-H and N-A-S-H gels inmore » the hybrid systems. The addition of OPC or GBFS increases the compressive strength (at 28 days of curing) up to 127% compared with the geopolymer systems based only on FA used in this study. The content of silicates soluble also plays an important role in the reaction products and higher SiO 2/Al 2O 3 lead to obtain higher mechanical performance and denser structure. The results obtained show that these hybrid cements are an effective way for valorization the waste used in this study for the production of high strength and low-carbon footprint cement-type material.« less

Uncharged positive electrode composition

DOEpatents

Kaun, Thomas D.; Vissers, Donald R.; Shimotake, Hiroshi

1977-03-08

An uncharged positive-electrode composition contains particulate lithium sulfide, another alkali metal or alkaline earth metal compound other than sulfide, e.g., lithium carbide, and a transition metal powder. The composition along with a binder, such as electrolytic salt or a thermosetting resin is applied onto an electrically conductive substrate to form a plaque. The plaque is assembled as a positive electrode within an electrochemical cell opposite to a negative electrode containing a material such as aluminum or silicon for alloying with lithium. During charging, lithium alloy is formed within the negative electrode and transition metal sulfide such as iron sulfide is produced within the positive electrode. Excess negative electrode capacity over that from the transition metal sulfide is provided due to the electrochemical reaction of the other than sulfide alkali metal or alkaline earth metal compound.

Characterisation and properties of alkali activated pozzolanic materials

NASA Astrophysics Data System (ADS)

Bordeian, Georgeta Simona

Many of the waste materials produced from modem heavy industries are pozzalans, which develop cementitious properties when finely divided in the presence of free lime. This property allows a potential industrial use for this waste as a cement replacement material in concrete. An example of such a waste material is blast furnace slag from the smelting of iron and steel. The US produces 26 million tons of blast furnace slag annually. Most of the slag is slowly cooled in air and it makes a poor pozzolan. Only 1.6 million tons of the slag is available in the granulated form, which is suitable as a cementitious and pozzolanic admixture. Most European countries are well endowed with coal-fired power stations and this produces fly and bottom ash, flue gas desulphurisation (FGD) gypsum. However, less than 25% of the total ash from power stations has found an industrial use mainly in cement and concrete industry. This creates a massive waste-disposal problem. Disposal of unused fly ash in open tips and ponds, for example, creates pollution problems since the drainage of effluents from the ash in the deposit ponds threaten water supplies by polluting the ground water with traces of toxic chemicals.Recent research has concentrated on the alkali activation of waste pozzolanic materials, especially ground blast furnace slag. This thesis has investigated the alkali activation of low calcium fly ashes. These form very poor pozzolans and the alkali activation of the fly ash offers the opportunity for the large scale use of fly ash. Water glass was selected as a suitable activator for the fly ash. A comprehensive series of tests have been carried out to gain information on the effect of different parameters, such as proportion and composition of the constituent materials, curing conditions and casting methods, in developing high performance construction materials. Laboratory investigations were carried out to determine the following characteristics of alkali activated materials: density, water absorption, apparent porosity and coefficient of saturation, drying shrinkage, compressive creep, compressive, flexural and tensile splitting strength, dynamic modulus of elasticity, accelerated weathering (freeze-thaw cycle) resistance, fire resistance (temperatures up to 600°C), microstructure, macrostructure and investigation of hydration phases by SEM, ED AX, Digital-mapping and X-ray diffraction.The influence of key parameters e.g. slag content, curing method, water/binder ratio and water glass hardener content on the mechanical properties were determined. Optimisation of the alkali-activation of fly ash materials was achieved by blending this with other pozzolans such as silica fume and slags. Mechanical properties were further improved by using moulding pressures and by thermal treatment. The use of short fibre reinforcements was investigated to overcome microcracking, volumetric deformation and creep in the materials. The free shrinkage and creep of the materials agree with the model developed by Mangat and Azari for fibre reinforced Portland cement composites. Other additives were also investigated to improve workability, frost and water resistance and physical properties of the alkali activated materials. The fundamental relationships between chemical composition, hydration phases,microstructure and engineering properties (strength, durability and stability) of alkali activated materials were investigated. It is clear that strength development is a function of the hydration products developed and these are affected by the mix composition and the curing temperature. The current work found parameters such as the Si/Al ratio, the Ca/Si ratio and the Na20 content to be important. These chemical parameters decide the principal phases in the hydration products formed in alkali activated materials, between calcium silicate hydrate (C-S-H) and zeolite of the form (R[2]0 n Al[2]O[3] x SiO[2] r H[2]O).Overall the thesis shows the great potential of alkali activated materials to produce high strength construction materials. Limitation in the shrinkage of the materials can be overcome by the use of fibre reinforcement. At the end of the thesis limitations and suggestions for further work are made.

New cementitious system: The case of glass frit

NASA Astrophysics Data System (ADS)

Fares, Galal

Canada ranks as the world's third largest aluminium producer, and more than 80% of its aluminum industry is concentrated in Quebec. However, the spent pot-liner waste produced by the aluminium smelters accumulates with time into a considerable amount threatening the Canadian environment, especially that of Quebec. A new-engineered material, known as glass fit (GF) has been developed through the chemical treatment of such waste. GF shows potential hydraulic and pozzolanic properties. GF has been studied as a binder itself and as a supplementary cementitious material (SCM). The activation of industrial by-products into clinkerless binders is a novel trend that has attracted the attention of many researchers. The activation of GF into binder to produce paste, mortar and concrete was the first aim of this study. Potential activation of GF using different types and combinations of inorganic activators and temperatures of activation was successfully achieved and high strength concretes were obtained. Moreover, mortars with high compressive strength were obtained with well-formulated activators at ambient temperature. On the other hand, the utilization of industrial by-products as a partial replacement for cement in concrete is a widespread practice. As GF contains a high concentration of sodium in its structure, there is a concern as to the effect of sodium content on the development of alkali-silica reaction (ASR) expansion of concrete. Therefore, this study also aimed to investigate the effect of GF sodium content in the enhancement of ASR expansion and to find new synergistic mixtures that can effectively mitigate ASR expansion in the long term. We observed that ASR expansion decreases with the replacement level of GF. Different synergistic diagrams containing known SCM (silica fume, fly ash, and slag) were achieved from which different effective mixtures can effectively alleviate ASR expansion. In conclusion, the use of GF in the manufacture of concrete has great benefits. Economically, it could save millions of Canadian dollars needed for the treatment and landfilling of spent pot-liner waste. Ecologically, it could reduce GHG emissions associated with the production of cement clinkers. In this study, most of the well-known by-products are used according to the sustainability theory.

The Synergy Between Total Scattering and Advanced Simulation Techniques: Quantifying Geopolymer Gel Evolution

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

White, Claire; Bloomer, Breaunnah E.; Provis, John L.

2012-05-16

With the ever increasing demands for technologically advanced structural materials, together with emerging environmental consciousness due to climate change, geopolymer cement is fast becoming a viable alternative to traditional cements due to proven mechanical engineering characteristics and the reduction in CO2 emitted (approximately 80% less CO2 emitted compared to ordinary Portland cement). Nevertheless, much remains unknown regarding the kinetics of the molecular changes responsible for nanostructural evolution during the geopolymerization process. Here, in-situ total scattering measurements in the form of X-ray pair distribution function (PDF) analysis are used to quantify the extent of reaction of metakaolin/slag alkali-activated geopolymer binders, includingmore » the effects of various activators (alkali hydroxide/silicate) on the kinetics of the geopolymerization reaction. Restricting quantification of the kinetics to the initial ten hours of reaction does not enable elucidation of the true extent of the reaction, but using X-ray PDF data obtained after 128 days of reaction enables more accurate determination of the initial extent of reaction. The synergies between the in-situ X-ray PDF data and simulations conducted by multiscale density functional theory-based coarse-grained Monte Carlo analysis are outlined, particularly with regard to the potential for the X-ray data to provide a time scale for kinetic analysis of the extent of reaction obtained from the multiscale simulation methodology.« less

Method And Apparatus For Detecting Chemical Binding

DOEpatents

Warner, Benjamin P.; Havrilla, George J.; Miller, Thomasin C.; Wells, Cyndi A.

2005-02-22

The method for screening binding between a target binder and potential pharmaceutical chemicals involves sending a solution (preferably an aqueous solution) of the target binder through a conduit to a size exclusion filter, the target binder being too large to pass through the size exclusion filter, and then sending a solution of one or more potential pharmaceutical chemicals (preferably an aqueous solution) through the same conduit to the size exclusion filter after target binder has collected on the filter. The potential pharmaceutical chemicals are small enough to pass through the filter. Afterwards, x-rays are sent from an x-ray source to the size exclusion filter, and if the potential pharmaceutical chemicals form a complex with the target binder, the complex produces an x-ray fluorescence signal having an intensity that indicates that a complex has formed.

Method and apparatus for detecting chemical binding

DOEpatents

Warner, Benjamin P [Los Alamos, NM; Havrilla, George J [Los Alamos, NM; Miller, Thomasin C [Los Alamos, NM; Wells, Cyndi A [Los Alamos, NM

2007-07-10

The method for screening binding between a target binder and potential pharmaceutical chemicals involves sending a solution (preferably an aqueous solution) of the target binder through a conduit to a size exclusion filter, the target binder being too large to pass through the size exclusion filter, and then sending a solution of one or more potential pharmaceutical chemicals (preferably an aqueous solution) through the same conduit to the size exclusion filter after target binder has collected on the filter. The potential pharmaceutical chemicals are small enough to pass through the filter. Afterwards, x-rays are sent from an x-ray source to the size exclusion filter, and if the potential pharmaceutical chemicals form a complex with the target binder, the complex produces an x-ray fluorescence signal having an intensity that indicates that a complex has formed.

DFT study of the interaction between DOTA chelator and competitive alkali metal ions.

PubMed

Frimpong, E; Skelton, A A; Honarparvar, B

2017-09-01

1, 4, 7, 10-tetraazacyclododecane-1, 4, 7, 10-tetracetic acid (DOTA) is an important chelator for radiolabeling of pharmaceuticals. The ability of alkali metals found in the body to complex with DOTA and compete with radio metal ions can alter the radiolabeling process. Non-covalent interactions between DOTA complexed with alkali metals Li + , Na + , K + and Rb + , are investigated with density functional theory using B3LYP and ωB97XD functionals. Conformational possibilities of DOTA were explored with a varying number of carboxylic pendant arms of DOTA in close proximity to the ions. It is found that the case in which four arms of DOTA are interacting with ions is more stable than other conformations. The objective of this study is to explore the electronic structure properties upon complexation of alkali metals Li + Na + , K + and Rb + with a DOTA chelator. Interaction energies, relaxation energies, entropies, Gibbs free energies and enthalpies show that the stability of DOTA, complexed with alkali metals decreases down the group of the periodic table. Implicit water solvation affects the complexation of DOTA-ions leading to decreases in the stability of the complexes. NBO analysis through the natural population charges and the second order perturbation theory, revealed a charge transfer between DOTA and alkali metals. Conceptual DFT-based properties such as HOMO/LUMO energies, ΔE HOMO-LUMO and chemical hardness and softness indicated a decrease in the chemical stability of DOTA-alkali metal complexes down the alkali metal series. This study serves as a guide to researchers in the field of organometallic chelators, particularly, radiopharmaceuticals in finding the efficient optimal match between chelators and various metal ions. Copyright © 2017 Elsevier Inc. All rights reserved.

Method Of Characterizing An Electrode Binder

DOEpatents

Cocciantelli, Jean-Michel; Coco, Isabelle; Villenave, Jean-Jacques

1999-05-11

In a method of characterizing a polymer binder for cell electrodes in contact with an electrolyte and including a current collector and a paste containing an electrochemically active material and said binder, a spreading coefficient of the binder on the active material is calculated from the measured angle of contact between standard liquids and the active material and the binder, respectively. An interaction energy of the binder with the electrolyte is calculated from the measured angle of contact between the electrolyte and the binder. The binder is selected such that the spreading coefficient is less than zero and the interaction energy is at least 60 mJ/m.sup.2.

A Photoluminescence Study of the Changes Induced in the Zinc White Pigment by Formation of Zinc Complexes

PubMed Central

Artesani, Alessia; Gherardi, Francesca; Nevin, Austin; Valentini, Gianluca; Comelli, Daniela

2017-01-01

It is known that oil paintings containing zinc white are subject to rapid degradation. This is caused by the interaction between the active groups of binder and the metal ions of the pigment, which gives rise to the formation of new zinc complexes (metal soaps). Ongoing studies on zinc white paints have been limited to the chemical mechanisms that lead to the formation of zinc complexes. On the contrary, little is known of the photo-physical changes induced in the zinc oxide crystal structure following this interaction. Time-resolved photoluminescence spectroscopy has been applied to follow modifications in the luminescent zinc white pigment when mixed with binder. Significant changes in trap state photoluminescence emissions have been detected: the enhancement of a blue emission combined with a change of the decay kinetic of the well-known green emission. Complementary data from molecular analysis of paints using Fourier transform infrared spectroscopy confirms the formation of zinc carboxylates and corroborates the mechanism for zinc complexes formation. We support the hypothesis that zinc ions migrate into binder creating novel vacancies, affecting the photoluminescence intensity and lifetime properties of zinc oxide. Here, we further demonstrate the advantages of a time-resolved photoluminescence approach for studying defects in semiconductor pigments. PMID:28772700

Grafting of functional motifs onto protein scaffolds identified by PDB screening--an efficient route to design optimizable protein binders.

PubMed

Tlatli, Rym; Nozach, Hervé; Collet, Guillaume; Beau, Fabrice; Vera, Laura; Stura, Enrico; Dive, Vincent; Cuniasse, Philippe

2013-01-01

Artificial miniproteins that are able to target catalytic sites of matrix metalloproteinases (MMPs) were designed using a functional motif-grafting approach. The motif corresponded to the four N-terminal residues of TIMP-2, a broad-spectrum protein inhibitor of MMPs. Scaffolds that are able to reproduce the functional topology of this motif were obtained by exhaustive screening of the Protein Data Bank (PDB) using STAMPS software (search for three-dimensional atom motifs in protein structures). Ten artificial protein binders were produced. The designed proteins bind catalytic sites of MMPs with affinities ranging from 450 nm to 450 μm prior to optimization. The crystal structure of one artificial binder in complex with the catalytic domain of MMP-12 showed that the inter-molecular interactions established by the functional motif in the artificial binder corresponded to those found in the MMP-14-TIMP-2 complex, albeit with some differences in geometry. Molecular dynamics simulations of the ten binders in complex with MMP-14 suggested that these scaffolds may allow partial reproduction of native inter-molecular interactions, but differences in geometry and stability may contribute to the lower affinity of the artificial protein binders compared to the natural protein binder. Nevertheless, these results show that the in silico design method used provides sets of protein binders that target a specific binding site with a good rate of success. This approach may constitute the first step of an efficient hybrid computational/experimental approach to protein binder design. © 2012 The Authors Journal compilation © 2012 FEBS.

Analysis of Long-Range Interaction in Lithium-Ion Battery Electrodes

DOE PAGES

Mistry, Aashutosh; Juarez-Robles, Daniel; Stein, Malcolm; ...

2016-12-01

The lithium-ion battery (LIB) electrode represents a complex porous composite, consisting of multiple phases including active material (AM), conductive additive, and polymeric binder. This study proposes a mesoscale model to probe the effects of the cathode composition, e.g., the ratio of active material, conductive additive, and binder content, on the electrochemical properties and performance. The results reveal a complex nonmonotonic behavior in the effective electrical conductivity as the amount of conductive additive is increased. Insufficient electronic conductivity of the electrode limits the cell operation to lower currents. Once sufficient electron conduction (i.e., percolation) is achieved, the rate performance can bemore » a strong function of ion-blockage effect and pore phase transport resistance. In conclusion, even for the same porosity, different arrangements of the solid phases may lead to notable difference in the cell performance, which highlights the need for accurate microstructural characterization and composite electrode preparation strategies.« less

Analysis of Long-Range Interaction in Lithium-Ion Battery Electrodes

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

Mistry, Aashutosh; Juarez-Robles, Daniel; Stein, Malcolm

The lithium-ion battery (LIB) electrode represents a complex porous composite, consisting of multiple phases including active material (AM), conductive additive, and polymeric binder. This study proposes a mesoscale model to probe the effects of the cathode composition, e.g., the ratio of active material, conductive additive, and binder content, on the electrochemical properties and performance. The results reveal a complex nonmonotonic behavior in the effective electrical conductivity as the amount of conductive additive is increased. Insufficient electronic conductivity of the electrode limits the cell operation to lower currents. Once sufficient electron conduction (i.e., percolation) is achieved, the rate performance can bemore » a strong function of ion-blockage effect and pore phase transport resistance. In conclusion, even for the same porosity, different arrangements of the solid phases may lead to notable difference in the cell performance, which highlights the need for accurate microstructural characterization and composite electrode preparation strategies.« less

Alkali-silica reactivity of expanded glass granules in structure of lightweight concrete

NASA Astrophysics Data System (ADS)

Bumanis, G.; Bajare, D.; Locs, J.; Korjakins, A.

2013-12-01

Main component in the lightweight concrete, which provides its properties, is aggregate. A lot of investigations on alkali silica reaction (ASR) between cement and lightweight aggregates have been done with their results published in the academic literature. Whereas expanded glass granules, which is relatively new product in the market of building materials, has not been a frequent research object. Therefore lightweight granules made from waste glass and eight types of cement with different chemical and mineralogical composition were examined in this research. Expanded glass granules used in this research is commercially available material produced by Penostek. Lightweight concrete mixtures were prepared by using commercial chemical additives to improve workability of concrete. The aim of the study is to identify effect of cement composition to the ASR reaction which occurs between expanded glass granules and binder. Expanded glass granules mechanical and physical properties were determined. In addition, properties of fresh and hardened concrete were determined. The ASR test was processed according to RILEM AAR-2 testing recommendation. Tests with scanning electron microscope and microstructural investigations were performed for expanded glass granules and hardened concrete specimens before and after exposing them in alkali solution.

An empirical model to estimate density of sodium hydroxide solution: An activator of geopolymer concretes

NASA Astrophysics Data System (ADS)

Rajamane, N. P.; Nataraja, M. C.; Jeyalakshmi, R.; Nithiyanantham, S.

2016-02-01

Geopolymer concrete is zero-Portland cement concrete containing alumino-silicate based inorganic polymer as binder. The polymer is obtained by chemical activation of alumina and silica bearing materials, blast furnace slag by highly alkaline solutions such as hydroxide and silicates of alkali metals. Sodium hydroxide solutions of different concentrations are commonly used in making GPC mixes. Often, it is seen that sodium hydroxide solution of very high concentration is diluted with water to obtain SHS of desired concentration. While doing so it was observed that the solute particles of NaOH in SHS tend to occupy lower volumes as the degree of dilution increases. This aspect is discussed in this paper. The observed phenomenon needs to be understood while formulating the GPC mixes since this influences considerably the relationship between concentration and density of SHS. This paper suggests an empirical formula to relate density of SHS directly to concentration expressed by w/w.

Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance.

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

Moy, Franklin J.; Lee, Arthur; Gavrin, Lori Krim

2010-07-23

To aid in the pursuit of selective kinase inhibitors, we have developed a unique ATP site binder tool for the detection of binders outside the ATP site by nuclear magnetic resonance (NMR). We report here the novel synthesis that led to this paramagnetic spin-labeled pyrazolopyrimidine probe (1), which exhibits nanomolar inhibitory activity against multiple kinases. We demonstrate the application of this probe by performing NMR binding experiments with Lck and Src kinases and utilize it to detect the binding of two compounds proximal to the ATP site. The complex structure of the probe with Lck is also presented, revealing howmore » the probe fits in the ATP site and the specific interactions it has with the protein. We believe that this spin-labeled probe is a valuable tool that holds broad applicability in a screen for non-ATP site binders.« less

Cation and anion dependence of stable geometries and stabilization energies of alkali metal cation complexes with FSA(-), FTA(-), and TFSA(-) anions: relationship with physicochemical properties of molten salts.

PubMed

Tsuzuki, Seiji; Kubota, Keigo; Matsumoto, Hajime

2013-12-19

Stable geometries and stabilization energies (Eform) of the alkali metal complexes with bis(fluorosulfonyl)amide, (fluorosulfonyl)(trifluoromethylslufonyl)amide and bis(trifluoromethylsulfonyl)amide (FSA(-), FTA(-) and TFSA(-)) were studied by ab initio molecular orbital calculations. The FSA(-) complexes prefer the bidentate structures in which two oxygen atoms of two SO2 groups have contact with the metal cation. The FTA(-) and TFSA(-) complexes with Li(+) and Na(+) prefer the bidentate structures, while the FTA(-) and TFSA(-) complexes with Cs(+) prefer tridentate structures in which the metal cation has contact with two oxygen atoms of an SO2 group and one oxygen atom of another SO2 group. The two structures are nearly isoenergetic in the FTA(-) and TFSA(-) complexes with K(+) and Rb(+). The magnitude of Eform depends on the alkali metal cation significantly. The Eform calculated for the most stable TFSA(-) complexes with Li(+), Na(+), K(+), Rb(+) and Cs(+) cations at the MP2/6-311G** level are -137.2, -110.5, -101.1, -89.6, and -84.1 kcal/mol, respectively. The viscosity and ionic conductivity of the alkali TFSA molten salts have strong correlation with the magnitude of the attraction. The viscosity increases and the ionic conductivity decreases with the increase of the attraction. The melting points of the alkali TFSA and alkali BETA molten salts also have correlation with the magnitude of the Eform, which strongly suggests that the magnitude of the attraction play important roles in determining the melting points of these molten salts. The anion dependence of the Eform calculated for the complexes is small (less than 2.9 kcal/mol). This shows that the magnitude of the attraction is not the cause of the low melting points of alkali FTA molten salts compared with those of corresponding alkali TFSA molten salts. The electrostatic interactions are the major source of the attraction in the complexes. The electrostatic energies for the most stable TFSA(-) complexes with the five alkali metal cations are -140.3, -119.4, -104.1, -96.9, and -91.1 kcal/mol, respectively. The induction interactions also contribute to the attraction. In particular, the induction interactions are large in the Li(+) complexes. The induction energies for the five complexes are -46.6, -25.2, -17.5, -13.3, and -10.4 kcal/mol, respectively.

Ambient Cured Alkali Activated Flyash Masonry Units

NASA Astrophysics Data System (ADS)

Venugopal, K.; Radhakrishna; Sasalatti, Vinod M.

2016-09-01

Geopolymers belong to a category of non-conventional and non-Portland cement based cementitious binders which are produced using industrial by products like fly ash and ground granulated blast furnace slag (GGBFS). This paper reports on the development of geopolymer mortars for production of masonry units. The geopolymer mortars were prepared by mixing various by products with manufactured sand and a liquid mixture of sodium silicate and sodium hydroxide solutions. After curing at ambient conditions, the masonry units were tested for strength properties such as water absorption, initial rate of absorption, compression, shear- bond, and stress-strain behaviour etc. It was observed that the flexural strength of the blocks is more than 2 MPa and shear bond strength is more than 0.4MPa. It was found that the properties of geopolymer blocks were superior to the traditional masonry units. Hence they can be recommended for structural masonry.

Characterizing and modeling organic binder burnout from green ceramic compacts

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

Ewsuk, K.G.; Cesarano, J. III; Cochran, R.J.

New characterization and computational techniques have been developed to evaluate and simulate binder burnout from pressed powder compacts. Using engineering data and a control volume finite element method (CVFEM) thermal model, a nominally one dimensional (1-D) furnace has been designed to test, refine, and validate computer models that simulate binder burnout assuming a 1-D thermal gradient across the ceramic body during heating. Experimentally, 1-D radial heat flow was achieved using a rod-shaped heater that directly heats the inside surface of a stack of ceramic annuli surrounded by thermal insulation. The computational modeling effort focused on producing a macroscopic model formore » binder burnout based on continuum approaches to heat and mass conservation for porous media. Two increasingly complex models have been developed that predict the temperature and mass of a porous powder compact as a function of time during binder burnout. The more complex model also predicts the pressure within a powder compact during binder burnout. Model predictions are in reasonably good agreement with experimental data on binder burnout from a 57--65% relative density pressed powder compact of a 94 wt% alumina body containing {approximately}3 wt% binder. In conjunction with the detailed experimental data from the prototype binder burnout furnace, the models have also proven useful for conducting parametric studies to elucidate critical i-material property data required to support model development.« less

Alkaline battery, separator therefore

NASA Technical Reports Server (NTRS)

Schmidt, George F. (Inventor)

1980-01-01

An improved battery separator for alkaline battery cells has low resistance to electrolyte ion transfer and high resistance to electrode ion transfer. The separator is formed by applying an improved coating to an electrolyte absorber. The absorber, preferably, is a flexible, fibrous, and porous substrate that is resistant to strong alkali and oxidation. The coating composition includes an admixture of a polymeric binder, a hydrolyzable polymeric ester and inert fillers. The coating composition is substantially free of reactive fillers and plasticizers commonly employed as porosity promoting agents in separator coatings. When the separator is immersed in electrolyte, the polymeric ester of the film coating reacts with the electrolyte forming a salt and an alcohol. The alcohol goes into solution with the electrolyte while the salt imbibes electrolyte into the coating composition. When the salt is formed, it expands the polymeric chains of the binder to provide a film coating substantially permeable to electrolyte ion transfer but relatively impermeable to electrode ion transfer during use.

Complex Physiology and Compound Stress Responses during Fermentation of Alkali-Pretreated Corn Stover Hydrolysate by an Escherichia coli Ethanologen

PubMed Central

Schwalbach, Michael S.; Tremaine, Mary; Marner, Wesley D.; Zhang, Yaoping; Bothfeld, William; Higbee, Alan; Grass, Jeffrey A.; Cotten, Cameron; Reed, Jennifer L.; da Costa Sousa, Leonardo; Jin, Mingjie; Balan, Venkatesh; Ellinger, James; Dale, Bruce; Kiley, Patricia J.

2012-01-01

The physiology of ethanologenic Escherichia coli grown anaerobically in alkali-pretreated plant hydrolysates is complex and not well studied. To gain insight into how E. coli responds to such hydrolysates, we studied an E. coli K-12 ethanologen fermenting a hydrolysate prepared from corn stover pretreated by ammonia fiber expansion. Despite the high sugar content (∼6% glucose, 3% xylose) and relatively low toxicity of this hydrolysate, E. coli ceased growth long before glucose was depleted. Nevertheless, the cells remained metabolically active and continued conversion of glucose to ethanol until all glucose was consumed. Gene expression profiling revealed complex and changing patterns of metabolic physiology and cellular stress responses during an exponential growth phase, a transition phase, and the glycolytically active stationary phase. During the exponential and transition phases, high cell maintenance and stress response costs were mitigated, in part, by free amino acids available in the hydrolysate. However, after the majority of amino acids were depleted, the cells entered stationary phase, and ATP derived from glucose fermentation was consumed entirely by the demands of cell maintenance in the hydrolysate. Comparative gene expression profiling and metabolic modeling of the ethanologen suggested that the high energetic cost of mitigating osmotic, lignotoxin, and ethanol stress collectively limits growth, sugar utilization rates, and ethanol yields in alkali-pretreated lignocellulosic hydrolysates. PMID:22389370

The role of halide ions on the electrochemical behaviour of iron in alkali solutions

NASA Astrophysics Data System (ADS)

Begum, S. Nathira; Muralidharan, V. S.; Basha, C. Ahmed

2008-02-01

Active dissolution and passivation of transition metals in alkali solutions is of technological importance in batteries. The performance of alkaline batteries is decided by the presence of halides as they influence passivation. Cyclic voltammetric studies were carried out on iron in different sodium hydroxide solutions in presence of halides. In alkali solutions iron formed hydroxo complexes and their polymers in the interfacial diffusion layer. With progress of time they formed a cation selective layer. The diffusion layer turned into bipolar ion selective layer consisted of halides, a selective inner sublayer to the metal side and cation selective outer layer to the solution side. At very high anodic potentials, dehydration and deprotonation led to the conversion of salt layer into an oxide.

Selective fishing and analysis of xanthine oxidase binders from two Fabaceae species by coupling enzyme functionalized core-shell magnetic nanoparticles with HPLC-MS.

PubMed

Liu, Liangliang; Shi, Shuyun; Zhao, Huading; Yu, Jingang; Jiang, Xinyu; Chen, Xiaoqing

2014-01-15

Xanthine oxidase (XOD) immobilized core-shell magnetic silica (Fe3O4@SiO2-XOD) nanoparticles coupled with high performance liquid chromatography-mass spectrometry (HPLC-MS) was developed to fish out and analyze XOD binders from two Fabaceae species, Puerariae lobata flower and Glycyrrhiza uralensis root. The prepared Fe3O4@SiO2-XOD nanoparticles exhibited good specificity for XOD binders, better dispersion in aqueous solution and reusability than those of Fe3O4-XOD nanoparticles. The amount of XOD immobilized onto Fe3O4@SiO2 nanoparticles was 339.9μg/mg and the activity of Fe3O4@SiO2-XOD nanoparticles remained 95% after ten times usage. The optimum conditions of selective fishing were optimized, and finally incubating pH was set at 7, incubating temperature at 25°C and adsorption time at 30min. Twelve XOD binders were successfully identified from ethyl acetate extract of P. lobata flower and G. uralensis root. The developed method provides a rapid, purposeful and effective way to identify active compounds from natural complex mixtures. Copyright © 2013 Elsevier B.V. All rights reserved.

Nanoscale Charge Balancing Mechanism in Calcium-Silicate-Hydrate Gels: Novel Complex Disordered Materials from First-principles

NASA Astrophysics Data System (ADS)

Ozcelik, Ongun; White, Claire

Alkali-activated materials which have augmented chemical compositions as compared to ordinary Portland cement are sustainable technologies that have the potential to lower CO2 emissions associated with the construction industry. In particular, calcium-silicate-hydrate (C-S-H) gel is altered at the atomic scale due to changes in its chemical composition. Here, based on first-principles calculations, we predict a charge balancing mechanism at the molecular level in C-S-H gels when alkali atoms are introduced into their structure. This charge balancing process is responsible for the formation of novel structures which possess superior mechanical properties compared to their charge unbalanced counterparts. Different structural representations are obtained depending on the level of substitution and the degree of charge balancing incorporated in the structures. The impact of these charge balancing effects on the structures is assessed by analyzing their formation energies, local bonding environments, diffusion barriers and mechanical properties. These results provide information on the phase stability of alkali/aluminum containing C-S-H gels, shedding light on the fundamental mechanisms that play a crucial role in these complex disordered materials. We acknowledge funding from the Princeton Center for Complex Materials, a MRSEC supported by NSF.

Solvation Effect on Complexation of Alkali Metal Cations by a Calix[4]arene Ketone Derivative.

PubMed

Požar, Josip; Nikšić-Franjić, Ivana; Cvetnić, Marija; Leko, Katarina; Cindro, Nikola; Pičuljan, Katarina; Borilović, Ivana; Frkanec, Leo; Tomišić, Vladislav

2017-09-14

The medium effect on the complexation of alkali metal cations with a calix[4]arene ketone derivative (L) was systematically examined in methanol, ethanol, N-methylformamide, N,N-dimethylformamide, dimethyl sulfoxide, and acetonitrile. In all solvents the binding of Na + cation by L was rather efficient, whereas the complexation of other alkali metal cations was observed only in methanol and acetonitrile. Complexation reactions were enthalpically controlled, while ligand dissolution was endothermic in all cases. A notable influence of the solvent on NaL + complex stability could be mainly attributed to the differences in complexation entropies. The higher NaL + stability in comparison to complexes with other alkali metal cations in acetonitrile was predominantly due to a more favorable complexation enthalpy. The 1 H NMR investigations revealed a relatively low affinity of the calixarene sodium complex for inclusion of the solvent molecule in the calixarene hydrophobic cavity, with the exception of acetonitrile. Differences in complex stabilities in the explored solvents, apart from N,N-dimethylformamide and acetonitrile, could be mostly explained by taking into account solely the cation and complex solvation. A considerable solvent effect on the complexation equilibria was proven to be due to an interesting interplay between the transfer enthalpies and entropies of the reactants and the complexes formed.

High capacity Li-ion battery anodes: Impact of crystallite size, surface chemistry and PEG-coating

DOE PAGES

Minnici, Krysten; Kwon, Yo Han; Huie, Matthew M.; ...

2017-12-06

Battery electrodes are complex mesoscale systems comprised of an active material, conductive agent, current collector, and polymeric binder. Previous work showed that introduction of poly [3-(potassium-4-butanoate) thiophene] (PPBT) as a binder component coupled with a polyethylene glycol (PEG) surface coating on magnetite (Fe 3O 4) nanoparticles enhanced electron and ion transport in the high capacity anode system. Here, the impact of Fe 3O 4 crystallite size (10 nm vs. 20 nm) and surface chemistry were explored to evaluate their effects on interfacial interactions within the composite PEG/PPBT based electrodes and resultant battery performance. The Fe 3O 4 synthesis methods inevitablymore » lead to differences in surface chemistry. For instance, the Fe 3O 4 particles synthesized using ammonium hydroxide appeared more dispersed, and afforded improved rate capability performance. Notably, chemical interactions between the active nanoparticles and PPBT binder were only seen with particles synthesized using triethylamine. Capacity retention and cycling performance were unaffected. Thus, this study provides fundamental insights into the significant impact of active material synthesis on the design and fabrication of composite battery electrodes.« less

High capacity Li-ion battery anodes: Impact of crystallite size, surface chemistry and PEG-coating

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

Minnici, Krysten; Kwon, Yo Han; Huie, Matthew M.

Battery electrodes are complex mesoscale systems comprised of an active material, conductive agent, current collector, and polymeric binder. Previous work showed that introduction of poly [3-(potassium-4-butanoate) thiophene] (PPBT) as a binder component coupled with a polyethylene glycol (PEG) surface coating on magnetite (Fe 3O 4) nanoparticles enhanced electron and ion transport in the high capacity anode system. Here, the impact of Fe 3O 4 crystallite size (10 nm vs. 20 nm) and surface chemistry were explored to evaluate their effects on interfacial interactions within the composite PEG/PPBT based electrodes and resultant battery performance. The Fe 3O 4 synthesis methods inevitablymore » lead to differences in surface chemistry. For instance, the Fe 3O 4 particles synthesized using ammonium hydroxide appeared more dispersed, and afforded improved rate capability performance. Notably, chemical interactions between the active nanoparticles and PPBT binder were only seen with particles synthesized using triethylamine. Capacity retention and cycling performance were unaffected. Thus, this study provides fundamental insights into the significant impact of active material synthesis on the design and fabrication of composite battery electrodes.« less

Phosphate binder usage in kidney failure patients.

PubMed

Bleyer, Anthony J

2003-06-01

Phosphorus binders are used in patients with kidney failure because of the incomplete removal of phosphorus with dialysis and the inability to exclude phosphorus from the diet. Aluminium was the initial phosphorus binder used, but was replaced by calcium-containing binders because of the development of aluminium toxicity. Calcium-based binders have been the mainstay of therapy for many years, but recent investigations have pointed to increased rates of vascular calcification in patients taking calcium-containing binders. For this reason, alternative agents have been developed. Sevelamer (Renagel), GelTex Pharmaceuticals Inc.) is a polymer which has been found to effectively bind phosphorus. It has resulted in a decreased rate of vascular calcification compared to calcium-containing binders. Other agents under development include lanthanum carbonate and iron-complex preparations. Further research will likely concentrate on identifying binders that bind phosphate more efficiently, have minimal gastrointestinal side effects and provide other benefits to dialysis patients.

Time dependent viscoelastic rheological response of pure, modified and synthetic bituminous binders

NASA Astrophysics Data System (ADS)

Airey, G. D.; Grenfell, J. R. A.; Apeagyei, A.; Subhy, A.; Lo Presti, D.

2016-08-01

Bitumen is a viscoelastic material that exhibits both elastic and viscous components of response and displays both a temperature and time dependent relationship between applied stresses and resultant strains. In addition, as bitumen is responsible for the viscoelastic behaviour of all bituminous materials, it plays a dominant role in defining many of the aspects of asphalt road performance, such as strength and stiffness, permanent deformation and cracking. Although conventional bituminous materials perform satisfactorily in most highway pavement applications, there are situations that require the modification of the binder to enhance the properties of existing asphalt material. The best known form of modification is by means of polymer modification, traditionally used to improve the temperature and time susceptibility of bitumen. Tyre rubber modification is another form using recycled crumb tyre rubber to alter the properties of conventional bitumen. In addition, alternative binders (synthetic polymeric binders as well as renewable, environmental-friendly bio-binders) have entered the bitumen market over the last few years due to concerns over the continued availability of bitumen from current crudes and refinery processes. This paper provides a detailed rheological assessment, under both temperature and time regimes, of a range of conventional, modified and alternative binders in terms of the materials dynamic (oscillatory) viscoelastic response. The rheological results show the improved viscoelastic properties of polymer- and rubber-modified binders in terms of increased complex shear modulus and elastic response, particularly at high temperatures and low frequencies. The synthetic binders were found to demonstrate complex rheological behaviour relative to that seen for conventional bituminous binders.

Mechanism and preparation of liquid alkali-free liquid setting accelerator for shotcrete

NASA Astrophysics Data System (ADS)

Qiu, Ying; Ding, Bei; Gan, Jiezhong; Guo, Zhaolai; Zheng, Chunyang; Jiang, Haidong

2017-03-01

A new alkali-free liquid accelerator for shotcrete was prepared through normal temperature drop process by using the nano activated alumina and the modified alcohol amine as the main raw materials. The effect of alkali-free liquid accelerator on the cement setting time and the mechanical properties of mortar, the effect of the penetration strength on the shotcrete rebound were investigated. And the accelerating mechanism of the as-prepared alkali-free liquid accelerator was also analyzed via XRD and SEM characterization methods. The experimental results indicated that the hydration of C3A was accelerated by the polyamine complexation of accelerator, resulting in forming a large number of acicular ettringite and reducing the amount of Ca(OH)2 crystal, which would not affect the later hydration of cement. When the content of alkali-free liquid accelerator was 6%, the initial setting time and final setting time were less than 3min and 8min respectively, and 1d and 28d compressive strength ratios reached 207.6% and 114.2% respectively; beside that, the shotcrete rebound was very low because of the high penetration strength within 30min.

Self-healing composites and applications thereof

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

Tee, Chee Keong; Wang, Chao; Cui, Yi

A battery electrode includes an electrochemically active material and a binder covering the electrochemically active material. The binder includes a self-healing polymer and conductive additives dispersed in the self-healing polymer to provide an electrical pathway across at least a portion of the binder.

Preparation of Fiber Based Binder Materials to Enhance the Gas Adsorption Efficiency of Carbon Air Filter.

PubMed

Lim, Tae Hwan; Choi, Jeong Rak; Lim, Dae Young; Lee, So Hee; Yeo, Sang Young

2015-10-01

Fiber binder adapted carbon air filter is prepared to increase gas adsorption efficiency and environmental stability. The filter prevents harmful gases, as well as particle dusts in the air from entering the body when a human inhales. The basic structure of carbon air filter is composed of spunbond/meltblown/activated carbon/bottom substrate. Activated carbons and meltblown layer are adapted to increase gas adsorption and dust filtration efficiency, respectively. Liquid type adhesive is used in the conventional carbon air filter as a binder material between activated carbons and other layers. However, it is thought that the liquid binder is not an ideal material with respect to its bonding strength and liquid flow behavior that reduce gas adsorption efficiency. To overcome these disadvantages, fiber type binder is introduced in our study. It is confirmed that fiber type binder adapted air filter media show higher strip strength, and their gas adsorption efficiencies are measured over 42% during 60 sec. These values are higher than those of conventional filter. Although the differential pressure of fiber binder adapted air filter is relatively high compared to the conventional one, short fibers have a good potential as a binder materials of activated carbon based air filter.

Reshaping and linking of molecules in ion-pair traps

NASA Astrophysics Data System (ADS)

Cochrane, Bryce; Naumkin, Fedor Y.

2016-01-01

A series of insertion complexes of small molecules trapped between alkali-halide counter-ions are investigated ab initio. The molecular shape is altered inside the complexes and varies in corresponding anions. Stabilities and charge distributions are investigated. Strong charge-transfer in the alkali-halide component effectively through the almost neutral molecule results in very large dipole moments. The most stable species is used to construct a dimer significantly bound via dipole-dipole interaction. Another complex with two alkali-halide diatoms trapping the molecule represents a unit of corresponding longer oligomer. This completes the array of systems with the molecule effectively in ion-pair, ion-dipole, dipole-pair electric fields.

COMPLEX FLUORIDES OF PLUTONIUM AND AN ALKALI METAL

DOEpatents

Seaborg, G.T.

1960-08-01

A method is given for precipitating alkali metal plutonium fluorides. such as KPuF/sub 5/, KPu/sub 2/F/sub 9/, NaPuF/sub 5/, and RbPuF/sub 5/, from an aqueous plutonium(IV) solution by adding hydrogen fluoride and alkali-metal- fluoride.

Classification and virtual screening of androgen receptor antagonists.

PubMed

Li, Jiazhong; Gramatica, Paola

2010-05-24

Computational tools, such as quantitative structure-activity relationship (QSAR), are highly useful as screening support for prioritization of substances of very high concern (SVHC). From the practical point of view, QSAR models should be effective to pick out more active rather than inactive compounds, expressed as sensitivity in classification works. This research investigates the classification of a big data set of endocrine-disrupting chemicals (EDCs)-androgen receptor (AR) antagonists, mainly aiming to improve the external sensitivity and to screen for potential AR binders. The kNN, lazy IB1, and ADTree methods and the consensus approach were used to build different models, which improve the sensitivity on external chemicals from 57.1% (literature) to 76.4%. Additionally, the models' predictive abilities were further validated on a blind collected data set (sensitivity: 85.7%). Then the proposed classifiers were used: (i) to distinguish a set of AR binders into antagonists and agonists; (ii) to screen a combined estrogen receptor binder database to find out possible chemicals that can bind to both AR and ER; and (iii) to virtually screen our in-house environmental chemical database. The in silico screening results suggest: (i) that some compounds can affect the normal endocrine system through a complex mechanism binding both to ER and AR; (ii) new EDCs, which are nonER binders, but can in silico bind to AR, are recognized; and (iii) about 20% of compounds in a big data set of environmental chemicals are predicted as new AR antagonists. The priority should be given to them to experimentally test the binding activities with AR.

Low-temperature fabrication of alkali metal-organic charge transfer complexes on cotton textile for optoelectronics and gas sensing.

PubMed

Ramanathan, Rajesh; Walia, Sumeet; Kandjani, Ahmad Esmaielzadeh; Balendran, Sivacarendran; Mohammadtaheri, Mahsa; Bhargava, Suresh Kumar; Kalantar-zadeh, Kourosh; Bansal, Vipul

2015-02-03

A generalized low-temperature approach for fabricating high aspect ratio nanorod arrays of alkali metal-TCNQ (7,7,8,8-tetracyanoquinodimethane) charge transfer complexes at 140 °C is demonstrated. This facile approach overcomes the current limitation associated with fabrication of alkali metal-TCNQ complexes that are based on physical vapor deposition processes and typically require an excess of 800 °C. The compatibility of soft substrates with the proposed low-temperature route allows direct fabrication of NaTCNQ and LiTCNQ nanoarrays on individual cotton threads interwoven within the 3D matrix of textiles. The applicability of these textile-supported TCNQ-based organic charge transfer complexes toward optoelectronics and gas sensing applications is established.

Theoretical study of mixed MLaX(4) (M = Na, K, Cs; X = F, Cl, Br, I) rare earth/alkali metal halide complexes.

PubMed

Groen, Cornelis Petrus; Oskam, Ad; Kovács, Attila

2003-02-10

The structure, bonding, and vibrational properties of the mixed MLaX(4) (M = Na, K, Cs; X = F, Cl, Br, I) rare earth/alkali metal halide complexes have been studied using the MP2 method in conjunction with polarized triple-zeta valence basis sets and quasi-relativistic effective core potentials for the heavy atoms. From the three characteristic structures, possessing 1- (C(3)(v)), 2- (C(2)(v)), or 3-fold coordination (C(3)(v)) between the alkali metal and the bridging halide atoms, the bi- and tridentate forms are stable isomers with close dissociation energies. In general, for the complexes existing of lighter alkali metals and halogens, the bidentate structure corresponds to the global minimum of the potential energy surface, while the heavier analogues favor the tridentate structure. At experimentally relevant temperatures (T > 800 K), however, the isomerization entropy leads to a domination of the bidentate structures over the tridentate forms for all complexes. An important effect of the size of the alkali metal is manifested in the larger stabilities of the K and Cs complexes. The natural atomic charges are in agreement with strong electrostatic interactions in the title complexes. The marginal covalent contributions show a slight increasing trend in the heavier analogues. The calculated vibrational data indicate that infrared spectroscopy may be an effective tool for experimental investigation and characterization of MLaX(4) molecules.

Redox-Active Supramolecular Polymer Binders for Lithium–Sulfur Batteries That Adapt Their Transport Properties in Operando

DOE PAGES

Frischmann, Peter D.; Hwa, Yoon; Cairns, Elton J.; ...

2016-10-25

π-Stacked perylene bisimide (PBI) molecules are implemented here as highly networked, redox-active supramolecular polymer binders in sulfur cathodes for lightweight and energy-dense Li-S batteries. We show that the in operando reduction and lithiation of these PBI binders sustainably reduces Li-S cell impedance relative to nonredox active conventional polymer binders. This lower impedance enables high-rate cycling in Li-S cells with excellent durability, a critical step toward unlocking the full potential of Li-S batteries for electric vehicles and aviation.

Correction: A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

PubMed

Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

2016-12-22

Correction for 'A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide' by Chee Koon Ng et al., Chem. Commun., 2016, 52, 11842-11845.

Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

NASA Astrophysics Data System (ADS)

Mrugalla, Florian; Kast, Stefan M.

2016-09-01

Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory.

PubMed

Mrugalla, Florian; Kast, Stefan M

2016-09-01

Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

Study on viscosity of conventional and polymer modified asphalt binders in steady and dynamic shear domain

NASA Astrophysics Data System (ADS)

Saboo, Nikhil; Singh, Bhupendra; Kumar, Praveen; Vikram, Durgesh

2018-02-01

This study focuses on evaluating the flow behavior of conventional and polymer modified asphalt binders in steady- and dynamic-shear domain, for a temperature range of 20-70 °C, using a Dynamic Shear Rheometer (DSR). Steady-shear viscosity and frequency sweep tests were carried out on two conventional (VG 10 and VG 30) and two polymer (SBS and EVA) modified asphalt binders. Applicability of the Cox-Merz principle was evaluated and complex viscosity master curves were analyzed at five different reference temperatures. Cross model was used to simulate the complex viscosity master curves at different temperatures. It was found that asphalt binders exhibited shear-thinning behavior at all the test temperatures. The critical shear rate increased with increase in temperature and was found to be lowest for plastomeric modified asphalt binder. The Cox-Merz principle was found to be valid in the zero-shear viscosity (ZSV) domain and deviated at higher frequency/shear rate for all the binders. Results from the study indicated that the ratio of ZSV can be successfully used as shift factors for construction of master curves at different reference temperatures. Cross model was found to be suitable in simulating the complex viscosity master curves at all the test temperatures. Analysis of model parameters indicated that a strong relationship exists between ZSV and the critical shear rate. ZSV and critical shear rate varied exponentially with temperature. This relationship was used to propose a simple equation for assessing the shift factors for construction of master curves.

Carbonatite magmatism in northeast India

NASA Astrophysics Data System (ADS)

Kumar, D.; Mamallan, R.; Dwivedy, K. K.

The Shillong Plateau of northeast India is identified as an alkaline province in view of the development of several carbonatite complexes e.g. the Sung Valley (Jaintia Hills), Jasra (Karbi-Anglong), Samchampi and Barpung (Mikir Hills) and lamprophyre dyke swarms (Swangkre, Garo-Khasi Hills). On the basis of limited KAr data, magmatic activity appears to have taken place over a protracted period, ranging from the Late Jurassic to the Early Cretaceous. The carbonatite complexes of the Shillong Plateau share several common traits: they are emplaced along rift zones, either within Archaean gneisses or Proterozoic metasediments and granites, and exhibit enrichment in the light rare-earth elements, U, Th, Nb, Zr, Ti, K and Na. The enrichment in incompatible trace elements can best be accounted for if the parental magmas were of alkali basaltic type (e.g. mela-nephelinite or carbonate-rich alkali picrite).

PROCESS OF RECOVERING ALKALI METALS

DOEpatents

Wolkoff, J.

1961-08-15

A process is described of recovering alkali metal vapor by sorption on activated alumina, activated carbon, dehydrated zeolite, activated magnesia, or Fuller's earth preheated above the vaporization temperature of the alkali metal and subsequent desorption by heating the solvent under vacuum. (AEC)

Efficiency of Composite Binders with Antifreezing Agents

NASA Astrophysics Data System (ADS)

Ogurtsova, Y. N.; Zhernovsky, I. V.; Botsman, L. N.

2017-11-01

One of the non-heating methods of cold-weather concreting is using concretes hardening at negative temperatures. This method consists in using chemical additives which reduce the freezing temperature of the liquid phase and provide for concrete hardening at negative temperatures. The non-heating cold-weather concreting, due to antifreezing agents, allows saving heat and electric energy at the more flexible work performance technology. At selecting the antifreezing components, the possibility of concreting at temperatures up to minus 20 °C and combination with a plasticizer contained in the composite binder were taken into account. The optimal proportions of antifreezing and complex agents produced by MC-Bauchemie Russia for fine-grained concretes were determined. So, the introduction of antifreezing and complex agents allows obtaining a structure of composite characteristic for cement stone in the conditions of below zero temperatures at using different binders; the hydration of such composite proceeded naturally. Low-water-demand binders (LWDB) based composites are characterized by a higher density and homogeneity due to a high dispersity of a binder and its complicated surface providing for a lot of crystallization centers. LWDB contains small pores keeping water in a liquid form and promoting a more complete hydration process.

Co-clustering of Fcgamma and B cell receptors induces dephosphorylation of the Grb2-associated binder 1 docking protein.

PubMed

Koncz, G; Tóth, G K; Bökönyi, G; Kéri, G; Pecht, I; Medgyesi, D; Gergely, J; Sármay, G

2001-07-01

The immunoreceptor tyrosine-based inhibitory motif (ITIM) of human type IIb Fcgamma receptor (FcgammaRIIb) is phosphorylated on its tyrosine upon co-clustering with the B cell receptor (BCR). The phosphorylated ITIM (p-ITIM) binds to the SH2 domains of polyphosphoinositol 5-phosphatase (SHIP) and the tyrosine phosphatase, SHP-2. We investigated the involvement of the molecular complex composed of the phosphorylated SHIP and FcgammaRIIb in the activation of SHP-2. As a model compound, we synthesized a bisphosphopeptide, combining the sequences of p-ITIM and the N-terminal tyrosine phosphorylated motif of SHIP with a flexible spacer. This compound bound to the recombinant SH2 domains of SHP-2 with high affinity and activated the phosphatase in an in vitro assay. These data suggest that the phosphorylated FcgammaRII-SHIP complexes formed in the intact cells may also activate SHP-2. Grb2-associated binder 1 (Gab1) is a multisite docking protein, which becomes tyrosine-phosphorylated in response to various types of signaling, including BCR. In turn it binds to the SH2 domains of SHP-2, SHIP and the p85 subunit of phosphatidyl inositol 3-kinase (PtdIns3-K) and may regulate their activity. Gab1 is a potential substrate of SHP-2, thus its binding to FcgammaRIIb may modify the Gab1-bound signaling complex. We show here that Gab1 is part of the multiprotein complex assembled by FcgammaRIIb upon its co-clustering with BCR. Gab1 may recruit SH2 domain-containing molecules to the phosphorylated FcgammaRIIb. SHP-2, activated upon the binding to FcgammaRIIb-SHIP complex, partially dephosphorylates Gab1, resulting in the release of PtdIns3-K and ultimately in the inhibition of downstream activation pathways in BCR/FcgammaRIIb co-aggregated cells.

Hydration heat of alkali activated fine-grained ceramic

NASA Astrophysics Data System (ADS)

Jerman, Miloš; Černý, Robert

2017-07-01

Early-age hydration heat of alkali activated ceramic dust is studied as a function of silicate modulus. A mixture of sodium hydroxide and water glass is used as alkali activator. The measurements are carried out using a large-volume isothermal heat flow calorimeter which is capable of detecting even very small values of specific heat power. Experimental results show that the specific hydration heat power of alkali activated fine-ground ceramic is very low and increases with the decreasing silicate modulus of the mix.

Two Iron Complexes as Homogeneous and Heterogeneous Catalysts for the Chemical Fixation of Carbon Dioxide.

PubMed

Karan, Chandan Kumar; Bhattacharjee, Manish

2018-04-16

Two new bimetallic iron-alkali metal complexes of amino acid (serine)-based reduced Schiff base ligand were synthesized and structurally characterized. Their efficacy as catalysts for the chemical fixation of carbon dioxide was explored. The heterogeneous version of the catalytic reaction was developed by the immobilization of these homogeneous bimetallic iron-alkali metal complexes in an anion-exchange resin. The resin-bound complexes can be used as recyclable catalysts up to six cycles.

Petrography and physicomechanical properties of rocks from the Ambela granitic complex, NW Pakistan.

PubMed

Arif, Mohammad; Bukhari, S Wajid Hanif; Muhammad, Noor; Sajid, Muhammad

2013-01-01

Petrography and physicomechanical properties of alkali granites, alkali quartz syenite, and nepheline syenite from Ambela, NW Pakistan, have been investigated. Whereas the alkali quartz syenite and most of the alkali granites are megaporphyritic, the nepheline syenite and some of the alkali granites are microporphyritic. Their phenocryst shape and size and abundance of groundmass are also different. The values of unconfined compressive strength (UCS) are the lowest and highest for megaporphyritic alkali granite and alkali quartz syenite, respectively. However, all the four rock types are moderately strong. Correspondingly, their specific gravity and water absorption values are within the permissible range for use as construction material. The UCS for the alkali quartz syenite is the highest, most probably because (i) it has roughly equal amounts of phenocryst and groundmass, (ii) it displays maximum size contrast between phenocryst and groundmass, (iii) its phenocrysts are highly irregular, and (iv) it contains substantial amounts of quartz.

Petrography and Physicomechanical Properties of Rocks from the Ambela Granitic Complex, NW Pakistan

PubMed Central

Arif, Mohammad; Bukhari, S. Wajid Hanif; Muhammad, Noor; Sajid, Muhammad

2013-01-01

Petrography and physicomechanical properties of alkali granites, alkali quartz syenite, and nepheline syenite from Ambela, NW Pakistan, have been investigated. Whereas the alkali quartz syenite and most of the alkali granites are megaporphyritic, the nepheline syenite and some of the alkali granites are microporphyritic. Their phenocryst shape and size and abundance of groundmass are also different. The values of unconfined compressive strength (UCS) are the lowest and highest for megaporphyritic alkali granite and alkali quartz syenite, respectively. However, all the four rock types are moderately strong. Correspondingly, their specific gravity and water absorption values are within the permissible range for use as construction material. The UCS for the alkali quartz syenite is the highest, most probably because (i) it has roughly equal amounts of phenocryst and groundmass, (ii) it displays maximum size contrast between phenocryst and groundmass, (iii) its phenocrysts are highly irregular, and (iv) it contains substantial amounts of quartz. PMID:23861654

Method of making bonded or sintered permanent magnets

DOEpatents

McCallum, R.W.; Dennis, K.W.; Lograsso, B.K.; Anderson, I.E.

1993-08-31

An isotropic permanent magnet is made by mixing a thermally responsive, low viscosity binder and atomized rare earth-transition metal (e.g., iron) alloy powder having a carbon-bearing (e.g., graphite) layer thereon that facilitates wetting and bonding of the powder particles by the binder. Prior to mixing with the binder, the atomized alloy powder may be sized or classified to provide a particular particle size fraction having a grain size within a given relatively narrow range. A selected particle size fraction is mixed with the binder and the mixture is molded to a desired complex magnet shape. A molded isotropic permanent magnet is thereby formed. A sintered isotropic permanent magnet can be formed by removing the binder from the molded mixture and thereafter sintering to full density.

Method of making bonded or sintered permanent magnets

DOEpatents

McCallum, R.W.; Dennis, K.W.; Lograsso, B.K.; Anderson, I.E.

1995-11-28

An isotropic permanent magnet is made by mixing a thermally responsive, low viscosity binder and atomized rare earth-transition metal (e.g., iron) alloy powder having a carbon-bearing (e.g., graphite) layer thereon that facilitates wetting and bonding of the powder particles by the binder. Prior to mixing with the binder, the atomized alloy powder may be sized or classified to provide a particular particle size fraction having a grain size within a given relatively narrow range. A selected particle size fraction is mixed with the binder and the mixture is molded to a desired complex magnet shape. A molded isotropic permanent magnet is thereby formed. A sintered isotropic permanent magnet can be formed by removing the binder from the molded mixture and thereafter sintering to full density. 14 figs.

Method of making bonded or sintered permanent magnets

DOEpatents

McCallum, R. William; Dennis, Kevin W.; Lograsso, Barbara K.; Anderson, Iver E.

1995-11-28

An isotropic permanent magnet is made by mixing a thermally responsive, low viscosity binder and atomized rare earth-transition metal (e.g., iron) alloy powder having a carbon-bearing (e.g., graphite) layer thereon that facilitates wetting and bonding of the powder particles by the binder. Prior to mixing with the binder, the atomized alloy powder may be sized or classified to provide a particular particle size fraction having a grain size within a given relatively narrow range. A selected particle size fraction is mixed with the binder and the mixture is molded to a desired complex magnet shape. A molded isotropic permanent magnet is thereby formed. A sintered isotropic permanent magnet can be formed by removing the binder from the molded mixture and thereafter sintering to full density.

Long term mechanical properties of alkali activated slag

NASA Astrophysics Data System (ADS)

Zhu, J.; Zheng, W. Z.; Xu, Z. Z.; Leng, Y. F.; Qin, C. Z.

2018-01-01

This article reports a study on the microstructural and long-term mechanical properties of the alkali activated slag up to 180 days, and cement paste is studied as the comparison. The mechanical properties including compressive strength, flexural strength, axis tensile strength and splitting tensile strength are analyzed. The results showed that the alkali activated slag had higher compressive and tensile strength, Slag is activated by potassium silicate (K2SiO3) and sodium hydroxide (NaOH) solutions for attaining silicate modulus of 1 using 12 potassium silicate and 5.35% sodium hydroxide. The volume dosage of water is 35% and 42%. The results indicate that alkali activated slag is a kind of rapid hardening and early strength cementitious material with excellent long-term mechanical properties. Single row of holes block compressive strength, single-hole block compressive strength and standard solid brick compressive strength basically meet engineering requirements. The microstructures of alkali activated slag are studied by X-ray diffraction (XRD). The hydration products of alkali-activated slag are assured as hydrated calcium silicate and hydrated calcium aluminate.

In vitro antioxidant activity of rice protein affected by alkaline degree and gastrointestinal protease digestion.

PubMed

Liu, Ye; Wang, Zhengxuan; Li, Hui; Liang, Mingcai; Yang, Lin

2016-12-01

To elucidate whether and how alkali treatment, which is a common process for rice protein (RP) extraction, affects antioxidant activity of RP, the different degree of alkali (from 0.1% to 0.4% of NaOH) was used to extract RP (RP-1, RP-2, RP-3, RP-4). The antioxidant capacities of scavenging free radicals [2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid] diammonium salt, ABTS; 1,1-diphenyl-2-picrylhydrazyl, DPPH), chelating metals (iron, copper) and reducing power investigated in the hydrolysates of RPs (RP-1, RP-2, RP-3, RP-4) during in vitro pepsin-pancreatin digestion were effectively affected by alkali treatment. The present study demonstrated that the weakest antioxidant responses to ABTS radical-scavenging activity, DPPH radical-scavenging activity, iron chelating activity, copper chelating activity and reducing power were produced by RP-4 extracted by the highest alkali proportion (0.4% NaOH). The present study indicates that antioxidant capacity of RP could be more readily depressed by strict alkali degree and affected by gastrointestinal proteases. Results suggest that alkali extraction is a vital process to regulate the antioxidant activity of RP through modifying the compositions of amino acids, which are dependent on alkali magnitude. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Re-examining the prospects of aluminous cements based on alkali-earth and rare-earth oxides

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

Chatterjee, A.K., E-mail: anjan.k.chatterjee@gmail.co

2009-11-15

In the family of aluminous cements the potential of strontium aluminate, the strontium-barium aluminate and the barium aluminate cements have been sporadically and incoherently studied over several decades in various parts of the world and more particularly in the East European countries without much wide-spread commercial success. Attempts had also been made to extend the exploratory studies to the (Ca, Sr, Ba)O-Al{sub 2}O{sub 3}-ZrO{sub 2}-HfO{sub 2} system to synthesize super-refractory binders. In fact, the above compositions, prima facie, seem to have the potential of arriving at cementitious formulations that, apart from being super-refractory, may as well be highly resistant tomore » seawater, X-rays and gamma radiation. Looking at these potentials, quite a few experimental studies have been carried out under the guidance and supervision of the present author. The present paper is an endeavour to collate the data on some of these systems both from the published literature as well as from the author's findings. The prime motive has been to review and re-assess the prospects of manufacturing a range of new aluminous binders with superior properties.« less

Effect of microstructure on the coupled electromagnetic-thermo-mechanical response of cyclotrimethylenetrinitramine-estane energetic aggregates to infrared laser radiation

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

Brown, Judith A.; Zikry, M. A., E-mail: zikry@ncsu.edu

2015-09-28

The coupled electromagnetic (EM)-thermo-mechanical response of cyclotrimethylenetrinitramine-estane energetic aggregates under laser irradiation and high strain rate loads has been investigated for various aggregate sizes and binder volume fractions. The cyclotrimethylenetrinitramine (RDX) crystals are modeled with a dislocation density-based crystalline plasticity formulation and the estane binder is modeled with finite viscoelasticity through a nonlinear finite element approach that couples EM wave propagation with laser heat absorption, thermal conduction, and inelastic deformation. Material property and local behavior mismatch at the crystal-binder interfaces resulted in geometric scattering of the EM wave, electric field and laser heating localization, high stress gradients, dislocation density, andmore » crystalline shear slip accumulation. Viscous sliding in the binder was another energy dissipation mechanism that reduced stresses in aggregates with thicker binder ligaments and larger binder volume fractions. This investigation indicates the complex interactions between EM waves and mechanical behavior, for accurate predictions of laser irradiation of heterogeneous materials.« less

Identification and characterisation of water and alkali soluble oligosaccharides from hazelnut skin (Corylus avellana L.).

PubMed

Montella, Rosa; Coïsson, Jean Daniel; Travaglia, Fabiano; Locatelli, Monica; Bordiga, Matteo; Meyrand, Mickael; Barile, Daniela; Arlorio, Marco

2013-10-15

Hazelnut skins are a good example of agricultural by-product with the potential to become a valuable source of functional ingredients. In this work, the fibre from hazelnut skins was extracted by using water and alkali solution and characterised by a suite of analytical tools (MALDI-FTICR, nano LC-Chip-Q-ToF and gas chromatography). Over thirty complex free oligosaccharides, composed mainly of galacturonic acid and N-acetylgalactosamine, were characterised for the first time in the present study. Their concentration ranged between 16 and 34mg per g of extract. The oligosaccharides isolated from this agricultural by-product are mainly hexose oligosaccharides (potentially galacto-oligosaccharides,) and xyloglucans. The identified composition could justify the bioactive activity of the extracts, namely prebiotic activity, previously demonstrated. Copyright © 2013 Elsevier Ltd. All rights reserved.

Advancements in Binder Systems for Solid Freeform Fabrication

NASA Technical Reports Server (NTRS)

Cooper, Ken; Munafo, Paul (Technical Monitor)

2002-01-01

Paper will present recent developments in advanced material binder systems for solid freeform fabrication (SFF) technologies. The advantage of SFF is the capability to custom fabricate complex geometries directly from computer aided design data in layer- by-layer fashion, eliminated the need for traditional fixturing and tooling. Binders allow for the low temperature processing of 'green' structural materials, either metal, ceramic or composite, in traditional rapid prototyping machines. The greatest obstacle comes when green parts must then go through a sintering or burnout process to remove the binders and fully densify the parent material, without damaging or distorting the original part geometry. Critical issues and up-to-date assessments will be delivered on various material systems.

Signaling alkaline pH stress in the yeast Saccharomyces cerevisiae through the Wsc1 cell surface sensor and the Slt2 MAPK pathway.

PubMed

Serrano, Raquel; Martín, Humberto; Casamayor, Antonio; Ariño, Joaquín

2006-12-29

Alkalinization of the external environment represents a stress situation for Saccharomyces cerevisiae. Adaptation to this circumstance involves the activation of diverse response mechanisms, the components of which are still largely unknown. We show here that mutation of members of the cell integrity Pkc1/Slt2 MAPK module, as well as upstream and downstream elements of the system, confers sensitivity to alkali. Alkalinization resulted in fast and transient activation of the Slt2 MAPK, which depended on the integrity of the kinase module and was largely abolished by sorbitol. Lack of Wsc1, removal of specific extracellular and intracellular domains, or substitution of Tyr(303) in this putative membrane stress sensor rendered cells sensitive to alkali and considerably decreased alkali-induced Slt2 activation. In contrast, constitutive activation of Slt2 by the bck1-20 allele increased pH tolerance in the wsc1 mutant. DNA microarray analysis revealed that several genes encoding cell wall proteins, such as GSC2/FKS2, DFG5, SKT5, and CRH1, were induced, at least in part, by high pH in an Slt2-dependent manner. We observed that dfg5, skt5, and particularly dfg5 skt5 cells were alkali-sensitive. Therefore, our results show that an alkaline environment imposes a stress condition on the yeast cell wall. We propose that the Slt2-mediated MAPK pathway plays an important role in the adaptive response to this insult and that Wsc1 participates as an essential cell-surface pH sensor. Moreover, these results provide a new example of the complexity of the response of budding yeast to the alkalinization of the environment.

Corrosion resistance and biocompatibility of magnesium alloy modified by alkali heating treatment followed by the immobilization of poly (ethylene glycol), fibronectin and heparin.

PubMed

Pan, Changjiang; Hu, Youdong; Hou, Yu; Liu, Tao; Lin, Yuebin; Ye, Wei; Hou, Yanhua; Gong, Tao

2017-01-01

In recent years, magnesium alloys are attracting more and more attention as a kind of biodegradable metallic biomaterials, however, their uncontrollable biodegradation speed in vivo and the limited surface biocompatibility hinder their clinical applications. In the present study, with the aim of improving the corrosion resistance and biocompatibility, the magnesium alloy (AZ31B) surface was modified by alkali heating treatment followed by the self-assembly of 3-aminopropyltrimethoxysilane (APTMS). Subsequently, poly (ethylene glycol) (PEG) and fibronectin or fibronectin/heparin complex were sequentially immobilized on the modified surface. The results of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) and X-ray photoelectron spectroscopy (XPS) confirmed that the above molecules were successfully immobilized on the magnesium alloy surface. An excellent hydrophilic surface was obtained after the alkali heating treatment while the hydrophilicity decreased to some degree after the self-assembly of APTMS, the surface hydrophilicity was gradually improved again after the immobilization of PEG, fibronectin or fibronectin/heparin complex. The corrosion resistance of the control magnesium alloy was significantly improved by the alkali heating treatment. The self-assembly of APTMS and the following immobilization of PEG further enhanced the corrosion resistance of the substrates, however, the grafting of fibronectin or fibronectin/heparin complex slightly lowered the corrosion resistance. As compared to the pristine magnesium alloy, the samples modified by the immobilization of PEG and fibronectin/heparin complex presented better blood compatibility according to the results of hemolysis assay and platelet adhesion as well as the activated partial thromboplastin time (APTT). In addition, the modified substrates had better cytocompatibility to endothelial cells due to the improved anticorrosion and the introduction of fibronectin. The substrates modified by fibronectin or fibronectin/heparin complex can significantly promote endothelial cell adhesion and proliferation. Taking all these results into consideration, the method of the present study can be used for the surface modification of the magnesium alloy to simultaneously impart it better corrosion resistance, favorable blood compatibility and good cytocompatibility to endothelial cells. Copyright © 2016 Elsevier B.V. All rights reserved.

Regenerable activated bauxite adsorbent alkali monitor probe

DOEpatents

Lee, S.H.D.

1992-12-22

A regenerable activated bauxite adsorber alkali monitor probe for field applications to provide reliable measurement of alkali-vapor concentration in combustion gas with special emphasis on pressurized fluidized-bed combustion (PFBC) off-gas. More particularly, the invention relates to the development of a easily regenerable bauxite adsorbent for use in a method to accurately determine the alkali-vapor content of PFBC exhaust gases. 6 figs.

Preparation and Properties of Alkali Activated Metakaolin-Based Geopolymer.

PubMed

Chen, Liang; Wang, Zaiqin; Wang, Yuanyi; Feng, Jing

2016-09-08

The effective activation and utilization of metakaolin as an alkali activated geopolymer precursor and its use in concrete surface protection is of great interest. In this paper, the formula of alkali activated metakaolin-based geopolymers was studied using an orthogonal experimental design. It was found that the optimal geopolymer was prepared with metakaolin, sodium hydroxide, sodium silicate and water, with the molar ratio of SiO₂:Al₂O₃:Na₂O:NaOH:H₂O being 3.4:1.1:0.5:1.0:11.8. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR) were adopted to investigate the influence of curing conditions on the mechanical properties and microstructures of the geopolymers. The best curing condition was 60 °C for 168 h, and this alkali activated metakaolin-based geopolymer showed the highest compression strength at 52.26 MPa. In addition, hollow micro-sphere glass beads were mixed with metakaolin particles to improve the thermal insulation properties of the alkali activated metakaolin-based geopolymer. These results suggest that a suitable volume ratio of metakaolin to hollow micro-sphere glass beads in alkali activated metakaolin-based geopolymers was 6:1, which achieved a thermal conductivity of 0.37 W/mK and compressive strength of 50 MPa. By adjusting to a milder curing condition, as-prepared alkali activated metakaolin-based geopolymers could find widespread applications in concrete thermal protection.

Preparation and Properties of Alkali Activated Metakaolin-Based Geopolymer

PubMed Central

Chen, Liang; Wang, Zaiqin; Wang, Yuanyi; Feng, Jing

2016-01-01

The effective activation and utilization of metakaolin as an alkali activated geopolymer precursor and its use in concrete surface protection is of great interest. In this paper, the formula of alkali activated metakaolin-based geopolymers was studied using an orthogonal experimental design. It was found that the optimal geopolymer was prepared with metakaolin, sodium hydroxide, sodium silicate and water, with the molar ratio of SiO2:Al2O3:Na2O:NaOH:H2O being 3.4:1.1:0.5:1.0:11.8. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR) were adopted to investigate the influence of curing conditions on the mechanical properties and microstructures of the geopolymers. The best curing condition was 60 °C for 168 h, and this alkali activated metakaolin-based geopolymer showed the highest compression strength at 52.26 MPa. In addition, hollow micro-sphere glass beads were mixed with metakaolin particles to improve the thermal insulation properties of the alkali activated metakaolin-based geopolymer. These results suggest that a suitable volume ratio of metakaolin to hollow micro-sphere glass beads in alkali activated metakaolin-based geopolymers was 6:1, which achieved a thermal conductivity of 0.37 W/mK and compressive strength of 50 MPa. By adjusting to a milder curing condition, as-prepared alkali activated metakaolin-based geopolymers could find widespread applications in concrete thermal protection. PMID:28773888

Thermomechanical properties and fracture of resin-bonded-sand cores - Experimental study and application in aluminium foundry

NASA Astrophysics Data System (ADS)

Menet, Claire; Reynaud, Pascal; Fantozzi, Gilbert; Thibault, Delphine; Laforêt, Adrien

2017-06-01

Sand cores are used to produce internal cavities of metallic cast parts with complex shapes like automotive cylinder heads. Foundry cores are granular materials made of sand grains aggregated with binder bridges. In the cold box coring process, the binder is a polyurethane resin. It is noteworthy that during the casting of the liquid metal, the polymer binder is seriously damaged. This kind of materials has been poorly investigated so far. This study aims for a better understanding of the mechanical behaviour and fracture of cores subjected to various loads and thermal ageing. Particularly, the focus is on the decoring step, which consists in removing the sand by hammering and vibration of the metallic part after casting. This major project, generated from the collaboration of the aluminum casting company Montupet, and two laboratories Centre des Matériaux (CdM) and MATEIS, includes both experimental and numerical activities in order to model the decoring step of cylinder heads based on empiric data. Here, the experimental part of the work is presented.

Nanoscale Charge-Balancing Mechanism in Alkali-Substituted Calcium-Silicate-Hydrate Gels.

PubMed

Özçelik, V Ongun; White, Claire E

2016-12-15

Alkali-activated materials and related alternative cementitious systems are sustainable technologies that have the potential to substantially lower the CO 2 emissions associated with the construction industry. However, these systems have augmented chemical compositions as compared to ordinary Portland cement (OPC), which may impact the evolution of the hydrate phases. In particular, calcium-silicate-hydrate (C-S-H) gel, the main hydrate phase in OPC, is likely to be altered at the atomic scale due to changes in the bulk chemical composition, specifically via the addition of alkalis (i.e., Na or K) and aluminum. Here, via density functional theory calculations, we reveal the presence of a charge balancing mechanism at the molecular level in C-S-H gel (as modeled using crystalline 14 Å tobermorite) when alkalis and aluminum atoms are introduced into the structure. Different structural representations are obtained depending on the level of substitution and the degree of charge balancing incorporated in the structures. The impact of these substitutional and charge balancing effects on the structures is assessed by analyzing the formation energies, local bonding environments, diffusion barriers and mechanical properties. The results of this computational study provide information on the phase stability of alkali/aluminum containing C-S-H gels, shedding light on the fundamental atomic level mechanisms that play a crucial role in these complex disordered materials.

Mesoscale Effective Property Simulations Incorporating Conductive Binder

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

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Mesoscale Effective Property Simulations Incorporating Conductive Binder

DOE PAGES

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.; ...

2017-07-26

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Experimental and Numerical Study of Ammonium Perchlorate Counterflow Diffusion Flames

NASA Technical Reports Server (NTRS)

Smooke, M. D.; Yetter, R. A.; Parr, T. P.; Hanson-Parr, D. M.; Tanoff, M. A.

1999-01-01

Many solid rocket propellants are based on a composite mixture of ammonium perchlorate (AP) oxidizer and polymeric binder fuels. In these propellants, complex three-dimensional diffusion flame structures between the AP and binder decomposition products, dependent upon the length scales of the heterogeneous mixture, drive the combustion via heat transfer back to the surface. Changing the AP crystal size changes the burn rate of such propellants. Large AP crystals are governed by the cooler AP self-deflagration flame and burn slowly, while small AP crystals are governed more by the hot diffusion flame with the binder and burn faster. This allows control of composite propellant ballistic properties via particle size variation. Previous measurements on these diffusion flames in the planar two-dimensional sandwich configuration yielded insight into controlling flame structure, but there are several drawbacks that make comparison with modeling difficult. First, the flames are two-dimensional and this makes modeling much more complex computationally than with one-dimensional problems, such as RDX self- and laser-supported deflagration. In addition, little is known about the nature, concentration, and evolution rates of the gaseous chemical species produced by the various binders as they decompose. This makes comparison with models quite difficult. Alternatively, counterflow flames provide an excellent geometric configuration within which AP/binder diffusion flames can be studied both experimentally and computationally.

Effect of alkali lignins with different molecular weights from alkali pretreated rice straw hydrolyzate on enzymatic hydrolysis.

PubMed

Li, Yun; Qi, Benkun; Luo, Jianquan; Wan, Yinhua

2016-01-01

This study investigated the effect of alkali lignins with different molecular weights on enzymatic hydrolysis of lignocellulose. Different alkali lignins fractions, which were obtained from cascade ultrafiltration, were added into the dilute acid pretreated (DAP) and alkali pretreated (AP) rice straws respectively during enzymatic hydrolysis. The results showed that the addition of alkali lignins enhanced the hydrolysis and the enhancement for hydrolysis increased with increasing molecular weights of alkali lignins, with maximum enhancement being 28.69% for DAP and 20.05% for AP, respectively. The enhancement was partly attributed to the improved cellulase activity, and filter paper activity increased by 18.03% when adding lignin with highest molecular weight. It was found that the enhancement of enzymatic hydrolysis was correlated with the adsorption affinity of cellulase on alkali lignins, and the difference in surface charge and hydrophobicity of alkali lignins were responsible for the difference in affinity between cellulase and lignins. Copyright © 2015 Elsevier Ltd. All rights reserved.

Influence of alkali metal cations/type of activator on the structure of alkali-activated fly ash - ATR-FTIR studies

NASA Astrophysics Data System (ADS)

Król, M.; Rożek, P.; Chlebda, D.; Mozgawa, W.

2018-06-01

Coal fly ash as a secondary aluminosiliceous raw material that is commonly used in the so-called geopolymerization process has been activated with different alkali hydroxides solutions: LiOH, NaOH and KOH. Changes in the aluminosilicate structure of the material during alkali-activation have been analyzed in detail on the basis of ATR/FT-IR spectra. These changes mainly affect both the integral intensity and FWHM of bands in the range of 1200-950 cm-1, however dehydration and carbonation process can be also analyzed based on obtaining results.

ANTI-ULCER ACTIVITY OF THE ALKALI PREPARATION OF THE ROOT AND FRESH LEAF JUICE OF MORINGA OLEIFERA LAM

PubMed Central

Ruckmani, K.; Kavimani, S.; Jayakar, B.; Anandan, R.

1998-01-01

The alkali preparation of the root and fresh leaf juice of Moringa oleifera possessed significant dose –depen-dent anti-ulcer activity in experimentally induced acute gastric ulcers with aspirin, the anti-ulcer effect of the alkali preparation of the root seems to be more pronounced than that of the fresh leaf juice. Te anti-ulcer activity of the alkali preparation of the root could be due to its content of alkaloids or its anticholinergic and antihistaminic activities, or a combination of these factors. PMID:22556845

DNA-Encoded Dynamic Combinatorial Chemical Libraries.

PubMed

Reddavide, Francesco V; Lin, Weilin; Lehnert, Sarah; Zhang, Yixin

2015-06-26

Dynamic combinatorial chemistry (DCC) explores the thermodynamic equilibrium of reversible reactions. Its application in the discovery of protein binders is largely limited by difficulties in the analysis of complex reaction mixtures. DNA-encoded chemical library (DECL) technology allows the selection of binders from a mixture of up to billions of different compounds; however, experimental results often show low a signal-to-noise ratio and poor correlation between enrichment factor and binding affinity. Herein we describe the design and application of DNA-encoded dynamic combinatorial chemical libraries (EDCCLs). Our experiments have shown that the EDCCL approach can be used not only to convert monovalent binders into high-affinity bivalent binders, but also to cause remarkably enhanced enrichment of potent bivalent binders by driving their in situ synthesis. We also demonstrate the application of EDCCLs in DNA-templated chemical reactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Viscoelastic behaviour of cold recycled asphalt mixes

NASA Astrophysics Data System (ADS)

Cizkova, Zuzana; Suda, Jan

2017-09-01

Behaviour of cold recycled mixes depends strongly on both the bituminous binder content (bituminous emulsion or foamed bitumen) and the hydraulic binder content (usually cement). In the case of cold recycled mixes rich in bitumen and with low hydraulic binder content, behaviour is close to the viscoelastic behaviour of traditional hot mix asphalt. With decreasing bituminous binder content together with increasing hydraulic binder content, mixes are characteristic with brittle behaviour, typical for concrete pavements or hydraulically bound layers. The behaviour of cold recycled mixes with low content of both types of binders is similar to behaviour of unbound materials. This paper is dedicated to analysing of the viscoelastic behaviour of the cold recycled mixes. Therefore, the tested mixes contained higher amount of the bituminous binder (both foamed bitumen and bituminous emulsion). The best way to characterize any viscoelastic material in a wide range of temperatures and frequencies is through the master curves. This paper includes interesting findings concerning the dependency of both parts of the complex modulus (elastic and viscous) on the testing frequency (which simulates the speed of heavy traffic passing) and on the testing temperature (which simulates the changing climate conditions a real pavement is subjected to).

Evaluation of novel reactive MgO activated slag binder for the immobilisation of lead and zinc.

PubMed

Jin, Fei; Al-Tabbaa, Abir

2014-12-01

Although Portland cement is the most widely used binder in the stabilisation/solidification (S/S) processes, slag-based binders have gained significant attention recently due to their economic and environmental merits. In the present study, a novel binder, reactive MgO activated slag, is compared with hydrated lime activated slag in the immobilisation of lead and zinc. A series of lead or zinc-doped pastes and mortars were prepared with metal to binder ratio from 0.25% to 1%. The hydration products and microstructure were studied by X-ray diffraction, thermogravimetric analysis and scanning electron microscopy. The major hydration products were calcium silicate hydrate and hydrotalcite-like phases. The unconfined compressive strength was measured up to 160 d. Findings show that lead had a slight influence on the strength of MgO-slag paste while zinc reduced the strength significantly as its concentration increased. Leachate results using the TCLP tests revealed that the immobilisation degree was dependent on the pH and reactive MgO activated slag showed an increased pH buffering capacity, and thus improved the immobilisation efficiency compared to lime activated slag. It was proposed that zinc was mainly immobilised within the structure of the hydrotalcite-like phases or in the form of calcium zincate, while lead was primarily precipitated as the hydroxide. It is concluded, therefore, that reactive MgO activated slag can serve as clinker-free alternative binder in the S/S process. Copyright © 2014 Elsevier Ltd. All rights reserved.

Characterization of cellulolytic extract from Pycnoporus sanguineus PF-2 and its application in biomass saccharification.

PubMed

Falkoski, Daniel Luciano; Guimarães, Valéria Monteze; de Almeida, Maíra Nicolau; Alfenas, Acelino Couto; Colodette, Jorge Luiz; de Rezende, Sebastião Tavares

2012-03-01

The aim of this work was to evaluate the biochemical features of the white-rot fungi Pycnoporus sanguineus cellulolytic complex and its utilization to sugarcane bagasse hydrolysis. When cultivated under submerged fermentation using corn cobs as carbon source, P. sanguineus produced high FPase, endoglucanase, β-glucosidase, xylanase, mannanase, α-galactosidase, α-arabinofuranosidase, and polygalacturonase activities. Cellulase activities were characterized in relation to pH and temperature. β-Glucosidase and FPase activities were higher at 55 °C, pH 4.5, and endoglucanase activity was higher at 60 °C, in a pH range of 3.5-4.0. All cellulase activities were highly stable at 40 and 50 °C through 48 h of pre-incubation. Crude enzymatic extract from P. sanguineus was applied in a saccharification experiment using acid-treated and alkali-treated sugarcane bagasse as substrate, and the hydrolysis yields were compared to that obtained by a commercial cellulase preparation. Reducing sugar yields of 60.4% and 64.0% were reached when alkali-treated bagasse was hydrolyzed by P. sanguineus extract and commercial cellulase, respectively. Considering the glucose production, it was observed that P. sanguineus extract and commercial cellulase ensured yields of 22.6% and 36.5%, respectively. The saccharification of acid-treated bagasse was lower than that of alkali-treated bagasse regardless of the cellulolytic extract. The present work showed that P. sanguineus has a great potential as an enzyme producer for biomass saccharification.

Intrinsic differences in atomic ordering of calcium (alumino)silicate hydrates in conventional and alkali-activated cements

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

White, Claire E., E-mail: whitece@princeton.edu; Andlinger Center for Energy and the Environment, Princeton University, Princeton; Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos

2015-01-15

The atomic structures of calcium silicate hydrate (C–S–H) and calcium (–sodium) aluminosilicate hydrate (C–(N)–A–S–H) gels, and their presence in conventional and blended cement systems, have been the topic of significant debate over recent decades. Previous investigations have revealed that synthetic C–S–H gel is nanocrystalline and due to the chemical similarities between ordinary Portland cement (OPC)-based systems and low-CO{sub 2} alkali-activated slags, researchers have inferred that the atomic ordering in alkali-activated slag is the same as in OPC–slag cements. Here, X-ray total scattering is used to determine the local bonding environment and nanostructure of C(–A)–S–H gels present in hydrated tricalcium silicatemore » (C{sub 3}S), blended C{sub 3}S–slag and alkali-activated slag, revealing the large intrinsic differences in the extent of nanoscale ordering between C–S–H derived from C{sub 3}S and alkali-activated slag systems, which may have a significant influence on thermodynamic stability, and material properties at higher length scales, including long term durability of alkali-activated cements.« less

Effect of overcharge on Li(Ni0.5Mn0.3Co0.2)O2/Graphite lithium ion cells with poly(vinylidene fluoride) binder. I - Microstructural changes in the anode

NASA Astrophysics Data System (ADS)

Dietz Rago, Nancy; Bareño, Javier; Li, Jianlin; Du, Zhijia; Wood, David L.; Steele, Leigh Anna; Lamb, Joshua; Spangler, Scott; Grosso, Christopher; Fenton, Kyle; Bloom, Ira

2018-05-01

Cells based on NMC/graphite, containing poly(vinylidene difluoride) (PVDF) binders in the positive and negative electrodes, were systematically overcharged to 100, 120, 140, 160, 180, and 250% state-of-charge (SOC). At 250% SOC the cell vented. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) of the anodes showed several state-of-overcharge-dependent trends. Starting at 120% SOC, dendrites appeared and increased in concentration as the SOC increased. Dendrite morphology appeared to be dependent on whether the active material was on the "dull" or "shiny" side of the copper collector. Significantly more delamination of the active material from the collector was seen on the "shiny" side of the collector particularly at 180 and 250% SOC. Transition metals were detected at 120% SOC and increased in concentration as the SOC increased. There was considerable spatial heterogeneity in the microstructures across each laminate with several regions displaying complex layered structures.

Coupled channel effects on resonance states of positronic alkali atom

NASA Astrophysics Data System (ADS)

Yamashita, Takuma; Kino, Yasushi

2018-01-01

S-wave Feshbach resonance states belonging to dipole series in positronic alkali atoms (e+Li, e+Na, e+K, e+Rb and e+Cs) are studied by coupled-channel calculations within a three-body model. Resonance energies and widths below a dissociation threshold of alkali-ion and positronium are calculated with a complex scaling method. Extended model potentials that provide positronic pseudo-alkali-atoms are introduced to investigate the relationship between the resonance states and dissociation thresholds based on a three-body dynamics. Resonances of the dipole series below a dissociation threshold of alkali-atom and positron would have some associations with atomic energy levels that results in longer resonance lifetimes than the prediction of the analytical law derived from the ion-dipole interaction.

An Ab Initio Study of Alkali-C60 Complexes

NASA Astrophysics Data System (ADS)

Frick, Nathan; Hira, A. S.; Ray, A. K.

2003-03-01

We extend our previous work on fullerene-alkali complexes1-2 by presenting the results of an ab initio theoretical study of the alkali LiC60+, LiC60, NaC60+, NaC60, KC60+, and KC60 complexes. In the endohedral complexes for Li and Na, there is displacement of the adatom from the center. Of the ions, exohedral Li+ will sit closest to the cage, and among the neutrals, exohedral K remains closest. Bond lengths are consistently longer for the fivefold and threefold approaches. Adsorbates inside the fullerene donate negative charge to the carbons, but ions outside obtain a small amount, resulting in a polarization of the molecule. In the ion complexes, there is lowering of the orbital energy levels by 3 to 4 eV, resulting in an increase in the number of bound, but unoccupied, electronic orbitals. The HOMO-LUMO gap, of interest in superconductivity studies, is reduced by about 50 1. A.S. Hira and A.K. Ray, Phys. Rev. A 52, 141(1995); A 54, 2205(1996). 2. Ajit Hira and A. K. Ray, "An Initio Modeling of the Endohedral and Exohedral Complexes of C60Na2+ Complexes", Bull. Am. Phys. Soc. 47 (March 2002).

Processing of Building Binder Materials to Increase their Activation

NASA Astrophysics Data System (ADS)

Fediuk, R. S.; Garmashov, I. S.; Kuzmin, D. E.; Stoyushko, N. Yu; Gladkova, N. A.

2018-01-01

The paper deals modern physical methods of activation of building powder materials. During mechanical activation a composite binder active molecules cement minerals occur in the destruction of the molecular defects in the areas of packaging and breaking metastable phase decompensation intermolecular forces. The process is accompanied by a change in the kinetics of hardening of Portland cement. Activated concrete has a number of features that are used as design characteristics of structures and are due to the structure of the activated binder and its contacts with concrete aggregates. These features also have a significant impact on the nature of the destruction of concrete under load, changing the boundaries of its microcracks and durability.

Metasomatic alkali-feldspar syenites (episyenites) of the Proterozoic Suomenniemi rapakivi granite complex, southeastern Finland

NASA Astrophysics Data System (ADS)

Suikkanen, E.; Rämö, O. T.

2017-12-01

Peralkaline to marginally metaluminous alkali-feldspar syenites and quartz alkali-feldspar syenites are hosted by subalkaline, ferroan rapakivi granites in the 1644 Ma Suomenniemi complex of southeastern Finland. These alkali syenites form NW-oriented dikes and small (< 10 m in diameter) bodies that are distinguished from the surrounding granites by their color (violet-red), general lack of quartz, as well as pronounced interstitial character of mafic minerals. Microtextures of the syenites imply pervasive alkali metasomatism and growth of secondary sodic and oxidized ferromagnesian minerals. Both subsolvus ( Ab99 and Or90-100Ab0-10) and hypersolvus (Or40-60Ab40-60) feldspar assemblages are present and display red luminescence characteristic of alkali feldspar recrystallized in the presence of an oxidizing fluid. In the marginally metaluminous syenites, primary magmatic hastingsite has been metasomatized to ferro-actinolite or decomposed to ferro-ferri-hornblende and magnetite. In some of the peralkaline syenites, primary hastingsite was replaced by magnetite and feldspars and has been overgrown by aegirine-augite and riebeckite. Sodic clinopyroxene (sodic augite-aegirine) is the most common and, in many cases, the only ferromagnesian silicate in these syenites. Three peralkaline alkali-feldspar syenites analyzed for zircon U-Pb and O isotopic compositions by single-grain SIMS have zircon 207Pb/206Pb ages of 1645 ± 5, 1642 ± 4 and 1644 ± 4 Ma, and zircon δ18OVSMOW values of 8.04 ± 0.18, 8.19 ± 0.17 and 8.26 ± 0.17‰. Whole-rock Nd isotope data imply an overall εNd(1644 Ma) value of ca. - 1.5 for the syenites. These ages and isotopic fingerprints are, within error, identical to those of the subalkaline granites of the complex. We propose that the Suomenniemi alkali-feldspar syenites are episyenites, formed as the result of pervasive local metasomatism of the subalkaline granites caused by high-temperature oxidizing peralkaline fluids. The process led to major geochemical changes, e.g., addition of Na, Al and Fe3 +, depletion of Si and Fe2 +, and partial to complete recrystallization of the granites along fluid pathways.

Control of cerium oxidation state through metal complex secondary structures

DOE PAGES

Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; ...

2015-08-11

A series of alkali metal cerium diphenylhydrazido complexes, M x(py) y[Ce(PhNNPh) 4], M = Li, Na, and K, x = 4 (Li and Na) or 5 (K), and y = 4 (Li), 8 (Na), or 7 (K), were synthesized to probe how a secondary coordination sphere would modulate electronic structures at a cerium cation. The resulting electronic structures of the heterobimetallic cerium diphenylhydrazido complexes were found to be strongly dependent on the identity of the alkali metal cations. When M = Li + or Na +, the cerium(III) starting material was oxidized with concomitant reduction of 1,2-diphenylhydrazine to aniline. Reductionmore » of 1,2-diphenylhydrazine was not observed when M = K +, and the complex remained in the cerium(III) oxidation state. Oxidation of the cerium(III) diphenylhydrazido complex to the Ce( IV) diphenylhydrazido one was achieved through a simple cation exchange reaction of the alkali metals. As a result, UV-Vis spectroscopy, FTIR spectroscopy, electrochemistry, magnetic susceptibility, and DFT studies were used to probe the oxidation state and the electronic changes that occurred at the metal centre.« less

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Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-13

... Activities; Submission to OMB for Review and Approval; Comment Request; NESHAP for Mercury Cell Chlor- Alkali...: NESHAP for Mercury Cell Chlor-Alkali Plants (Renewal). ICR Numbers: EPA ICR Number 2046.07, OMB Control... disclose the information. Respondents/Affected Entities: Owners or operators of mercury cell chlor-alkali...

Cross-Genotypic Examination of Hepatitis C Virus Polymerase Inhibitors Reveals a Novel Mechanism of Action for Thumb Binders

PubMed Central

Eltahla, Auda A.; Tay, Enoch; Douglas, Mark W.

2014-01-01

Direct-acting antivirals (DAAs) targeting proteins encoded by the hepatitis C virus (HCV) genome have great potential for the treatment of HCV infections. However, the efficacy of DAAs designed to target genotype 1 (G1) HCV against non-G1 viruses has not been characterized fully. In this study, we investigated the inhibitory activities of nonnucleoside inhibitors (NNIs) against the HCV RNA-dependent RNA polymerase (RdRp). We examined the ability of six NNIs to inhibit G1b, G2a, and G3a subgenomic replicons in cell culture, as well as in vitro transcription by G1b and G3a recombinant RdRps. Of the six G1 NNIs, only the palm II binder nesbuvir demonstrated activity against G1, G2, and G3 HCV, in both replicon and recombinant enzyme models. The thumb I binder JTK-109 also inhibited G1b and G3a replicons and recombinant enzymes but was 41-fold less active against the G2a replicon. The four other NNIs, which included a palm I binder (setrobuvir), two thumb II binders (lomibuvir and filibuvir), and a palm β-hairpin binder (tegobuvir), all showed at least 40-fold decreases in potency against G2a and G3a replicons and the G3a enzyme. This antiviral resistance was largely conferred by naturally occurring amino acid residues in the G2a and G3a RdRps that are associated with G1 resistance. Lomibuvir and filibuvir (thumb II binders) inhibited primer-dependent but not de novo activity of the G1b polymerase. Surprisingly, these compounds instead specifically enhanced the de novo activity at concentrations of ≥100 nM. These findings highlight a potential differential mode of RdRp inhibition for HCV NNIs, depending on their prospective binding pockets, and also demonstrate a surprising enhancement of de novo activity for thumb RdRp binders. These results also provide a better understanding of the antiviral coverage for these polymerase inhibitors, which will likely be used in future combinational interferon-free therapies. PMID:25246395

Fabrication of sinterable silicon nitride by injection molding

NASA Technical Reports Server (NTRS)

Quackenbush, C. L.; French, K.; Neil, J. T.

1982-01-01

Transformation of structural ceramics from the laboratory to production requires development of near net shape fabrication techniques which minimize finish grinding. One potential technique for producing large quantities of complex-shaped parts at a low cost, and microstructure of sintered silicon nitride fabricated by injection molding is discussed and compared to data generated from isostatically dry-pressed material. Binder selection methodology, compounding of ceramic and binder components, injection molding techniques, and problems in binder removal are discussed. Strength, oxidation resistance, and microstructure of sintered silicon nitride fabricated by injection molding is discussed and compared to data generated from isostatically dry-pressed material.

Using the Concept of Transient Complex for Affinity Predictions in CAPRI Rounds 20–27 and Beyond

PubMed Central

Qin, Sanbo; Zhou, Huan-Xiang

2013-01-01

Predictions of protein-protein binders and binding affinities have traditionally focused on features pertaining to the native complexes. In developing a computational method for predicting protein-protein association rate constants, we introduced the concept of transient complex after mapping the interaction energy surface. The transient complex is located at the outer boundary of the bound-state energy well, having near-native separation and relative orientation between the subunits but not yet formed most of the short-range native interactions. We found that the width of the binding funnel and the electrostatic interaction energy of the transient complex are among the features predictive of binders and binding affinities. These ideas were very promising for the five affinity-related targets (T43–45, 55, and 56) of CAPRI rounds 20–27. For T43, we ranked the single crystallographic complex as number 1 and were one of only two groups that clearly identified that complex as a true binder; for T44, we ranked the only design with measurable binding affinity as number 4. For the nine docking targets, continuing on our success in previous CAPRI rounds, we produced 10 medium-quality models for T47 and acceptable models for T48 and T49. We conclude that the interaction energy landscape and the transient complex in particular will complement existing features in leading to better prediction of binding affinities. PMID:23873496

Alkaline Activator Impact on the Geopolymer Binders

NASA Astrophysics Data System (ADS)

Błaszczyński, Tomasz Z.; Król, Maciej R.

2017-10-01

Concrete structures are constantly moving in the direction of improving the durability. Durability depends on many factors, which are the composition of concrete mix, the usage of additives and admixtures and the place, where material will work and carry the load. The introduction of new geopolymer binders for geopolymer structures adds a new aspect that is type of used activator. This substance with strongly alkaline reaction is divided because of the physical state, the alkaline degree and above all the chemical composition. Taking into account, that at present the geopolymer binders are made essentially from waste materials or by-products from the combustion of coal or iron ore smelting, unambiguous determination of the effect of the activator on the properties of the geopolymer material requires a number of trials, researches and observation. This paper shows the influence of the most alkaline activators on the basic parameters of the durability of geopolymer binders. In this study there were used highly alkaline hydroxides, water glasses and granules, which are waste materials in a variety of processes taking place in chemical plants. As the substrate of geopolymer binders there were used fly ash which came from coal and high calcareous ash from the burning of lignite.

Structural Information Inference from Lanthanoid Complexing Systems: Photoluminescence Studies on Isolated Ions

NASA Astrophysics Data System (ADS)

Greisch, Jean Francois; Harding, Michael E.; Chmela, Jiri; Klopper, Willem M.; Schooss, Detlef; Kappes, Manfred M.

2016-06-01

The application of lanthanoid complexes ranges from photovoltaics and light-emitting diodes to quantum memories and biological assays. Rationalization of their design requires a thorough understanding of intramolecular processes such as energy transfer, charge transfer, and non-radiative decay involving their subunits. Characterization of the excited states of such complexes considerably benefits from mass spectrometric methods since the associated optical transitions and processes are strongly affected by stoichiometry, symmetry, and overall charge state. We report herein spectroscopic measurements on ensembles of ions trapped in the gas phase and soft-landed in neon matrices. Their interpretation is considerably facilitated by direct comparison with computations. The combination of energy- and time-resolved measurements on isolated species with density functional as well as ligand-field and Franck-Condon computations enables us to infer structural as well as dynamical information about the species studied. The approach is first illustrated for sets of model lanthanoid complexes whose structure and electronic properties are systematically varied via the substitution of one component (lanthanoid or alkali,alkali-earth ion): (i) systematic dependence of ligand-centered phosphorescence on the lanthanoid(III) promotion energy and its impact on sensitization, and (ii) structural changes induced by the substitution of alkali or alkali-earth ions in relation with structures inferred using ion mobility spectroscopy. The temperature dependence of sensitization is briefly discussed. The focus is then shifted to measurements involving europium complexes with doxycycline an antibiotic of the tetracycline family. Besides discussing the complexes' structural and electronic features, we report on their use to monitor enzymatic processes involving hydrogen peroxide or biologically relevant molecules such as adenosine triphosphate (ATP).

Electronic structure of semiconducting alkali-metal silicides and germanides

NASA Astrophysics Data System (ADS)

Tegze, M.; Hafner, J.

1989-11-01

We present self-consistent linearized-muffin-tin-orbital calculations of the electronic structure of three alkali-metal germanides and silicides (KGe, NaGe, and NaSi). Like the alkali-metal-lead compounds investigated in our earlier work [M. Tegze and J. Hafner, Phys. Rev. B 39, 8263 (1989)] the Ge and Si compounds of the alkali metals form complex structures based on the packing of tetrahedral Ge4 and Si4 clusters. Our calculations show that all three compounds are narrow-gap semiconductors. The width of the energy gap depends on two main factors: the ratio of the intracluster to the intercluster interactions between the group-IV elements (which increases from Pb to Si) and the strength of the interactions between the alkali-metal atoms (which varies with the size ratio).

High-discharge-rate lithium ion battery

DOEpatents

Liu, Gao; Battaglia, Vincent S; Zheng, Honghe

2014-04-22

The present invention provides for a lithium ion battery and process for creating such, comprising higher binder to carbon conductor ratios than presently used in the industry. The battery is characterized by much lower interfacial resistances at the anode and cathode as a result of initially mixing a carbon conductor with a binder, then with the active material. Further improvements in cycleability can also be realized by first mixing the carbon conductor with the active material first and then adding the binder.

Influence of Mycotoxins and a Mycotoxin Adsorbing Agent on the Oral Bioavailability of Commonly Used Antibiotics in Pigs

PubMed Central

Goossens, Joline; Vandenbroucke, Virginie; Pasmans, Frank; De Baere, Siegrid; Devreese, Mathias; Osselaere, Ann; Verbrugghe, Elin; Haesebrouck, Freddy; De Saeger, Sarah; Eeckhout, Mia; Audenaert, Kris; Haesaert, Geert; De Backer, Patrick; Croubels, Siska

2012-01-01

It is recognized that mycotoxins can cause a variety of adverse health effects in animals, including altered gastrointestinal barrier function. It is the aim of the present study to determine whether mycotoxin-contaminated diets can alter the oral bioavailability of the antibiotics doxycycline and paromomycin in pigs, and whether a mycotoxin adsorbing agent included into diets interacts with those antibiotics. Experiments were conducted with pigs utilizing diets that contained blank feed, mycotoxin-contaminated feed (T-2 toxin or deoxynivalenol), mycotoxin-contaminated feed supplemented with a glucomannan mycotoxin binder, or blank feed supplemented with mycotoxin binder. Diets with T-2 toxin and binder or deoxynivalenol and binder induced increased plasma concentrations of doxycycline administered as single bolus in pigs compared to diets containing blank feed. These results suggest that complex interactions may occur between mycotoxins, mycotoxin binders, and antibiotics which could alter antibiotic bioavailability. This could have consequences for animal toxicity, withdrawal time for oral antibiotics, or public health. PMID:22606377

Power plant wastes capitalization as geopolymeric building materials

NASA Astrophysics Data System (ADS)

Ciobanu, Gabriela; Litu, Loredana; Harja, Maria

2017-11-01

In this innovative study, we are present an investigation over the properties of geopolymeric materials prepared using ash supplied by power plant Iasi, Romania and sodium hydroxide solutions/pellets. Having as objective a minimum consumption of energy and materials was developed a class of advanced eco-materials. New synthesized materials can be used as a binder for cement replacement or for the removal/immobilization of pollutants from waste waters or soils. It offers an advanced and low cost-effective solution too many problems, where waste must be capitalized. The geopolymer formation, by hydrothermal method, is influenced by: temperature (20-600°C), alkali concentration (2M-6M), solid /liquid ratio (1-2), ash composition, time of heating (2-48 h), etc. The behaviour of the FTIR peak of 6M sample indicated upper quantity of geopolymer formation at the first stage of the reaction. XRD spectra indicated phases like sodalite, faujasite, Na-Y, which are known phases of geopolymer/zeolite. Advanced destroyed of ash particles due to geopolymerisation reaction were observed when the temperature was higher. At the constant temperature the percentage of geopolymer increases with increasing of curing time, from 4-48 h. Geopolymer materials are environmentally friendly, for its obtaining energy consumption, and CO2 emission is reduced compared to cement binder.

Controllable Electrochemical Fabrication of KO2-Decorated Binder-Free Cathodes for Rechargeable Lithium-Oxygen Batteries.

PubMed

Yu, Wei; Wang, Huwei; Qin, Lei; Hu, Junyang; Liu, Liang; Li, Baohua; Zhai, Dengyun; Kang, Feiyu

2018-05-23

Understanding the electrochemical property of superoxides in alkali metal oxygen batteries is critical for the design of a stable oxygen battery with high capacity and long cycle performance. In this work, a KO 2 -decorated binder-free cathode is fabricated by a simple and efficient electrochemical strategy. KO 2 nanoparticles are uniformly coated on the carbon nanotube film (CNT-f) through a controllable discharge process in the K-O 2 battery, and the KO 2 -decorated CNT-f is innovatively introduced into the Li-O 2 battery as the O 2 diffusion electrode. The Li-O 2 battery based on the KO 2 -decorated CNT-f cathode can deliver enhanced discharge capacity, reduced charge overpotential, and more stable cycle performance compared with the battery in the absence of KO 2 . In situ formed KO 2 particles on the surface of CNT-f cathode assist to form Li 2 O 2 nanosheets in the Li-O 2 battery, which contributes to the improvement of discharge capacity and cycle life. Interestingly, the analysis of KO 2 -decorated CNT-f cathodes, after discharge and cycle tests, reveals that the electrochemically synthesized KO 2 seems not a conventional electrocatalyst but a partially dissolvable and decomposable promoter in Li-O 2 batteries.

Estimation of Standard Error of Regression Effects in Latent Regression Models Using Binder's Linearization. Research Report. ETS RR-07-09

ERIC Educational Resources Information Center

Li, Deping; Oranje, Andreas

2007-01-01

Two versions of a general method for approximating standard error of regression effect estimates within an IRT-based latent regression model are compared. The general method is based on Binder's (1983) approach, accounting for complex samples and finite populations by Taylor series linearization. In contrast, the current National Assessment of…

Validation of an in situ solidification/stabilization technique for hazardous barium and cyanide waste for safe disposal into a secured landfill.

PubMed

Vaidya, Rucha; Kodam, Kisan; Ghole, Vikram; Surya Mohan Rao, K

2010-09-01

The aim of the present study was to devise and validate an appropriate treatment process for disposal of hazardous barium and cyanide waste into a landfill at a Common Hazardous Waste Treatment Storage Disposal Facility (CHWTSDF). The waste was generated during the process of hardening of steel components and contains cyanide (reactive) and barium (toxic) as major contaminants. In the present study chemical fixation of the contaminants was carried out. The cyanide was treated by alkali chlorination with calcium hypochlorite and barium by precipitation with sodium sulfate as barium sulfate. The pretreated mixture was then solidified and stabilized by binding with a combination of slag cement, ordinary Portland cement and fly ash, molded into blocks (5 x 5 x 5 cm) and cured for a period of 3, 7 and 28 days. The final experiments were conducted with 18 recipe mixtures of waste + additive:binder (W:B) ratios. The W:B ratios were taken as 80:20, 70:30 and 50:50. The optimum proportions of additives and binders were finalized on the basis of the criteria of unconfined compressive strength and leachability. The leachability studies were conducted using the Toxicity Characteristic Leaching Procedure. The blocks were analyzed for various physical and leachable chemical parameters at the end of each curing period. Based on the results of the analysis, two recipe mixtures, with compositions - 50% of [waste + (120 g Ca(OCl)(2) + 290 g Na(2)SO(4)) kg(-1) of waste] + 50% of binders, were validated for in situ stabilization into a secured landfill of CHWTSDF. 2010 Elsevier Ltd. All rights reserved.

A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

PubMed

Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

2016-09-27

Binary catalyst systems comprising a cationic Ru-CNC pincer complex and an alkali metal salt were developed for selective hydroboration of CO 2 utilizing pinacolborane at r.t. and 1 atm CO 2 , with the combination of [Ru(CNC Bn )(CO) 2 (H)][PF 6 ] and KOCO 2 t Bu producing formoxyborane in 76% yield. A bicyclic catalytic mechanism was proposed and discussed.

On the Utilization of Pozzolanic Wastes as an Alternative Resource of Cement

PubMed Central

Karim, Md. Rezaul; Hossain, Md. Maruf; Khan, Mohammad Nabi Newaz; Zain, Muhammad Fauzi Mohd; Jamil, Maslina; Lai, Fook Chuan

2014-01-01

Recently, as a supplement of cement, the utilization of pozzolanic materials in cement and concrete manufacturing has increased significantly. This study investigates the scope to use pozzolanic wastes (slag, palm oil fuel ash and rice husk ash) as an alkali activated binder (AAB) that can be used as an alternative to cement. To activate these materials, sodium hydroxide solution was used at 1.0, 2.5 and 5.0 molar concentration added into the mortar, separately. The required solution was used to maintain the flow of mortar at 110% ± 5%. The consistency and setting time of the AAB-paste were determined. Mortar was tested for its flow, compressive strength, porosity, water absorption and thermal resistance (heating at 700 °C) and investigated by scanning electron microscopy. The experimental results reveal that AAB-mortar exhibits less flow than that of ordinary Portland cement (OPC). Surprisingly, AAB-mortars (with 2.5 molar solution) achieved a compressive strength of 34.3 MPa at 28 days, while OPC shows that of 43.9 MPa under the same conditions. Although water absorption and porosity of the AAB-mortar are slightly high, it shows excellent thermal resistance compared to OPC. Therefore, based on the test results, it can be concluded that in the presence of a chemical activator, the aforementioned pozzolans can be used as an alternative material for cement. PMID:28788277

On the Utilization of Pozzolanic Wastes as an Alternative Resource of Cement.

PubMed

Karim, Md Rezaul; Hossain, Md Maruf; Khan, Mohammad Nabi Newaz; Zain, Muhammad Fauzi Mohd; Jamil, Maslina; Lai, Fook Chuan

2014-12-05

Recently, as a supplement of cement, the utilization of pozzolanic materials in cement and concrete manufacturing has increased significantly. This study investigates the scope to use pozzolanic wastes (slag, palm oil fuel ash and rice husk ash) as an alkali activated binder (AAB) that can be used as an alternative to cement. To activate these materials, sodium hydroxide solution was used at 1.0, 2.5 and 5.0 molar concentration added into the mortar, separately. The required solution was used to maintain the flow of mortar at 110% ± 5%. The consistency and setting time of the AAB-paste were determined. Mortar was tested for its flow, compressive strength, porosity, water absorption and thermal resistance (heating at 700 °C) and investigated by scanning electron microscopy. The experimental results reveal that AAB-mortar exhibits less flow than that of ordinary Portland cement (OPC). Surprisingly, AAB-mortars (with 2.5 molar solution) achieved a compressive strength of 34.3 MPa at 28 days, while OPC shows that of 43.9 MPa under the same conditions. Although water absorption and porosity of the AAB-mortar are slightly high, it shows excellent thermal resistance compared to OPC. Therefore, based on the test results, it can be concluded that in the presence of a chemical activator, the aforementioned pozzolans can be used as an alternative material for cement.

Effects of phosphate binders in moderate CKD.

PubMed

Block, Geoffrey A; Wheeler, David C; Persky, Martha S; Kestenbaum, Bryan; Ketteler, Markus; Spiegel, David M; Allison, Matthew A; Asplin, John; Smits, Gerard; Hoofnagle, Andrew N; Kooienga, Laura; Thadhani, Ravi; Mannstadt, Michael; Wolf, Myles; Chertow, Glenn M

2012-08-01

Some propose using phosphate binders in the CKD population given the association between higher levels of phosphorus and mortality, but their safety and efficacy in this population are not well understood. Here, we aimed to determine the effects of phosphate binders on parameters of mineral metabolism and vascular calcification among patients with moderate to advanced CKD. We randomly assigned 148 patients with estimated GFR=20-45 ml/min per 1.73 m(2) to calcium acetate, lanthanum carbonate, sevelamer carbonate, or placebo. The primary endpoint was change in mean serum phosphorus from baseline to the average of months 3, 6, and 9. Serum phosphorus decreased from a baseline mean of 4.2 mg/dl in both active and placebo arms to 3.9 mg/dl with active therapy and 4.1 mg/dl with placebo (P=0.03). Phosphate binders, but not placebo, decreased mean 24-hour urine phosphorus by 22%. Median serum intact parathyroid hormone remained stable with active therapy and increased with placebo (P=0.002). Active therapy did not significantly affect plasma C-terminal fibroblast growth factor 23 levels. Active therapy did, however, significantly increase calcification of the coronary arteries and abdominal aorta (coronary: median increases of 18.1% versus 0.6%, P=0.05; abdominal aorta: median increases of 15.4% versus 3.4%, P=0.03). In conclusion, phosphate binders significantly lower serum and urinary phosphorus and attenuate progression of secondary hyperparathyroidism among patients with CKD who have normal or near-normal levels of serum phosphorus; however, they also promote the progression of vascular calcification. The safety and efficacy of phosphate binders in CKD remain uncertain.

Coordination Chemistry of Alkali and Alkaline-Earth Cations with Macrocyclic Ligands.

ERIC Educational Resources Information Center

Dietrich, Bernard

1985-01-01

Discusses: (l) alkali and alkaline-earth cations in biology (considering naturally occurring lonophores, their X-ray structures, and physiochemical studies); (2) synthetic complexing agents for groups IA and IIA; and (3) ion transport across membranes (examining neutral macrobicyclic ligands as metal cation carriers, transport by anionic carriers,…

Molecular understanding of polyelectrolyte binders that actively regulate ion transport in sulfur cathodes

DOE PAGES

Li, Longjun; Pascal, Tod A.; Connell, Justin G.; ...

2017-12-22

Polymer binders in battery electrodes may be either active or passive. This distinction depends on whether the polymer influences charge or mass transport in the electrode. Though it is desirable to understand how to tailor the macromolecular design of a polymer to play a passive or active role, design rules are still lacking, as is a framework to assess the divergence in such behaviors. We reveal the molecular-level underpinnings that distinguish an active polyelectrolyte binder designed for lithium-sulfur batteries from a passive alternative. The binder, a cationic polyelectrolyte, is shown to both facilitate lithium-ion transport through its reconfigurable network ofmore » mobile anions and restrict polysulfide diffusion from mesoporous carbon hosts by anion metathesis, which we show is selective for higher oligomers. These attributes then allow cells to be operated for > 100 cycles with excellent rate capability using cathodes with areal sulfur loadings up to 8.1 mg cm -2 .« less

Optimization of Microporous Carbon Structures for Lithium-Sulfur Battery Applications in Carbonate-Based Electrolyte.

PubMed

Hu, Lei; Lu, Yue; Li, Xiaona; Liang, Jianwen; Huang, Tao; Zhu, Yongchun; Qian, Yitai

2017-03-01

Developing appropriate sulfur cathode materials in carbonate-based electrolyte is an important research subject for lithium-sulfur batteries. Although several microporous carbon materials as host for sulfur reveal the effect, methods for producing microporous carbon are neither easy nor well controllable. Moreover, due to the complexity and limitation of microporous carbon in their fabrication process, there has been rare investigation of influence on electrochemical behavior in the carbonate-based electrolyte for lithium-sulfur batteries by tuning different micropore size(0-2 nm) of carbon host. Here, we demonstrate an immediate carbonization process, self-activation strategy, which can produce microporous carbon for a sulfur host from alkali-complexes. Besides, by changing different alkali-ion in the previous complex, the obtained microporous carbon exhibits a major portion of ultramicropore (<0.7 nm, from 54.9% to 25.8%) and it is demonstrated that the micropore structure of the host material plays a vital role in confining sulfur molecule. When evaluated as cathode materials in a carbonate-based electrolyte for Li-S batteries, such microporous carbon/sulfur composite can provide high reversible capacity, cycling stability and good rate capability. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Material and Structural Design of Novel Binder Systems for High-Energy, High-Power Lithium-Ion Batteries

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

Shi, Ye; Zhou, Xingyi; Yu, Guihua

Developing high-performance battery systems requires the optimization of every battery component, from electrodes and electrolyte to binder systems. However, the conventional strategy to fabricate battery electrodes by casting a mixture of active materials, a nonconductive polymer binder, and a conductive additive onto a metal foil current collector usually leads to electronic or ionic bottlenecks and poor contacts due to the randomly distributed conductive phases. When high-capacity electrode materials are employed, the high stress generated during electrochemical reactions disrupts the mechanical integrity of traditional binder systems, resulting in decreased cycle life of batteries. Thus, it is critical to design novel bindermore » systems that can provide robust, low-resistance, and continuous internal pathways to connect all regions of the electrode. Here in this Account, we review recent progress on material and structural design of novel binder systems. Nonconductive polymers with rich carboxylic groups have been adopted as binders to stabilize ultrahigh-capacity inorganic electrodes that experience large volume or structural change during charge/discharge, due to their strong binding capability to active particles. To enhance the energy density of batteries, different strategies have been adopted to design multifunctional binder systems based on conductive polymers because they can play dual functions of both polymeric binders and conductive additives. We first present that multifunctional binder systems have been designed by tailoring the molecular structures of conductive polymers. Different functional groups are introduced to the polymeric backbone to enable multiple functionalities, allowing separated optimization of the mechanical and swelling properties of the binders without detrimental effect on electronic property. Then, we describe the design of multifunctional binder systems via rationally controlling their nano- and molecular structures, developing the conductive polymer gel binders with 3D framework nanostructures. These gel binders provide multiple functions owing to their structure derived properties. The gel framework facilitates both electronic and ionic transport owing to the continuous pathways for electrons and hierarchical pores for ion diffusion. The polymer coating formed on every particle acts as surface modification and prevents particle aggregation. The mechanically strong and ductile gel framework also sustains long-term stability of electrodes. In addition, the structures and properties of gel binders can be facilely tuned. We further introduce the development of multifunctional binders by hybridizing conductive polymers with other functional materials. Meanwhile mechanistic understanding on the roles that novel binders play in the electrochemical processes of batteries is also reviewed to reveal general design rules for future binder systems. We conclude with perspectives on their future development with novel multifunctionalities involved. Highly efficient binder systems with well-tailored molecular and nanostructures are critical to reach the entire volume of the battery and maximize energy use for high-energy and high-power lithium batteries. We hope this Account promotes further efforts toward synthetic control, fundamental investigation, and application exploration of multifunctional binder materials.« less

Material and Structural Design of Novel Binder Systems for High-Energy, High-Power Lithium-Ion Batteries

DOE PAGES

Shi, Ye; Zhou, Xingyi; Yu, Guihua

2017-10-05

Developing high-performance battery systems requires the optimization of every battery component, from electrodes and electrolyte to binder systems. However, the conventional strategy to fabricate battery electrodes by casting a mixture of active materials, a nonconductive polymer binder, and a conductive additive onto a metal foil current collector usually leads to electronic or ionic bottlenecks and poor contacts due to the randomly distributed conductive phases. When high-capacity electrode materials are employed, the high stress generated during electrochemical reactions disrupts the mechanical integrity of traditional binder systems, resulting in decreased cycle life of batteries. Thus, it is critical to design novel bindermore » systems that can provide robust, low-resistance, and continuous internal pathways to connect all regions of the electrode. Here in this Account, we review recent progress on material and structural design of novel binder systems. Nonconductive polymers with rich carboxylic groups have been adopted as binders to stabilize ultrahigh-capacity inorganic electrodes that experience large volume or structural change during charge/discharge, due to their strong binding capability to active particles. To enhance the energy density of batteries, different strategies have been adopted to design multifunctional binder systems based on conductive polymers because they can play dual functions of both polymeric binders and conductive additives. We first present that multifunctional binder systems have been designed by tailoring the molecular structures of conductive polymers. Different functional groups are introduced to the polymeric backbone to enable multiple functionalities, allowing separated optimization of the mechanical and swelling properties of the binders without detrimental effect on electronic property. Then, we describe the design of multifunctional binder systems via rationally controlling their nano- and molecular structures, developing the conductive polymer gel binders with 3D framework nanostructures. These gel binders provide multiple functions owing to their structure derived properties. The gel framework facilitates both electronic and ionic transport owing to the continuous pathways for electrons and hierarchical pores for ion diffusion. The polymer coating formed on every particle acts as surface modification and prevents particle aggregation. The mechanically strong and ductile gel framework also sustains long-term stability of electrodes. In addition, the structures and properties of gel binders can be facilely tuned. We further introduce the development of multifunctional binders by hybridizing conductive polymers with other functional materials. Meanwhile mechanistic understanding on the roles that novel binders play in the electrochemical processes of batteries is also reviewed to reveal general design rules for future binder systems. We conclude with perspectives on their future development with novel multifunctionalities involved. Highly efficient binder systems with well-tailored molecular and nanostructures are critical to reach the entire volume of the battery and maximize energy use for high-energy and high-power lithium batteries. We hope this Account promotes further efforts toward synthetic control, fundamental investigation, and application exploration of multifunctional binder materials.« less

Low-stringency selection of TEM1 for BLIP shows interface plasticity and selection for faster binders

PubMed Central

Cohen-Khait, Ruth; Schreiber, Gideon

2016-01-01

Protein–protein interactions occur via well-defined interfaces on the protein surface. Whereas the location of homologous interfaces is conserved, their composition varies, suggesting that multiple solutions may support high-affinity binding. In this study, we examined the plasticity of the interface of TEM1 β-lactamase with its protein inhibitor BLIP by low-stringency selection of a random TEM1 library using yeast surface display. Our results show that most interfacial residues could be mutated without a loss in binding affinity, protein stability, or enzymatic activity, suggesting plasticity in the interface composition supporting high-affinity binding. Interestingly, many of the selected mutations promoted faster association. Further selection for faster binders was achieved by drastically decreasing the library–ligand incubation time to 30 s. Preequilibrium selection as suggested here is a novel methodology for specifically selecting faster-associating protein complexes. PMID:27956635

Electrical properties of alkali-activated slag composite with combined graphite/CNT filler

NASA Astrophysics Data System (ADS)

Rovnaník, P.; Míková, M.; Kusák, I.

2017-10-01

Alkali-activated industrial by-products such as blast furnace slag are known to possess properties which are comparable to or even better than those observed for ordinary Portland cement. The combination of alkali-activated slag matrix with conductive filler introduces new functionalities which are commonly known for self-sensing or self-heating concrete. The present paper discusses the effect of the mixture of two different conductive fillers, graphite powder and carbon nanotubes (CNTs), on the electrical properties of alkali-activated slag mortars. Prepared samples were also tested for their mechanical properties and microstructure was investigated by means of mercury intrusion porosimetry and scanning electron microscopy. The percolation threshold for the resistance was reached for the mixture containing 0.1% CNTs and 8% graphite powder.

Alkali Metal Ion Complexes with Phosphates, Nucleotides, Amino Acids, and Related Ligands of Biological Relevance. Their Properties in Solution.

PubMed

Crea, Francesco; De Stefano, Concetta; Foti, Claudia; Lando, Gabriele; Milea, Demetrio; Sammartano, Silvio

2016-01-01

Alkali metal ions play very important roles in all biological systems, some of them are essential for life. Their concentration depends on several physiological factors and is very variable. For example, sodium concentrations in human fluids vary from quite low (e.g., 8.2 mmol dm(-3) in mature maternal milk) to high values (0.14 mol dm(-3) in blood plasma). While many data on the concentration of Na(+) and K(+) in various fluids are available, the information on other alkali metal cations is scarce. Since many vital functions depend on the network of interactions occurring in various biofluids, this chapter reviews their complex formation with phosphates, nucleotides, amino acids, and related ligands of biological relevance. Literature data on this topic are quite rare if compared to other cations. Generally, the stability of alkali metal ion complexes of organic and inorganic ligands is rather low (usually log K < 2) and depends on the charge of the ligand, owing to the ionic nature of the interactions. At the same time, the size of the cation is an important factor that influences the stability: very often, but not always (e.g., for sulfate), it follows the trend Li(+) > Na(+) > K(+) > Rb(+) > Cs(+). For example, for citrate it is: log K ML = 0.88, 0.80, 0.48, 0.38, and 0.13 at 25 °C and infinite dilution. Some considerations are made on the main aspects related to the difficulties in the determination of weak complexes. The importance of the alkali metal ion complexes was also studied in the light of modelling natural fluids and in the use of these cations as probes for different processes. Some empirical relationships are proposed for the dependence of the stability constants of Na(+) complexes on the ligand charge, as well as for correlations among log K values of NaL, KL or LiL species (L = generic ligand).

Stress and Strain in Silicon Electrode Models

DOE PAGES

Higa, Kenneth; Srinivasan, Venkat

2015-03-24

While the high capacity of silicon makes it an attractive negative electrode for Li-ion batteries, the associated large volume change results in fracture and capacity fade. Composite electrodes incorporating silicon have additional complexity, as active material is attached to surrounding material which must likewise experience significant volume change. In this paper, a finite-deformation model is used to explore, for the first time, mechanical interactions between a silicon particle undergoing lithium insertion, and attached binder material. Simulations employ an axisymmetric model system in which solutions vary in two spatial directions and shear stresses develop at interfaces between materials. The mechanical responsemore » of the amorphous active material is dependent on lithium concentration, and an equation of state incorporating reported volume expansion data is used. Simulations explore the influence of active material size and binder stiffness, and suggest delamination as an additional mode of material damage. Computed strain energies and von Mises equivalent stresses are in physically-relevant ranges, comparable to reported yield stresses and adhesion energies, and predicted trends are largely consistent with reported experimental results. It is hoped that insights from this work will support the design of more robust silicon composite electrodes.« less

Multiscale Simulation Platform Linking Lithium Ion Battery Electrode Fabrication Process with Performance at the Cell Level.

PubMed

Ngandjong, Alain C; Rucci, Alexis; Maiza, Mariem; Shukla, Garima; Vazquez-Arenas, Jorge; Franco, Alejandro A

2017-12-07

A novel multiscale modeling platform is proposed to demonstrate the importance of particle assembly during battery electrode fabrication by showing its effect on battery performance. For the first time, a discretized three-dimensional (3D) electrode resulting from the simulation of its fabrication has been incorporated within a 3D continuum performance model. The study used LiNi 0.5 Co 0.2 Mn 0.3 O 2 as active material, and the effect of changes of electrode formulation is explored for three cases, namely 85:15, 90:10, and 95:5 ratios between active material and carbon-binder domains. Coarse-grained molecular dynamics is used to simulate the electrode fabrication. The resulting electrode mesostructure is characterized in terms of active material surface coverage by the carbon-binder domains and porosity. The trends observed are nonintuitive, indicating a high degree of complexity of the system. These structures are subsequently implemented into a 3D continuum model which displays distinct discharge behaviors for the three cases. The study offers a method for developing a coherent theoretical understanding of electrode fabrication that can help optimize battery performance.

Effect of overcharge on Li(Ni 0.5Mn 0.3Co 0.2)O 2/Graphite lithium ion cells with poly(vinylidene fluoride) binder. I - Microstructural changes in the anode

DOE PAGES

Dietz Rago, Nancy; Bareno, Javier; Li, Jianlin; ...

2018-03-17

Cells based on NMC/graphite, containing poly(vinylidene difluoride) (PVDF) binders in the positive and negative electrodes, were systematically overcharged to 100, 120, 140, 160, 180, and 250% state-of-charge (SOC). At 250% SOC the cell vented. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) of the anodes showed several state-of-overcharge-dependent trends. Starting at 120% SOC, dendrites appeared and increased in concentration as the SOC increased. Dendrite morphology appeared to be dependent on whether the active material was on the “dull” or “shiny” side of the copper collector. Significantly more delamination of the active material from the collector was seen on themore » “shiny” side of the collector particularly at 180 and 250% SOC. Transition metals were detected at 120% SOC and increased in concentration as the SOC increased. Finally, there was considerable spatial heterogeneity in the microstructures across each laminate with several regions displaying complex layered structures.« less

Effect of overcharge on Li(Ni 0.5Mn 0.3Co 0.2)O 2/Graphite lithium ion cells with poly(vinylidene fluoride) binder. I - Microstructural changes in the anode

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

Dietz Rago, Nancy; Bareno, Javier; Li, Jianlin

Cells based on NMC/graphite, containing poly(vinylidene difluoride) (PVDF) binders in the positive and negative electrodes, were systematically overcharged to 100, 120, 140, 160, 180, and 250% state-of-charge (SOC). At 250% SOC the cell vented. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) of the anodes showed several state-of-overcharge-dependent trends. Starting at 120% SOC, dendrites appeared and increased in concentration as the SOC increased. Dendrite morphology appeared to be dependent on whether the active material was on the “dull” or “shiny” side of the copper collector. Significantly more delamination of the active material from the collector was seen on themore » “shiny” side of the collector particularly at 180 and 250% SOC. Transition metals were detected at 120% SOC and increased in concentration as the SOC increased. Finally, there was considerable spatial heterogeneity in the microstructures across each laminate with several regions displaying complex layered structures.« less

Development of an MgO-based binder for stabilizing fine sediments and storing CO2.

PubMed

Hwang, Kyung-Yup; Ahn, Jun-Young; Kim, Cheolyong; Seo, Jeong-Yun; Hwang, Inseong

2015-12-01

An MgO-based binder was developed that could stabilize fine dredged sediments for reuse and store CO2. Initially, a binder consisting of fly ash (FA) and blast furnace slag (BFS) was developed by using alkaline activators such as KOH, NaOH, and lime. The FA0.4-BFS0.6 binder (mixed at a FA-to-BFS weight ratio of 4:6) showed the highest compressive strength of 10.7 MPa among FA/BFS binders when 5 M KOH was used. When lime (L) was tested as an alkaline activator, the strength was comparable with those obtained when KOH or NaOH was used. The L0.1-(FA0.4BFS0.6)0.9 binder (10 % lime mixed with the FA/BFS binder) showed the highest strength of 11.0 MPa. Finally, by amending this L0.1-(FA0.4BFS0.6)0.9 binder with MgO, a novel MgO-based binder (MgO0.5-(L0.1-(FA0.4BFS0.6)0.9) 0.5) was developed, which demonstrated the 28th day strength of 11.9 MPa. The MgO-based binder was successfully applied to stabilize a fine sediment to yield a compressive strength of 4.78 MPa in 365 days, which was higher than that obtained by the Portland cement (PC) system (3.22 MPa). Carbon dioxide sequestration was evidenced by three observations: (1) the decrease in pH of the treated sediment from 12.2 to 11.0; (2) the progress of the carbonation front inward the treated sediment; and (3) the presence of magnesium carbonates. The thermogravimetric analysis (TGA) results showed that 67.2 kg of CO2 per ton of the treated sediment could be stored under the atmospheric condition during 1 year.

Investigating Deformation and Mesoscale Void Creation in HMX Based Composites using Tomography Based Grain Scale Finite Element Modeling

NASA Astrophysics Data System (ADS)

Walters, David J.; Luscher, Darby J.; Manner, Virginia; Yeager, John D.; Patterson, Brian M.

2017-06-01

The microstructure of plastic bonded explosives (PBXs) significantly affects their macroscale mechanical characteristics. Imaging and modeling of the mesoscale constituents allows for a detailed examination of the deformation of mechanically loaded PBXs. In this study, explosive composites, formulated with HMX crystals and various HTPB based polymer binders have been imaged using micro Computed Tomography (μCT). Cohesive parameters for simulation of the crystal/binder interface are determined by comparing numerical and experimental results of the delamination of a polymer bound bi-crystal system. Similarly, polycrystalline samples are discretized into a finite element mesh using the mesoscale geometry captured by in-situ μCT imaging. Experimentally, increasing the stiffness of the HTPB binder in the polycrystalline system resulted in a transition from ductile flow with little crystal/binder delamination to brittle behavior with increased void creation along the interfaces. Simulating the macroscale compression of these samples demonstrates the effects that the mesoscale geometry, cohesive properties, and binder stiffness have on the creation and distribution of interfacial voids. Understanding void nucleation is critical for modeling damage in these complex materials.

Robust activation method for negative electron affinity photocathodes

DOEpatents

Mulhollan, Gregory A [Dripping Springs, TX; Bierman, John C [Austin, TX

2011-09-13

A method by which photocathodes(201), single crystal, amorphous, or otherwise ordered, can be surface modified to a robust state of lowered and in best cases negative, electron affinity has been discovered. Conventional methods employ the use of Cs(203) and an oxidizing agent(207), typically carried by diatomic oxygen or by more complex molecules, for example nitrogen trifluoride, to achieve a lowered electron affinity(404). In the improved activation method, a second alkali, other than Cs(205), is introduced onto the surface during the activation process, either by co-deposition, yo-yo, or sporadic or intermittent application. Best effect for GaAs photocathodes has been found through the use of Li(402) as the second alkali, though nearly the same effect can be found by employing Na(406). Suitable photocathodes are those which are grown, cut from boules, implanted, rolled, deposited or otherwise fabricated in a fashion and shape desired for test or manufacture independently supported or atop a support structure or within a framework or otherwise affixed or suspended in the place and position required for use.

Is Electronegativity a Useful Descriptor for the "Pseudo-Alkali-Metal" NH4?

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

Whiteside, Alexander; Xantheas, Sotiris S.; Gutowski, Maciej S.

2011-11-18

Molecular ions in the form of "pseudo-atoms" are common structural motifs in chemistry, with properties that are transferrable between different compounds. We have determined the electronegativity of the "pseudo-alkali metal" ammonium (NH4) and evaluated its reliability as a descriptor in comparison to the electronegativities of the alkali metals. The computed properties of its binary complexes with astatine and of selected borohydrides confirm the similarity of NH4 to the alkali metal atoms, although the electronegativity of NH4 is relatively large in comparison to its cationic radius. We paid particular attention to the molecular properties of ammonium (angular anisotropy, geometric relaxation, andmore » reactivity), which can cause deviations from the behaviour expected of a conceptual "true alkali metal" with this electronegativity. These deviations allow for the discrimination of effects associated with the polyatomic nature of NH4.« less

Is electronegativity a useful descriptor for the pseudo-alkali metal NH4?

PubMed

Whiteside, Alexander; Xantheas, Sotiris S; Gutowski, Maciej

2011-11-18

Molecular ions in the form of "pseudo-atoms" are common structural motifs in chemistry, with properties that are transferrable between different compounds. We have determined one such property--the electronegativity--for the "pseudo-alkali metal" ammonium (NH(4)), and evaluated its reliability as a descriptor versus the electronegativities of the alkali metals. The computed properties of ammonium's binary complexes with astatine and of selected borohydrides confirm the similarity of NH(4) to the alkali metal atoms, although the electronegativity of NH(4) is relatively large in comparison to its cationic radius. We have paid particular attention to the molecular properties of ammonium (angular anisotropy, geometric relaxation and reactivity), which can cause deviations from the behaviour expected of a conceptual "true alkali metal" with this electronegativity. These deviations allow for the discrimination of effects associated with the molecular nature of NH(4). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aqueous Binder Enhanced High-Performance GeP5 Anode for Lithium-Ion Batteries

PubMed Central

He, Jun; Wei, Yaqing; Hu, Lintong; Li, Huiqiao; Zhai, Tianyou

2018-01-01

GeP5 is a recently reported new anode material for lithium ion batteries (LIBs), it holds a large theoretical capacity about 2300 mAh g−1, and a high rate capability due to its bi-active components and superior conductivity. However, it undergoes a large volume change during its electrochemical alloying and de-alloying with Li, a suitable binder is necessary to stable the electrode integrity for improving cycle performance. In this work, we tried to apply aqueous binders LiPAA and NaCMC to GeP5 anode, and compared the difference in electrochemical performance between them and traditional binder PVDF. As can be seen from the test result, GeP5 can keep stable in both common organic solvents and proton solvents such as water and alcohol solvents, it meets the application requirements of aqueous binders. The electrochemistry results show that the use of LiPAA binder can significantly improve the initial Coulombic efficiency, reversible capacity, and cyclability of GeP5 anode as compared to the electrodes based on NaCMC and PVDF binders. The enhanced electrochemical performance of GeP5 electrode with LiPAA binder can be ascribed to the unique high strength long chain polymer structure of LiPAA, which also provide numerous uniform distributed carboxyl groups to form strong ester groups with active materials and copper current collector. Benefit from that, the GeP5 electrode with LiPAA can also exhibit excellent rate capability, and even at low temperature, it still shows attractive electrochemical performance. PMID:29484292

Aqueous Binder Enhanced High-Performance GeP5 Anode for Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

He, Jun; Wei, Yaqing; Hu, Lintong; Li, Huiqiao; Zhai, Tianyou

2018-02-01

GeP5 is a recently reported new anode material for lithium ion batteries (LIBs), it holds a large theoretical capacity about 2300 mAh g-1, and a high rate capability due to its bi-active components and superior conductivity. However, it undergoes a large volume change during its electrochemical alloying and de-alloying with Li, a suitable binder is necessary to stable the electrode integrity for improving cycle performance. In this work, we tried to apply aqueous binders LiPAA and NaCMC to GeP5 anode, and compared the difference in electrochemical performance between them and traditional binder PVDF. As can be seen from the test result, GeP5 can keep stable in both common organic solvents and proton solvents such as water and alcohol solvents, it meets the application requirements of aqueous binders. The electrochemistry results show that the use of LiPAA binder can significantly improve the initial Coulombic efficiency, reversible capacity, and cyclability of GeP5 anode as compared to the electrodes based on NaCMC and PVDF binders. The enhanced electrochemical performance of GeP5 electrode with LiPAA binder can be ascribed to the unique high strength long chain polymer structure of LiPAA, which also provide numerous uniform distributed carboxyl groups to form strong ester groups with active meterials and copper current collector. Benefit from that, the GeP5 electrode with LiPAA can also exhibit excellent rate capability, and even at low temperature, it still shows attractive electrochemical performance.

Non-Sintered Nickel Electrode

DOEpatents

Bernard, Patrick; Dennig, Corinne; Cocciantelli, Jean-Michel; Alcorta, Jose; Coco, Isabelle

2002-01-01

A non-sintered nickel electrode contains a conductive support and a paste comprising an electrochemically active material containing nickel hydroxide and a binder which is a mixture of an elastomer and a crystalline polymer. The proportion of the elastomer is in the range 25% to 60% by weight of the binder and the proportion of the crystalline polymer is in the range 40% to 75% by weight of the binder.

"Leaching or not leaching": an alternative approach to antimicrobial materials via copolymers containing crown ethers as active groups.

PubMed

De Rosa, M; Vigliotta, G; Soriente, A; Capaccio, V; Gorrasi, G; Adami, R; Reverchon, E; Mella, M; Izzo, L

2017-03-28

In this work, new copolymers containing either MMA and 18C6 crown-ether pendants, or PEG, MMA and 18C6 crown-ether pendants were synthesized to test the idea that sequestering structural alkali-earth ions from the bacterial outer membrane (OM) may lead to bacterial death. The copolymers were obtained either via uncontrolled radical polymerization or ATRP; the latter approached allowed us to produce not only linear copolymers but also branched Y-like structures. After checking for the capability of complexing magnesium and calcium ions, the antimicrobial activity of all copolymers was tested placing their casted plaques in contact with pure water E. coli suspensions. All plaques adsorbed alkali-earth ions and killed bacteria, albeit with different antimicrobial efficiencies. Differences in the latter characteristic were attributed to different plaque roughness. The role of the 18C6 crown-ether pendants was elucidated by pre-saturating plaques with Mg/Ca ions, the marked reduction in antimicrobial efficiency indicating that losing the latter from OM due to surface complexation does play an important role in killing bacteria at short (<5 h) contact times. At longer times, the mode of action is instead related to the poly-cationic nature acquired by the plaques due to ion sequestering.

Performance characterizations of asphalt binders and mixtures incorporating silane additive ZycoTherm

NASA Astrophysics Data System (ADS)

Hasan, Mohd Rosli Mohd; Hamzah, Meor Othman; Yee, Teh Sek

2017-10-01

Experimental works were conducted to evaluate the properties of asphalt binders and mixtures produced using a relatively new silane additive, named ZycoTherm. In this study, 0.1wt% ZycoTherm was blended with asphalt binder to enable production of asphalt mixture at lower than normal temperatures, as well as improve mix workability and compactability. Asphalt mixture performances towards pavement distresses in tropical climate region were also investigated. The properties of control asphalt binders (60/70 and 80/10 penetration grade) and asphalt binders incorporating 0.1% ZycoTherm were reported based on the penetration, softening point, rotational viscosity, complex modulus and phase angle. Subsequently, to compare the performance of asphalt mixture incorporating ZycoTherm with the control asphalt mixture, cylindrical samples were prepared at recommended temperatures and air voids depending on the binder types and test requirements. The samples were tested for indirect tensile strength (ITS), resilient modulus, dynamic creep, Hamburg wheel tracking and moisture induced damage. From compaction data using the Servopak gyratory compactor, specimen prepared using ZycoTherm exhibit higher workability and compactability compared to the conventional mixture. From the mixture performance test results, mixtures prepared with ZycoTherm showed comparable if not better performance than the control sample in terms of the resistance to moisture damage, permanent deformation and cracking.

Investigating the effects of alkali metal Na addition on catalytic activity of HZSM-5 for methyl mercaptan elimination

NASA Astrophysics Data System (ADS)

Yu, Jie; He, Dedong; Chen, Dingkai; Liu, Jiangping; Lu, Jichang; Liu, Feng; Liu, Pan; Zhao, Yutong; Xu, Zhizhi; Luo, Yongming

2017-10-01

Na-modified HZSM-5 catalysts with different Na loading amounts were prepared by incipient-wetness impregnation method and their catalytic activities for methyl mercaptan catalytic elimination were analyzed. XRD, N2 adsorption-desorption, NH3-TPD, CO2-TPD and FT-IR measurements were carried out to investigate the effects of modification of alkali metal Na on the physicochemical properties of the HZSM-5 zeolite catalyst. Research results illustrated that the introduction of alkali metal Na can improve catalytic activity for CH3SH catalytic elimination. CH3SH can be almost completely converted over 3%-Na/HZSM-5 at 450 °C compared to pure HZSM-5 at 600 °C based on our experimental results and the results from previous research. The improved catalytic activity could be attributed to the regulated acid-base properties of the HZSM-5 catalysts by doping with alkali metal Na. High alkali concentration treatment, however, may destroy the framework structure of the catalyst sample, thus causing the poor stability performance of the obtained catalyst.

Adherence rates to ferric citrate as compared to active control in patients with end stage kidney disease on dialysis.

PubMed

Jalal, Diana; McFadden, Molly; Dwyer, Jamie P; Umanath, Kausik; Aguilar, Erwin; Yagil, Yoram; Greco, Barbara; Sika, Mohammed; Lewis, Julia B; Greene, Tom; Goral, Simin

2017-04-01

Oral phosphate binders are the main stay of treatment of hyperphosphatemia. Adherence rates to ferric citrate, a recently approved phosphate binder, are unknown. We conducted a post-hoc analysis to evaluate whether adherence rates were different for ferric citrate vs. active control in 412 subjects with end stage kidney disease (ESKD) who were randomized to ferric citrate vs. active control (sevelamer carbonate and/or calcium acetate). Adherence was defined as percent of actual number of pills taken to total number of pills prescribed. There were no significant differences in baseline characteristics including gender, race/ethnicity, and age between the ferric citrate and active control groups. Baseline phosphorus, calcium, and parathyroid hormone levels were similar. Mean (SD) adherence was 81.4% (17.4) and 81.7% (15.9) in the ferric citrate and active control groups, respectively (P = 0.88). Adherence remained similar between both groups after adjusting for gender, race/ethnicity, age, cardiovascular disease (CVD), and diabetic nephropathy (mean [95% CI]: 81.4% [78.2, 84.6] and 81.5% [77.7, 85.2] for ferric citrate and active control, respectively). Gender, race/ethnicity, age, and diagnosis of diabetic nephropathy did not influence adherence to the prescribed phosphate binder. Subjects with CVD had lower adherence rates to phosphate binder; this was significant only in the active control group. Adherence rates to the phosphate binder, ferric citrate, were similar to adherence rates to active control. Similar adherence rates to ferric citrate are notable since tolerance to active control was an entry criteria and the study was open label. Gender, race/ethnicity, nor age influenced adherence. © 2016 International Society for Hemodialysis.

Binder-induced surface structure evolution effects on Li-ion battery performance

NASA Astrophysics Data System (ADS)

Rezvani, S. J.; Pasqualini, M.; Witkowska, A.; Gunnella, R.; Birrozzi, A.; Minicucci, M.; Rajantie, H.; Copley, M.; Nobili, F.; Di Cicco, A.

2018-03-01

A comparative investigation on binder induced chemical and morphological evolution of Li4Ti5O12 electrodes was performed via X-ray photoemission spectroscopy, scanning electron microscopy, and electrochemical measurements. Composite electrodes were obtained using three different binders (PAA, PVdF, and CMC) with 80:10:10 ratio of active material:carbon:binder. The electrochemical performances of the electrodes, were found to be intimately correlated with the evolution of the microstructure of the electrodes, probed by XPS and SEM analysis. Our analysis shows that the surface chemistry, thickness of the passivation layers and the morphology of the electrodes are strongly dependent on the type of binders that significantly influence the electrochemical properties of the electrodes. These results point to a key role played by binders in optimization of the battery performance and improve our understanding of the previously observed and unexplained electrochemical properties of these electrodes.

Immobilization of indigenous holocellulase on iron oxide (Fe2O3) nanoparticles enhanced hydrolysis of alkali pretreated paddy straw.

PubMed

Kumar, Ajay; Singh, Surender; Tiwari, Rameshwar; Goel, Renu; Nain, Lata

2017-03-01

The holocellulase from Aspergillus niger SH3 was characterized and found to contain 125 proteins including cellulases (26), hemicellulases (21), chitinases (10), esterases (6), amylases (4) and hypothetical protein (32). The crude enzyme was immobilized on five different nanoparticles (NPs) via physical adsorption and covalent coupling methods. The enzyme-nanoparticle complexes (ENC) were screened for protein binding, enzymatic activities and immobilization efficiency. Magnetic enzyme-nanoparticle complexes (MENC) showed higher immobilization efficiency (60-80%) for most of the enzymes. MENC also showed better catalytic efficiencies in term of higher V max and lower K m than free enzyme. Saccharification yields from alkali treated paddy straw were higher (375.39mg/gds) for covalently immobilized MENC than free enzyme (339.99mg/gds). The immobilized enzyme was used for two cycles of saccharification with 55% enzyme recovery. Hence, this study for the first time demonstrated the immobilization of indigenous enzyme and its utilization for saccharification of paddy straw. Copyright © 2016 Elsevier B.V. All rights reserved.

Mechanically activated fly ash as a high performance binder for civil engineering

NASA Astrophysics Data System (ADS)

Rieger, D.; Kullová, L.; Čekalová, M.; Novotný, P.; Pola, M.

2017-01-01

This study is aimed for investigation of fly ash binder with suitable properties for civil engineering needs. The fly ash from Czech brown coal power plant Prunerov II was used and mechanically activated to achieve suitable particle size for alkaline activation of hardening process. This process is driven by dissolution of aluminosilicate content of fly ash and by subsequent development of inorganic polymeric network called geopolymer. Hardening kinetics at 25 and 30 °C were measured by strain controlled small amplitude oscillatory rheometry with strain of 0.01 % and microstructure of hardened binder was evaluated by scanning electron microscopy. Strength development of hardened binder was investigated according to compressional and flexural strength for a period of 180 days. Our investigation finds out, that mechanically activated fly ash can be comparable to metakaolin geopolymers, according to setting time and mechanical parameters even at room temperature curing. Moreover, on the bases of long time strength development, achieved compressional strength of 134.5 after 180 days is comparable to performance of high grade Portland cement concretes.

Targeting Anti-Cancer Active Compounds: Affinity-Based Chromatographic Assays

PubMed Central

de Moraes, Marcela Cristina; Cardoso, Carmen Lucia; Seidl, Claudia; Moaddel, Ruin; Cass, Quezia Bezerra

2016-01-01

Affinity-based chromatography assays encompass the use of solid supports containing immobilized biological targets to monitor binding events in the isolation , identification and/or characterization of bioactive compounds. This powerful bioanalytical technique allows the screening of potential binders through fast analyses that can be directly performed using isolated substances or complex matrices. An overview of the recent researches in frontal and zonal affinity-based chromatography screening assays, which has been used as a tool in the identification and characterization of new anti-cancer agents, is discussed. In addition, a critical evaluation of the recently emerged ligands fishing assays in complex mixtures is also discussed. PMID:27306095

Ocular alkali burn associated with automobile air-bag activation.

PubMed Central

White, J E; McClafferty, K; Orton, R B; Tokarewicz, A C; Nowak, E S

1995-01-01

Alkali burns of the eye can result in permanent visual impairment and are therefore potentially devastating. Immedicate diagnosis and treatment are essential to a good prognosis. The authors report the case of a 52-year-old woman who suffered alkali keratitis as the result of the activation of an automobile air bag. This type of injury will be seen more frequently as more cars are equipped with air bags and should be suspected in drivers and passengers involved in accidents in which air bags have been activated. PMID:7553495

Utilisation of Sand from Kaolin Washing for the Manufacture of Alkali-activated Artificial Sandstone

NASA Astrophysics Data System (ADS)

Vavro, Martin; Vavro, Leona; Mec, Pavel; Soucek, Kamil; Pticen, Frantisek; Reiterman, Pavel

2017-04-01

Sandstones represent a traditional natural stones which are widely used in Czech architecture and sculpture over a long time. Thanks to their relatively easy workability, sandstones provide a wide range of stone products and also represent a popular material for architectural and sculptural purposes. In the field of restoration of artworks, they are therefore often used for manufacturing stone statue copies originally made from the same or similar type of stone. Despite a relatively common and varied occurrence of natural sandstones, the method of the artificial stone facsimiles creation in the form of various cast elements is also often applied in restoration practice. The history of application of artificial stones in civil engineering and architecture goes back to the ancient times, i.e. to Roman antiquity and possibly up to the time of ancient Egypt. The lack of appropriate natural rock, suitable in the view of colour, grain size or texture is the main reason of manufacturing copies based on synthetic mixtures. The other reason is high financial costs to create a sculpture copy from natural materials. Mixtures made from white and/or grey cements, sands, carefully selected crushed stone or well graded natural gravels, and mineral coloring pigments or mixtures with acrylate, polyester, and epoxy resins binder are the most frequently used artificial materials for cast stone manufacturing. This paper aims to bring information about composition and properties of artificial sandstones made from alkali-activated binder mixtures based on metakaolin and granulated blast furnace slag. The filler of this artificial stone is represented by fine-grained sand generated during kaolin wet processing. Used sand is mainly formed by quartz, feldspars, micas (muscovite > biotite), residual kaolin, and to a lesser extent also by Fe oxyhydroxides ("limonite"), titanium dioxide mineral (probably anatase), and carbonate mineral unidentified in detail. Annual Czech production of this sand from kaolin-washing process is of several hundred thousand tonnes and it thus represent so far a relatively rarely used natural building material which is currently usually deposited in worked-out areas of kaolin quarries. One of the main reasons of very difficult usability of this sands in building material industry is their behavior when exposed to the weather. In only a very short time of exposure in outdoor condition they may change in colour from greyish white to yellow-brown or golden yellow. This colour change is accompanied by significant decrease of pH values of sand leachate up to pH ranging between 3.5 and 5.5, in extreme cases even up to 2.0. Despite these extreme chemical properties of sands under study, the artificial sandstone, very similar in the physical and mechanical properties to natural ones, was successfully prepared in the laboratory. Due to the mineralogical composition of applied sands (i.e. the presence not only of quartz, but also of feldspar and muscovite), the artificial sandstone is characterized by relatively true natural appearance.

Synthesis of potent G-quadruplex binders of macrocyclic heptaoxazole and evaluation of their activities.

PubMed

Tera, Masayuki; Iida, Keisuke; Shin-ya, Kazuo; Nagasawa, Kazuo

2009-01-01

Guanine-rich DNA sequences form unique three-dimensional conformation known as G-quadruplexes (G-q). G-q structures have been found in telomere and in some oncogene promoter. Recently, it was suggested that G-q showed some biological activities including telomere shortening and transcriptional regulation. In this paper, we synthesized selective G-q binders and evaluated of their biological activities.

Self-Protection Mechanism of Hexagonal WO3-Based DeNOx Catalysts against Alkali Poisoning.

PubMed

Zheng, Li; Zhou, Meijuan; Huang, Zhiwei; Chen, Yaxin; Gao, Jiayi; Ma, Zhen; Chen, Jianmin; Tang, Xingfu

2016-11-01

A good catalyst for efficiently controlling NO x emissions often demands strong resistance against alkali poisoning. Although the traditional ion-exchange model, based on acid-base reactions of alkalis with Brønsted acid sites, has been established over the past two decades, it is difficult to be used as a guideline to develop such an alkali-resistant catalyst. Here we establish a self-protection mechanism of deNO x catalysts against alkali poisoning by systematically studying the intrinsic nature of alkali resistance of V 2 O 5 /HWO (HWO = hexagonal WO 3 ) that shows excellent resistance to alkali poisoning in selective catalytic reduction of NO x with NH 3 (SCR). Synchrotron X-ray diffraction and absorption spectroscopies demonstrate that V 2 O 5 /HWO has spatially separated catalytically active sites (CASs) and alkali-trapping sites (ATSs). During the SCR process, ATSs spontaneously trap alkali ions such as K + , even if alkali ions initially block CASs, thus releasing CASs to realize the self-protection against alkali poisoning. X-ray photoelectron spectra coupled with theoretical calculations indicate that the electronic interaction between the alkali ions and ATSs with an energy saving is the driving force of the self-protection. This work provides a strategy to design alkali-resistant deNO x catalysts.

Mineralization dynamics of metakaolin-based alkali-activated cements

USGS Publications Warehouse

Gevaudan, Juan Pablo; Campbell, Kate M.; Kane, Tyler; Shoemaker, Richard K.; Srubar, Wil V.

2017-01-01

This paper investigates the early-age dynamics of mineral formation in metakaolin-based alkali-activated cements. The effects of silica availability and alkali content on mineral formation were investigated via X-ray diffraction and solid-state 29Si magic-angle spinning nuclear magnetic resonance spectroscopy at 2, 7, 14, and 28 days. Silica availability was controlled by using either liquid- (immediate) or solid-based (gradual) sodium silicate supplements. Mineral (zeolitic) and amorphous microstructural characteristics were correlated with observed changes in bulk physical properties, namely shrinkage, density, and porosity. Results demonstrate that, while alkali content controls the mineralization in immediately available silica systems, alkali content controls the silica availability in gradually available silica systems. Immediate silica availability generally leads to a more favorable mineral formation as demonstrated by correlated improvements in bulk physical properties.

Catalytically active Au-O(OH) x- species stabilized by alkali ions on zeolites and mesoporous oxides

DOE PAGES

Yang, Ming; Li, Sha; Wang, Yuan; ...

2014-11-27

Here we report that the addition of alkali ions (sodium or potassium) to gold on KLTL-zeolite and mesoporous MCM-41 silica stabilizes mononuclear gold in Au-O(OH) x-(Na or K) ensembles. This single-site gold species is active for the low-temperature (<200°C) water-gas shift (WGS) reaction. Unexpectedly, gold is thus similar to platinum in creating –O linkages with more than eight alkali ions and establishing an active site on various supports. The intrinsic activity of the single-site gold species is the same on irreducible supports as on reducible ceria, iron oxide, and titania supports, apparently all sharing a common, similarly structured gold activemore » site. This finding paves the way for using earth-abundant supports to disperse and stabilize precious metal atoms with alkali additives for the WGS and potentially other fuel-processing reactions.« less

Pd-Pt loaded graphene aerogel on nickel foam composite as binder-free anode for a direct glucose fuel cell unit

NASA Astrophysics Data System (ADS)

Tsang, Chi Him A.; Leung, D. Y. C.

2017-09-01

Fabrication of electrocatalyst for direct glucose fuel cell (DGFC) operation involves destructive preparation methods with the use of stabilizer like binder, which may cause activity depreciation. Binder-free electrocatalytic electrode becomes a possible solution to the above problem. Binder-free bimetallic Pd-Pt loaded graphene aerogel on nickel foam plates with different Pd/Pt ratios (1:2.32, 1:1.62, and 1:0.98) are successfully fabricated through a green one-step mild reduction process producing a Pd-Pt/GO/nickel form plate (NFP) composite. Anode with the binder-free electrocatalysts exhibit a strong activity in a batch type DGFC unit under room temperature. The effects of glucose and KOH concentrations, and the Pd/Pt ratios of the electrocatalyst on the DGFC performance are also studied. Maximum power density output of 1.25 mW cm-2 is recorded with 0.5 M glucose/3 M KOH as the anodic fuel, and Pd1Pt0.98/GA/NFP as catalyst, which is the highest obtained so far among other types of electrocatalyst.

Usage of Crushed Concrete Fines in Decorative Concrete

NASA Astrophysics Data System (ADS)

Pilipenko, Anton; Bazhenova, Sofia

2017-10-01

The article is devoted to the questions of usage of crushed concrete fines from concrete scrap for the production of high-quality decorative composite materials based on mixed binder. The main problem in the application of crushed concrete in the manufacture of decorative concrete products is extremely low decorative properties of crushed concrete fines itself, as well as concrete products based on them. However, crushed concrete fines could have a positive impact on the structure of the concrete matrix and could improve the environmental and economic characteristics of the concrete products. Dust fraction of crushed concrete fines contains non-hydrated cement grains, which can be opened in screening process due to the low strength of the contact zone between the hydrated and non-hydrated cement. In addition, the screening process could increase activity of the crushed concrete fines, so it can be used as a fine aggregate and filler for concrete mixes. Previous studies have shown that the effect of the usage of the crushed concrete fines is small and does not allow to obtain concrete products with high strength. However, it is possible to improve the efficiency of the crushed concrete fines as a filler due to the complex of measures prior to mixing. Such measures may include a preliminary mechanochemical activation of the binder (cement binder, iron oxide pigment, silica fume and crushed concrete fines), as well as the usage of polycarboxylate superplasticizers. The development of specific surface area of activated crushed concrete fines ensures strong adhesion between grains of binder and filler during the formation of cement stone matrix. The particle size distribution of the crushed concrete fines could achieve the densest structure of cement stone matrix and improve its resistance to environmental effects. The authors examined the mechanisms of structure of concrete products with crushed concrete fines as a filler. The results of studies of the properties of the crushed concrete fines were provided. It is shown that the admixture of the crushed concrete fines has little effect on the colour characteristics of the decorative concrete products. The preferred options to improve the surfaces of decorative concrete are also proposed.

Thermal history effects on electrical relaxation and conductivity for potassium silicate glass with low alkali concentrations

NASA Technical Reports Server (NTRS)

Angel, Paul W.; Hann, Raiford E.; Cooper, Alfred R.

1993-01-01

Electrical response measurements from 10 Hz to 100 kHz between 120 and 540 C were made on potassium-silicate glasses with alkali oxide contents of 2, 3, 5 and 10 mol percent. Low alkali content glasses were chosen in order to try to reduce the Coulombic interactions between alkali ions to the point that frozen structural effects from the glass could be observed. Conductivity and electrical relaxation responses for both annealed and quenched glasses of the same composition were compared. Lower DC conductivity (sigma(sub DC)) activation energies were measured for the quenched compared to the annealed glasses. The two glasses with the lowest alkali contents exhibited a non-Arrhenius concave up curvature in the log(sigma(sub DC)) against 1/T plots, which decreased upon quenching. A sharp decrease in sigma(sub DC) was observed for glasses containing K2O concentrations of 5 mol percent or less. The log modulus loss peak (M'') maximum frequency plots against 1/T all showed Arrhenius behavior for both annealed and quenched samples. The activation energies for these plots closely agreed with the sigma(sub DC) activation energies. A sharp increase in activation energy was observed for both series as the potassium oxide concentration decreased. Changes in the electrical response are attributed to structural effects due to different alkali concentrations. Differences between the annealed and quenched response are linked to a change in the distribution of activation energies (DAE).

In situ formation of coal gasification catalysts from low cost alkali metal salts

DOEpatents

Wood, Bernard J.; Brittain, Robert D.; Sancier, Kenneth M.

1985-01-01

A carbonaceous material, such as crushed coal, is admixed or impregnated with an inexpensive alkali metal compound, such as sodium chloride, and then pretreated with a stream containing steam at a temperature of 350.degree. to 650.degree. C. to enhance the catalytic activity of the mixture in a subsequent gasification of the mixture. The treatment may result in the transformation of the alkali metal compound into another, more catalytically active, form.

Reactions of salts of hexakis(pyridine N-oxide)M(II) complexes (M = Co, Ni, Zn) and alkali halides used in infrared spectroscopy

NASA Astrophysics Data System (ADS)

Padmos, J.; van Veen, A.

A number of salts of hexakis(pyridine N-oxide)zinc(II) complexes decompose in alkali halide pellets. Initially ion exchange occurs, often followed by the formation of Zn(pyno) 3X 2 (pyno = pyridine N-oxide; X = Br, Cl). The analogous cobalt and nickel compounds are nearly always stable. A mull between alkali halide plates gives greater amounts of the same product Washing this product with toluene gives Zn(pyno) 2X 2. Examples of i.r. and far i.r. spectra are given. Energetical and structural effects are discussed. Far i.r. spectra of M(pyno) 3X 2(M = Co, Zn) confirm the structure [M(pyno) 6][MX 4] for these compounds. New compounds are [Zn(pyno) 2(NO 3) 2], [Zn(pyno- d5) 2[NO 3) 2], [Zn(pyno- d5) 6](NO 3) 2 and [Zn(pyno) 6]I 2.

ON THE RELATIVE STABILITY OF ALUMINUM, TITANIUM, VANADIUM, IRON, AND COPPER TARTRATE COMPLEXES IN ALKALI MEDIA (in Russian)

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

Pyatnitskii, I.V.; Kostyshina, A.P.

1959-06-01

The stability of aluminum, copper, iron, titunium, and vanadium tartrate complexes was determined using bond magnitudes as criteria (the ratio between the concentrations of complexed and free ions at a certain standard acid condition). A method is suggested for determining the ratio of the bonds combining the complexes of two metals. The partition constaats of aluminum, copper, iron(III), and vanadium hydroxyquinolinates between the aqueous solution and chloroform were 2.6 x 10/sup -33/, 7.3 x 10/sup -23/, 1.5 x 10/sup -37/, and 4.2 x 10/sup -23/, respectively. The relative stability of copper and iron turtrate complexes in alkali solution (pH 13)more » and aluminum, iron(III), titunium, and vanadium(IV) tartrate complexes in ammonium solution (pH 9.5) was determined. (R.V.J.)« less

Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

DOEpatents

Doeff, Marca M.; Peng, Marcus Y.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard C.

1996-01-01

An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M.sub.x Z.sub.y Mn.sub.(1-y) O.sub.2, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell.

Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

DOEpatents

Doeff, M.M.; Peng, M.Y.; Ma, Y.; Visco, S.J.; DeJonghe, L.C.

1996-09-24

An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M{sub x}Z{sub y}Mn{sub (1{minus}y)}O{sub 2}, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell. 11 figs.

Alkali-Activated Aluminium-Silicate Composites as Insulation Materials for Industrial Application

NASA Astrophysics Data System (ADS)

Dembovska, L.; Bajare, D.; Pundiene, I.; Bumanis, G.

2015-11-01

The article reports on the study of thermal stability of alkali-activated aluminium- silicate composites (ASC) at temperature 800-1100°C. ASC were prepared by using calcined kaolinite clay, aluminium scrap recycling waste, lead-silicate glass waste and quartz sand. As alkali activator, commercial sodium silicate solution modified with an addition of sodium hydroxide was used. The obtained alkali activation solution had silica modulus Ms=1.67. Components of aluminium scrap recycling waste (aluminium nitride (AlN) and iron sulphite (FeSO3)) react in the alkali media and create gases - ammonia and sulphur dioxide, which provide the porous structure of the material [1]. Changes in the chemical composition of ASC during heating were identified and quantitatively analysed by using DTA/TG, dimension changes during the heating process were determined by using HTOM, pore microstructure was examined by SEM, and mineralogical composition of ASC was determined by XRD. The density of ASC was measured in accordance with EN 1097-7. ASC with density around 560 kg/m3 and heat resistance up to 1100°C with shrinkage less than 5% were obtained. The intended use of this material is the application as an insulation material for industrial purposes at elevated temperatures.

Identification of Proteinaceous Binders in Ancient Tripitaka by the Use of an Enzyme-linked Immunosorbent Assay.

PubMed

Liu, Yi; Li, Yi; Chang, Runxing; Zheng, Hailing; Li, Menglu; Hu, Zhiwen; Zhou, Yang; Wang, Bing

2016-01-01

Proteinaceous materials, such as ovabumin and collagen, were commonly used as binding media, and as adhesives and protective coatings. However, the identification of ancient proteinaceous binders is a great challenge for archaeologists, due to their limited sample size, complex combinations of various ingredients and reduced availability of the binder during the process of protein degradation. In this paper, an enzyme-linked immunosorbent assay (ELISA) provides to be a particularly promising method for the detection of proteinaceous binding materials in ancient relics. The present work focused on the specific identification of proteins in archaeological binders, which was brushed on the Tripitaka. Two samples, the adhesion area (S1) and the ink area (S2), were tested by ELISA. The results showed that both S1 and S2 reacted positively when treated with an anti-collagen-I antibody. It proved the existence of proteinaceous binders in Ancient Tripitaka, and the percentage of collagen in S1 and S2 was 61.44 and 15.4%, respectively. Compared with other conventional techniques, ELISA has advantages of high specificity, sensitivity, rapidity and low cost, making it especially suitable for the protein detection in the archaeological field.

Data on the densification during sintering of binder jet printed samples made from water- and gas-atomized alloy 625 powders.

PubMed

Mostafaei, Amir; Hughes, Eamonn T; Hilla, Colleen; Stevens, Erica L; Chmielus, Markus

2017-02-01

Binder jet printing (BJP) is a metal additive manufacturing method that manufactures parts with complex geometry by depositing powder layer-by-layer, selectively joining particles in each layer with a polymeric binder and finally curing the binder. After the printing process, the parts still in the powder bed must be sintered to achieve full densification (A. Mostafaei, Y. Behnamian, Y.L. Krimer, E.L. Stevens, J.L. Luo, M. Chmielus, 2016; A. Mostafaei, E. Stevens, E. Hughes, S. Biery, C. Hilla, M. Chmielus, 2016; A. Mostafaei, Y. Behnamian, Y.L. Krimer, E.L. Stevens, J.L. Luo, M. Chmielus, 2016) [1-3]. The collected data presents the characterization of the as-received gas- and water-atomized alloy 625 powders, BJP processing parameters and density of the sintered samples. The effect of sintering temperatures on the microstructure and the relative density of binder jet printed parts made from differently atomized nickel-based superalloy 625 powders are briefly compared in this paper. Detailed data can be found in the original published papers by authors in (A. Mostafaei, J. Toman, E.L. Stevens, E.T. Hughes, Y.L. Krimer, M. Chmielus, 2017) [4].

Thermal properties of alkali-activated aluminosilicates

NASA Astrophysics Data System (ADS)

Florian, Pavel; Valentova, Katerina; Fiala, Lukas; Zmeskal, Oldrich

2017-07-01

The paper is focused on measurements and evaluation of thermal properties of alkali-activated aluminosilicates (AAA) with various carbon admixtures. Such composites consisting of blast-furnace slag, quartz sand, water glass as alkali activator and small amount of electrically conductive carbon admixture exhibit better electric and thermal properties than the reference material. Such enhancement opens up new practical applications, such as designing of snow-melting, de-icing or self-sensing systems that do not need any external sensors to detect current condition of building material. Thermal properties of the studied materials were measured by the step-wise transient method and mutually compared.

Carbon dioxide capture process with regenerable sorbents

DOEpatents

Pennline, Henry W.; Hoffman, James S.

2002-05-14

A process to remove carbon dioxide from a gas stream using a cross-flow, or a moving-bed reactor. In the reactor the gas contacts an active material that is an alkali-metal compound, such as an alkali-metal carbonate, alkali-metal oxide, or alkali-metal hydroxide; or in the alternative, an alkaline-earth metal compound, such as an alkaline-earth metal carbonate, alkaline-earth metal oxide, or alkaline-earth metal hydroxide. The active material can be used by itself or supported on a substrate of carbon, alumina, silica, titania or aluminosilicate. When the active material is an alkali-metal compound, the carbon-dioxide reacts with the metal compound to generate bicarbonate. When the active material is an alkaline-earth metal, the carbon dioxide reacts with the metal compound to generate carbonate. Spent sorbent containing the bicarbonate or carbonate is moved to a second reactor where it is heated or treated with a reducing agent such as, natural gas, methane, carbon monoxide hydrogen, or a synthesis gas comprising of a combination of carbon monoxide and hydrogen. The heat or reducing agent releases carbon dioxide gas and regenerates the active material for use as the sorbent material in the first reactor. New sorbent may be added to the regenerated sorbent prior to subsequent passes in the carbon dioxide removal reactor.

Alkali metal ionization detector

DOEpatents

Bauerle, James E.; Reed, William H.; Berkey, Edgar

1978-01-01

Variations in the conventional filament and collector electrodes of an alkali metal ionization detector, including the substitution of helical electrode configurations for either the conventional wire filament or flat plate collector; or, the substitution of a plurality of discrete filament electrodes providing an in situ capability for transferring from an operationally defective filament electrode to a previously unused filament electrode without removing the alkali metal ionization detector from the monitored environment. In particular, the helical collector arrangement which is coaxially disposed about the filament electrode, i.e. the thermal ionizer, provides an improved collection of positive ions developed by the filament electrode. The helical filament design, on the other hand, provides the advantage of an increased surface area for ionization of alkali metal-bearing species in a monitored gas environment as well as providing a relatively strong electric field for collecting the ions at the collector electrode about which the helical filament electrode is coaxially positioned. Alternatively, both the filament and collector electrodes can be helical. Furthermore, the operation of the conventional alkali metal ionization detector as a leak detector can be simplified as to cost and complexity, by operating the detector at a reduced collector potential while maintaining the sensitivity of the alkali metal ionization detector adequate for the relatively low concentration of alkali vapor and aerosol typically encountered in leak detection applications.

Experimental study of the maximum resolution and packing density achievable in sintered and non-sintered binder-jet 3D printed steel microchannels

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

Elliott, Amy M; Mehdizadeh Momen, Ayyoub; Benedict, Michael

2015-01-01

Developing high resolution 3D printed metallic microchannels is a challenge especially when there is an essential need for high packing density of the primary material. While high packing density could be achieved by heating the structure to the sintering temperature, some heat sensitive applications require other strategies to improve the packing density of primary materials. In this study the goal is to develop high green or pack densities microchannels on the scale of 2-300 microns which have a robust mechanical structure. Binder-jet 3D printing is an additive manufacturing process in which droplets of binder are deposited via inkjet into amore » bed of powder. By repeatedly spreading thin layers of powder and depositing binder into the appropriate 2D profiles, complex 3D objects can be created one layer at time. Microchannels with features on the order of 500 microns were fabricated via binder jetting of steel powder and then sintered and/or infiltrated with a secondary material. The average particle size of the steel powder was varied along with the droplet volume of the inkjet-deposited binder. The resolution of the process, packing density of the primary material, the subsequent features sizes of the microchannels, and the overall microchannel quality were characterized as a function of particle size distribution, droplet sizes and heat treatment temperatures.« less

Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease

PubMed Central

2015-01-01

Molecular docking is a powerful tool used in drug discovery and structural biology for predicting the structures of ligand–receptor complexes. However, the accuracy of docking calculations can be limited by factors such as the neglect of protein reorganization in the scoring function; as a result, ligand screening can produce a high rate of false positive hits. Although absolute binding free energy methods still have difficulty in accurately rank-ordering binders, we believe that they can be fruitfully employed to distinguish binders from nonbinders and reduce the false positive rate. Here we study a set of ligands that dock favorably to a newly discovered, potentially allosteric site on the flap of HIV-1 protease. Fragment binding to this site stabilizes a closed form of protease, which could be exploited for the design of allosteric inhibitors. Twenty-three top-ranked protein–ligand complexes from AutoDock were subject to the free energy screening using two methods, the recently developed binding energy analysis method (BEDAM) and the standard double decoupling method (DDM). Free energy calculations correctly identified most of the false positives (≥83%) and recovered all the confirmed binders. The results show a gap averaging ≥3.7 kcal/mol, separating the binders and the false positives. We present a formula that decomposes the binding free energy into contributions from the receptor conformational macrostates, which provides insights into the roles of different binding modes. Our binding free energy component analysis further suggests that improving the treatment for the desolvation penalty associated with the unfulfilled polar groups could reduce the rate of false positive hits in docking. The current study demonstrates that the combination of docking with free energy methods can be very useful for more accurate ligand screening against valuable drug targets. PMID:25189630

Remarkable Effect of Sodium Alginate Aqueous Binder on Anatase TiO2 as High-Performance Anode in Sodium Ion Batteries.

PubMed

Ling, Liming; Bai, Ying; Wang, Zhaohua; Ni, Qiao; Chen, Guanghai; Zhou, Zhiming; Wu, Chuan

2018-02-14

Sodium alginate (SA) is investigated as the aqueous binder to fabricate high-performance, low-cost, environmentally friendly, and durable TiO 2 anodes in sodium-ion batteries (SIBs) for the first time. Compared to the conventional polyvinylidene difluoride (PVDF) binder, electrodes using SA as the binder exhibit significant promotion of electrochemical performances. The initial Coulombic efficiency is as high as 62% at 0.1 C. A remarkable capacity of 180 mAh g -1 is achieved with no decay after 500 cycles at 1 C. Even at 10 C (3.4 A g -1 ), it remains 82 mAh g -1 after 3600 cycles with approximate 100% Coulombic efficiency. TiO 2 electrodes with SA binder display less electrolyte decomposition, fewer side reactions, high electrochemistry reaction activity, effective suppression of polarization, and good electrode morphology, which is ascribed to the rich carboxylic groups, high Young's modulus, and good electrochemical stability of SA binder.

Laser-assisted manufacturing of super-insulation materials

NASA Astrophysics Data System (ADS)

Wang, Zhen; Zhang, Tao; Park, Byung Kyu; Lee, Woo Il; Hwang, David

2017-02-01

Being lightweight materials with good mechanical and thermal properties, hollow glass micro-particles (HGMPs) have been widely studied for multiple applications. In this study, it is shown that by using reduced binder fraction diluted in solvent, enables minimal contacts among the HGMPs assisted by a natural capillary trend, as confirmed by optical and electron microscope imaging. Such material architecture fabricated in a composite level proves to have enhanced thermal insulation performance through quantitative thermal conductivity measurement. Mechanical strength has also been evaluated in terms of particle-binder bonding by tensile test via in-situ microscope inspection. Effect of laser treatment was examined for further improvement of thermal and mechanical properties by selective binder removal and efficient redistribution of remaining binder components. The fabricated composite materials have potential applications to building insulation materials for their scalable manufacturing nature, improved thermal insulation performance and reasonable mechanical strength. Further studies are needed to understand mechanical and thermal properties of the resulting composites, and key fabrication mechanisms involved with laser treatment of complex multi-component and multi-phase systems.

A comprehensive study of the complexation of alkali metal cations by lower rim calix[4]arene amide derivatives.

PubMed

Horvat, Gordan; Frkanec, Leo; Cindro, Nikola; Tomišić, Vladislav

2017-09-13

The complexation of alkali metal cations by lower rim N,N-dihexylacetamide (L1) and newly synthesized N-hexyl-N-methylacetamide (L2) calix[4]arene tertiary-amide derivatives was thoroughly studied at 25 °C in acetonitrile (MeCN), benzonitrile (PhCN), and methanol (MeOH) by means of direct and competitive microcalorimetric titrations, and UV and 1 H NMR spectroscopies. In addition, by measuring the ligands' solubilities, the solution (transfer) Gibbs energies of the ligands and their alkali metal complexes were obtained. The inclusion of solvent molecules in the free and complexed calixarene hydrophobic cavities was also investigated. Computational (classical molecular dynamics) investigations of the studied systems were also carried out. The obtained results were compared with those previously obtained by studying the complexation ability of an N-hexylacetamidecalix[4]arene secondary-amide derivative (L3). The stability constants of 1 : 1 complexes were determined in all solvents used (the values obtained by different methods being in excellent agreement), as were the corresponding complexation enthalpies and entropies. Almost all of the examined reactions were enthalpically controlled. The most striking exceptions were reactions of Li + with both ligands in methanol, for which the entropic contribution to the reaction Gibbs energy was substantial due the entropically favourable desolvation of the smallest lithium cation. The thermodynamic stabilities of the complexes were quite solvent dependent (the stability decreased in the solvent order: MeCN > PhCN ≫ MeOH), which could be accounted for by considering the differences in the solvation of the ligand and free and complexed alkali metal cations in the solvents used. Comparison of the stability constants of the ligand L1 and L2 complexes clearly revealed that the higher electron-donating ability of the hexyl with respect to the methyl group is of considerable importance in determining the equilibria of the complexation reactions. Additionally, the quite strong influence of intramolecular hydrogen bond formation in compound L3 (not present in ligands L1 and L2) and that of the inclusion of solvent molecules in the calixarene hydrophobic cone were shown to be of great importance in determining the thermodynamic stability of the calixarene-cation complexes. The experimental results were fully supported by those obtained by MD simulations.

Ionic conductivity of β-cyclodextrin-polyethylene-oxide/alkali-metal-salt complex.

PubMed

Yang, Ling-Yun; Fu, Xiao-Bin; Chen, Tai-Qiang; Pan, Li-Kun; Ji, Peng; Yao, Ye-Feng; Chen, Qun

2015-04-20

Highly conductive, crystalline, polymer electrolytes, β-cyclodextrin (β-CD)-polyethylene oxide (PEO)/LiAsF6 and β-CD-PEO/NaAsF6 , were prepared through supramolecular self-assembly of PEO, β-CD, and LiAsF6 /NaAsF6 . The assembled β-CDs form nanochannels in which the PEO/X(+) (X=Li, Na) complexes are confined. The nanochannels provide a pathway for directional motion of the alkali metal ions and, at the same time, separate the cations and the anions by size exclusion. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermodynamics and kinetics of Na+/K+-formate ion pairs association in polarizable water: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Nguyen, Phuong T. M.; Nguyen, Van T.; Annapureddy, Harsha V. R.; Dang, Liem X.; Do, D. D.

2012-12-01

To enhance our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on the interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very complex free energy landscape was observed, much more so than alkali-halide ion pairs. Furthermore, a stronger binding between the Na+-formate pair was found in comparison to the K+-formate pair in water, which is in agreement with experimental and theoretical studies [1-4]. The kinetics of ion-pair inter-conversions was studied using the transition rate theory, along with a number of theoretical approaches such as the Kramers and Grote-Hynes theories. These kinetic results were used to predict solvent effects on dynamical features of ion-pair association, in which we have found that the dynamics of K+-formate pairs is faster than Na+-formate pairs.

Development of a green binder system for paper products.

PubMed

Flory, Ashley R; Vicuna Requesens, Deborah; Devaiah, Shivakumar P; Teoh, Keat Thomas; Mansfield, Shawn D; Hood, Elizabeth E

2013-03-26

It is important for industries to find green chemistries for manufacturing their products that have utility, are cost-effective and that protect the environment. The paper industry is no exception. Renewable resources derived from plant components could be an excellent substitute for the chemicals that are currently used as paper binders. Air laid pressed paper products that are typically used in wet wipes must be bound together so they can resist mechanical tearing during storage and use. The binders must be strong but cost-effective. Although chemical binders are approved by the Environmental Protection Agency, the public is demanding products with lower carbon footprints and that are derived from renewable sources. In this project, carbohydrates, proteins and phenolic compounds were applied to air laid, pressed paper products in order to identify potential renewable green binders that are as strong as the current commercial binders, while being organic and renewable. Each potential green binder was applied to several filter paper strips and tested for strength in the direction perpendicular to the cellulose fibril orientation. Out of the twenty binders surveyed, soy protein, gelatin, zein protein, pectin and Salix lignin provided comparable strength results to a currently employed chemical binder. These organic and renewable binders can be purchased in large quantities at low cost, require minimal reaction time and do not form viscous solutions that would clog sprayers, characteristics that make them attractive to the non-woven paper industry. As with any new process, a large-scale trial must be conducted along with an economic analysis of the procedure. However, because multiple examples of "green" binders were found that showed strong cross-linking activity, a candidate for commercial application will likely be found.

Development of a green binder system for paper products

PubMed Central

2013-01-01

Background It is important for industries to find green chemistries for manufacturing their products that have utility, are cost-effective and that protect the environment. The paper industry is no exception. Renewable resources derived from plant components could be an excellent substitute for the chemicals that are currently used as paper binders. Air laid pressed paper products that are typically used in wet wipes must be bound together so they can resist mechanical tearing during storage and use. The binders must be strong but cost-effective. Although chemical binders are approved by the Environmental Protection Agency, the public is demanding products with lower carbon footprints and that are derived from renewable sources. Results In this project, carbohydrates, proteins and phenolic compounds were applied to air laid, pressed paper products in order to identify potential renewable green binders that are as strong as the current commercial binders, while being organic and renewable. Each potential green binder was applied to several filter paper strips and tested for strength in the direction perpendicular to the cellulose fibril orientation. Out of the twenty binders surveyed, soy protein, gelatin, zein protein, pectin and Salix lignin provided comparable strength results to a currently employed chemical binder. Conclusions These organic and renewable binders can be purchased in large quantities at low cost, require minimal reaction time and do not form viscous solutions that would clog sprayers, characteristics that make them attractive to the non-woven paper industry. As with any new process, a large-scale trial must be conducted along with an economic analysis of the procedure. However, because multiple examples of “green” binders were found that showed strong cross-linking activity, a candidate for commercial application will likely be found. PMID:23531016

Production of refractory chamotte particle-reinforced geopolymer composite

NASA Astrophysics Data System (ADS)

Kovářík, T.; Kullová, L.; Rieger, D.

2016-04-01

Geopolymer resins are obtained by alkaline activation of aluminosilicate sources where raw calcined clays are one of the suitable potentialities. Besides the fact that chemical composition has an essential effect on final properties of the geopolymer binder, the type of filler strongly affected resulting properties of such granular composite. However, very few comparative studies have been done on detail description of composite systems: binder - granular filler, in relation to aggregate gradation design and rheology properties of the mixture. The aim of this work is to develop and describe granular composite concerning workability of the mixture and kinetics of geopolymerization/polycondensation through flow behaviour. The rheological measurements indicated that initial viscosities of the mixtures and their evolution are different for various proportions of the filler. Moreover, it was demonstrated that increase in complex viscosity responds to the creation of chemical bonds and the formation of structural network. Finally, a correlation of the mechanism of geopolymer formation was carried out by differential scanning calorimetry (DSC).

Additive Manufacturing Processes: Selective Laser Melting, Electron Beam Melting and Binder Jetting—Selection Guidelines

PubMed Central

Konda Gokuldoss, Prashanth; Kolla, Sri; Eckert, Jürgen

2017-01-01

Additive manufacturing (AM), also known as 3D printing or rapid prototyping, is gaining increasing attention due to its ability to produce parts with added functionality and increased complexities in geometrical design, on top of the fact that it is theoretically possible to produce any shape without limitations. However, most of the research on additive manufacturing techniques are focused on the development of materials/process parameters/products design with different additive manufacturing processes such as selective laser melting, electron beam melting, or binder jetting. However, we do not have any guidelines that discuss the selection of the most suitable additive manufacturing process, depending on the material to be processed, the complexity of the parts to be produced, or the design considerations. Considering the very fact that no reports deal with this process selection, the present manuscript aims to discuss the different selection criteria that are to be considered, in order to select the best AM process (binder jetting/selective laser melting/electron beam melting) for fabricating a specific component with a defined set of material properties. PMID:28773031

Additive Manufacturing Processes: Selective Laser Melting, Electron Beam Melting and Binder Jetting-Selection Guidelines.

PubMed

Gokuldoss, Prashanth Konda; Kolla, Sri; Eckert, Jürgen

2017-06-19

Additive manufacturing (AM), also known as 3D printing or rapid prototyping, is gaining increasing attention due to its ability to produce parts with added functionality and increased complexities in geometrical design, on top of the fact that it is theoretically possible to produce any shape without limitations. However, most of the research on additive manufacturing techniques are focused on the development of materials/process parameters/products design with different additive manufacturing processes such as selective laser melting, electron beam melting, or binder jetting. However, we do not have any guidelines that discuss the selection of the most suitable additive manufacturing process, depending on the material to be processed, the complexity of the parts to be produced, or the design considerations. Considering the very fact that no reports deal with this process selection, the present manuscript aims to discuss the different selection criteria that are to be considered, in order to select the best AM process (binder jetting/selective laser melting/electron beam melting) for fabricating a specific component with a defined set of material properties.

Process for producing an activated carbon adsorbent with integral heat transfer apparatus

NASA Technical Reports Server (NTRS)

Jones, Jack A. (Inventor); Yavrouian, Andre H. (Inventor)

1996-01-01

A process for producing an integral adsorbent-heat exchanger apparatus useful in ammonia refrigerant heat pump systems. In one embodiment, the process wets an activated carbon particles-solvent mixture with a binder-solvent mixture, presses the binder wetted activated carbon mixture on a metal tube surface and thereafter pyrolyzes the mixture to form a bonded activated carbon matrix adjoined to the tube surface. The integral apparatus can be easily and inexpensively produced by the process in large quantities.

The role of hydrothermal processes in concentrating high-field strength elements in the Strange Lake peralkaline complex, northeastern Canada

NASA Astrophysics Data System (ADS)

Salvi, Stefano; Williams-Jones, Anthony E.

1996-06-01

The middle-Proterozoic peralkaline pluton at Strange Lake, Quebec/Labrador, comprises hypersolvus to subsolvus phases which are unusually enriched in Zr, Y, REEs, Nb, Be, and F, as exotic alkali and alkaline-earth silicate minerals. The highest concentrations of these elements are in subsolvus granite, which underwent intense low temperature (≤200°C) hydrothermal alteration involving hematization and the replacement of alkali high-field strength element (HFSE) minerals by calcic equivalents. This alteration is interpreted to have been caused by meteoric or formational waters. High temperature (≥ 350°C) alteration, attributed to orthomagmatic fluids, is evident in other parts of the subsolvus granite by the replacement of arfvedsonite by aegirine. Comparisons of the chemical compositions of fresh and altered rocks indicate that rocks subjected to high temperature alteration were chemically unaffected, except for depletion in Zr, Y, and HREEs. These elements were appreciably enriched in rocks that underwent low temperature alteration. Other elements affected by low temperature alteration include Ca and Mg, which were added and Na, which was removed. Available data on HFSE speciation in aqueous fluids and the chemistry of the pluton, suggest that the HFSEs were transported as fluoride complexes. If this was the case, the low temperature fluid could not have been responsible for HFSE transport, because the high concentration of Ca and low solubility of fluorite would have buffered F - activity to levels too low to permit significant complexation. We propose that HFSE mineralization and accompanying alteration were the result of mixing, in the apical parts of the pluton, of a F-rich, essentially Ca-free orthomagmatic fluid containing significant concentrations of HFSEs, with an externally derived meteoric-dominated fluid, enriched in Ca as a result of interaction with calc-silicate gneisses and gabbros. According to this interpretation, the latter fluid was responsible for the exchange of Ca for alkalis, mainly Na, in HFSE-rich minerals and, by sharply reducing F - activity in the mixed fluid through fluorite precipitation and/or increasing pH, destabilised the HFSE-fluoride complexes, causing deposition of HFSE-bearing minerals. An important implication of this study is that major HFSE enrichment may be restricted to those rare cases where F-rich, Ca-free, metal leaching environments and Ca-rich depositional environments are juxtaposed.

Interfacial activity in alkaline flooding enhanced oil recovery

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

Chan, M.K.

1981-01-01

The ionization of long-chained organic acids in the crude oil to form soaps was shown to be primarily responsible for the lowering of oil-water interfacial tension at alkaline pH. These active acids can be concentrated by silica gel chromatography into a minor polar fraction. An equilibrium chemical model was proposed based on 2 competing reactions: the ionization of acids to form active anions, and the formation of undissociated soap between acid anions and sodium ions. It correlates the interfacial activity with the interfacial concentration of active acid anions which is expressed in terms of the concentrations of the chemical speciesmore » in the system. The model successfully predicts the observed oil-alkaline solution interfacial phenomenon, including its dependence on pH, alkali and salt concentrations, type of acid present and type of soap formed. Flooding at different alkali concentrations to activate different acid species present in the crude was shown to give better recovery than flooding at a single high alkali concentration. Treating the crude oil with a dilute solution of mineral acids liberates additional free active acids and yields better interfacial activity during subsequent alkali contact.« less

Chromium liquid waste inertization in an inorganic alkali activated matrix: leaching and NMR multinuclear approach.

PubMed

Ponzoni, Chiara; Lancellotti, Isabella; Barbieri, Luisa; Spinella, Alberto; Saladino, Maria Luisa; Martino, Delia Chillura; Caponetti, Eugenio; Armetta, Francesco; Leonelli, Cristina

2015-04-09

A class of inorganic binders, also known as geopolymers, can be obtained by alkali activation of aluminosilicate powders at room temperature. The process is affected by many parameters (curing time, curing temperature, relative humidity etc.) and leads to a resistant matrix usable for inertization of hazardous waste. In this study an industrial liquid waste containing a high amount of chromium (≈ 2.3 wt%) in the form of metalorganic salts is inertized into a metakaolin based geopolymer matrix. One of the innovative aspects is the exploitation of the water contained in the waste for the geopolymerization process. This avoided any drying treatment, a common step in the management of liquid hazardous waste. The evolution of the process--from the precursor dissolution to the final geopolymer matrix hardening--of different geopolymers containing a waste amount ranging from 3 to 20%wt and their capability to inertize chromium cations were studied by: i) the leaching tests, according to the EN 12,457 regulation, at different curing times (15, 28, 90 and 540 days) monitoring releases of chromium ions (Cr(III) and Cr(VI)) and the cations constituting the aluminosilicate matrix (Na, Si, Al); ii) the humidity variation for different curing times (15 and 540 days); iii) SEM characterization at different curing times (28 and 540 days); iv) the trend of the solution conductivity and pH during the leaching test; v) the characterization of the short-range ordering in terms of TOT bonds (where T is Al or Si) by (29)Si and (27)Al solid state magic-angle spinning nuclear magnetic resonance (ss MAS NMR) for geopolymers containing high amounts of waste (10-20%wt). The results show the formation of a stable matrix after only 15 days independently on the waste amount introduced; the longer curing times increase the matrices stabilities and their ability to immobilize chromium cations. The maximum amount of waste that can be inertized is around 10 wt% after a curing time of 28 days. Copyright © 2014 Elsevier B.V. All rights reserved.

ALKALI-ACTIVATED SLAG CEMENTS AS A SUSTAINABLE BUILDING MATERIAL

EPA Science Inventory

The overall goal of this project is to develop and characterize alkali-activated slag cements with minimal carbon footprints, as well as to answer scientific questions that have yet to be satisfactorily addressed by prior research. These questions include the final disposition...

Analysis of the Alkali Metal Diatomic Spectra; Using molecular beams and ultracold molecules

NASA Astrophysics Data System (ADS)

Kim, Jin-Tae

2014-12-01

This ebook illustrates the complementarity of molecular beam (MB) spectra and ultracold molecule (UM) spectra in unraveling the complex electronic spectra of diatomic alkali metal molecules, using KRb as a prime example. Researchers interested in molecular spectroscopy, whether physicist, chemist, or engineer, may find this ebook helpful and may be able to apply similar ideas to their molecules of interest.

Preparation, spectroscopic and thermal characterization of new charge-transfer complexes of ethidium bromide with π-acceptors. In vitro biological activity studies

NASA Astrophysics Data System (ADS)

Eldaroti, Hala H.; Gadir, Suad A.; Refat, Moamen S.; Adam, Abdel Majid A.

2013-05-01

Ethidium bromide (EtBr) is a strong DNA binder and has been widely used to probe DNA structure in drug-DNA and protein-DNA interaction. Four new charge-transfer (CT) complexes consisting of EtBr as donor and quinol (QL), picric acid (PA), tetracyanoquinodimethane (TCNQ) or dichlorodicyanobenzoquinone (DDQ) as acceptors, were synthesized and characterized by elemental analysis, electronic absorption, spectrophotometric titration, IR, Raman, 1H NMR and X-ray powder diffraction (XRD) techniques. The stoichiometry of these complexes was found to be 1:2 ratio and having the formula [(EtBr)(acceptor)]. The thermal stability of the synthesized CT complexes was investigated using thermogravimetric (TG) analyses, and the morphology and particle size of these complexes were obtained from scanning electron microscopy (SEM). The CT complexes were also tested for its antibacterial activity against two Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and two Gram-negative bacteria; Escherichia coli and Pseudomonas aeuroginosa strains by using Tetracycline as standard and antifungal property against Aspergillus flavus and Candida albicans by using amphotericin B as standard. The results were compared with the standard drugs and significant conclusions were obtained. The results indicated that the [(EtBr)(QL)2] complex had exerted excellent inhibitory activity against the growth of the tested bacterial strains.

Crown Ether Complexes of Alkali-Metal Chlorides from SO2.

PubMed

Reuter, Kirsten; Rudel, Stefan S; Buchner, Magnus R; Kraus, Florian; von Hänisch, Carsten

2017-07-18

The structures of alkali-metal chloride SO 2 solvates (Li-Cs) in conjunction with 12-crown-4 or 1,2-disila-12-crown-4 show strong discrepancies, despite the structural similarity of the ligands. Both types of crown ethers form 1:1 complexes with LiCl to give [Li(1,2-disila-12-crown-4)(SO 2 Cl)] (1) and [Li(12-crown-4)Cl]⋅4 SO 2 (2). However, 1,2-disila-12-crown-4 proved unable to coordinate cations too large for the cavity diameter, for example, by the formation of sandwich-type complexes. As a result, 12-crown-4 reacts exclusively with the heavier alkali-metal chlorides NaCl, KCl and RbCl. Compounds [Na(12-crown-4) 2 ]Cl⋅4 SO 2 (3) and [M(12-crown-4) 2 (SO 2 )]Cl⋅4 SO 2 (4: M=K; 5: M=Rb) all showed S-coordination to the chloride ions through four SO 2 molecules. Compounds 4 and 5 additionally exhibit the first crystallographically confirmed non-bridging O,O'-coordination mode of SO 2 . Unexpectedly, the disila-crown ether supports the dissolution of RbCl and CsCl in the solvent and gives the homoleptic SO 2 -solvated alkali-metal chlorides [MCl⋅3 SO 2 ] (6: M=Rb; 7: M=Cs), which incorporate bridging μ-O,O'-coordinating moieties and the unprecedented side-on O,O'-coordination mode. All compounds were characterised by single-crystal X-ray diffraction. The crown ether complexes were additionally studied by using NMR spectroscopy, and the presence of SO 2 at ambient temperature was revealed by IR spectroscopy of the neat compounds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Selecting for Fast Protein-Protein Association As Demonstrated on a Random TEM1 Yeast Library Binding BLIP.

PubMed

Cohen-Khait, Ruth; Schreiber, Gideon

2018-04-27

Protein-protein interactions mediate the vast majority of cellular processes. Though protein interactions obey basic chemical principles also within the cell, the in vivo physiological environment may not allow for equilibrium to be reached. Thus, in vitro measured thermodynamic affinity may not provide a complete picture of protein interactions in the biological context. Binding kinetics composed of the association and dissociation rate constants are relevant and important in the cell. Therefore, changes in protein-protein interaction kinetics have a significant impact on the in vivo activity of the proteins. The common protocol for the selection of tighter binders from a mutant library selects for protein complexes with slower dissociation rate constants. Here we describe a method to specifically select for variants with faster association rate constants by using pre-equilibrium selection, starting from a large random library. Toward this end, we refine the selection conditions of a TEM1-β-lactamase library against its natural nanomolar affinity binder β-lactamase inhibitor protein (BLIP). The optimal selection conditions depend on the ligand concentration and on the incubation time. In addition, we show that a second sort of the library helps to separate signal from noise, resulting in a higher percent of faster binders in the selected library. Fast associating protein variants are of particular interest for drug development and other biotechnological applications.

Increasing the reliability and quality of important cast products made of chemically active metals and alloys

NASA Astrophysics Data System (ADS)

Varfolomeev, M. S.; Moiseev, V. S.; Shcherbakova, G. I.

2017-01-01

A technology is developed to produce highly thermoresistant ceramic monoxide corundum molds using investment casting and an aluminum-organic binder. This technology is a promising trend in creating ceramic molds for precision complex-shape casting of important ingots made of high-alloy steels, high-temperature and titanium alloys, and refractory metals. The use of the casting molds that have a high thermal and chemical resistance to chemically active metals and alloys under high-temperature casting minimizes the physicochemical interaction and substantially decreases the depth of the hard-to-remove metal oxide layer on important products, which increases their service properties.

Comparison of Ion Balance and Nitrogen Metabolism in Old and Young Leaves of Alkali-Stressed Rice Plants

PubMed Central

Wang, Huan; Wu, Zhihai; Han, Jiayu; Zheng, Wei; Yang, Chunwu

2012-01-01

Background Alkali stress is an important agricultural contaminant and has complex effects on plant metabolism. The aim of this study was to investigate whether the alkali stress has different effects on the growth, ion balance, and nitrogen metabolism in old and young leaves of rice plants, and to compare functions of both organs in alkali tolerance. Methodology/Principal Findings The results showed that alkali stress only produced a small effect on the growth of young leaves, whereas strongly damaged old leaves. Rice protected young leaves from ion harm via the large accumulation of Na+ and Cl− in old leaves. The up-regulation of OsHKT1;1, OsAKT1, OsHAK1, OsHAK7, OsHAK10 and OsHAK16 may contribute to the larger accumulation of Na+ in old leaves under alkali stress. Alkali stress mightily reduced the NO3 − contents in both organs. As old leaf cells have larger vacuole, under alkali stress these scarce NO3 − was principally stored in old leaves. Accordingly, the expression of OsNRT1;1 and OsNRT1;2 in old leaves was up-regulated by alkali stress, revealing that the two genes might contribute to the accumulation of NO3 − in old leaves. NO3 − deficiency in young leaves under alkali stress might induce the reduction in OsNR1 expression and the subsequent lacking of NH4 +, which might be main reason for the larger down-regulation of OsFd-GOGAT and OsGS2 in young leaves. Conclusions/Significance Our results strongly indicated that, during adaptation of rice to alkali stress, young and old leaves have distinct mechanisms of ion balance and nitrogen metabolism regulation. We propose that the comparative studies of young and old tissues may be important for abiotic stress tolerance research. PMID:22655071

Polyamidoamine dendrimer-based binders for high-loading lithium–sulfur battery cathodes

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

Bhattacharya, Priyanka; Nandasiri, Manjula I.; Lv, Dongping

2016-01-01

Lithium-sulfur (Li-S) batteries are regarded as one of the most promising candidates for next generation energy storage systems because of their ultra high theoretical specific energy. To realize the practical application of Li-S batteries, however, a high S active material loading is essential (>70 wt% in the carbon-sulfur (C-S) composite cathode and >2 mg cm-2 in the electrode). A critical challenge to achieving this high capacity in practical electrodes is the dissolution of the longer lithium polysulfide reaction intermediates in the electrolyte (resulting in loss of active material from the cathode and contamination of the anode due to the polysulfidemore » shuttle mechanism). The binder material used for the cathode is therefore crucial as this is a key determinant of the bonding interactions between the active material (S) and electronic conducting support (C), as well as the maintenance of intimate contact between the electrode materials and current collector. The battery performance can thus be directly correlated with the choice of binder, but this has received only minimal attention in the relevant Li-S battery published literature. Here, we investigated the application of polyamidoamine (PAMAM) dendrimers as functional binders in Li-S batteries—a class of materials which has been unexplored for electrode design. By using dendrimers, it is demonstrated that high S loadings (>4 mg cm-2) can be easily achieved using "standard" (not specifically tailored) materials and simple processing methods. An exceptional electrochemical cycling performance was obtained (as compared to cathodes with conventional linear polymeric binders such as carboxymethyl cellulose (CMC) and styrene-butadiene rubber (SBR)) with >100 cycles and 85-98% capacity retention, thus demonstrating the significant utility of this new binder architecture which exhibits critical physicochemical properties and flexible nanoscale design parameters (CNDP's).« less

Zero-valent iron enhanced methanogenic activity in anaerobic digestion of waste activated sludge after heat and alkali pretreatment.

PubMed

Zhang, Yaobin; Feng, Yinghong; Quan, Xie

2015-04-01

Heat or alkali pretreatment is the effective method to improve hydrolysis of waste sludge and then enhance anaerobic sludge digestion. However the pretreatment may inactivate the methanogens in the sludge. In the present work, zero-valent iron (ZVI) was used to enhance the methanogenic activity in anaerobic sludge digester under two methanogens-suppressing conditions, i.e. heat-pretreatment and alkali condition respectively. With the addition of ZVI, the lag time of methane production was shortened, and the methane yield increased by 91.5% compared to the control group. The consumption of VFA was accelerated by ZVI, especially for acetate, indicating that the acetoclastic methanogenesis was enhanced. In the alkali-condition experiment, the hydrogen produced decreased from 27.6 to 18.8 mL when increasing the ZVI dosage from 0 to 10 g/L. Correspondingly, the methane yield increased from 1.9 to 32.2 mL, which meant that the H2-utilizing methanogenes was enriched. These results suggested that the addition of ZVI into anaerobic digestion of sludge after pretreated by the heat or alkali process could efficiently recover the methanogenic activity and increase the methane production and sludge reduction. Copyright © 2015 Elsevier Ltd. All rights reserved.

Testing of Binders Toxicological Effects

NASA Astrophysics Data System (ADS)

Strokova, V.; Nelyubova, V.; Rykunova, M.

2017-11-01

The article presents the results of a study of the toxicological effect of binders with different compositions on the vital activity of plant and animal test-objects. The analysis of the effect on plant cultures was made on the basis of the phytotesting data. The study of the effect of binders on objects of animal origin was carried out using the method of short-term testing. Based on the data obtained, binders are ranked according to the degree of increase in the toxic effect: Gypsum → Portland cement → Slag Portland cement. Regardless of the test-object type, the influence of binders is due to the release of various elements (calcium ions or heavy metals) into the solution. In case of plant cultures, the saturation of the solution with elements has a positive effect (there is no inhibitory effect), and in case of animal specimens - an increase in the toxic effect.

Alkali activated slag mortars provide high resistance to chloride-induced corrosion of steel

NASA Astrophysics Data System (ADS)

Criado, Maria; Provis, John L.

2018-06-01

The pore solutions of alkali-activated slag cements and Portland-based cements are very different in terms of their chemical and redox characteristics, particularly due to the high alkalinity and high sulfide content of alkali-activated slag cement. Therefore, differences in corrosion mechanisms of steel elements embedded in these cements could be expected, with important implications for the durability of reinforced concrete elements. This study assesses the corrosion behaviour of steel embedded in alkali-activated blast furnace slag (BFS) mortars exposed to alkaline solution, alkaline chloride-rich solution, water, and standard laboratory conditions, using electrochemical techniques. White Portland cement (WPC) mortars and blended cement mortars (white Portland cement and blast furnace slag) were also tested for comparative purposes. The steel elements embedded in immersed alkali-activated slag mortars presented very negative redox potentials and high apparent corrosion current values; the presence of sulfide reduced the redox potential, and the oxidation of the reduced sulfur-containing species within the cement itself gave an electrochemical signal that classical electrochemical tests for reinforced concrete durability would interpret as being due to steel corrosion processes. However, the actual observed resistance to chloride-induced corrosion was very high, as measured by extraction and characterisation of the steel at the end of a 9-month exposure period, whereas the steel embedded in white Portland cement mortars was significantly damaged under the same conditions.

Chemically coupled microwave and ultrasonic pre-hydrolysis of pulp and paper mill waste-activated sludge: effect on sludge solubilisation and anaerobic digestion.

PubMed

Tyagi, Vinay Kumar; Lo, Shang-Lien; Rajpal, Ankur

2014-05-01

The effects of alkali-enhanced microwave (MW; 50-175 °C) and ultrasonic (US) (0.75 W/mL, 15-60 min) pretreatments, on solubilisation and subsequent anaerobic digestion efficiency of pulp and paper mill waste-activated sludge, were investigated. Improvements in total chemical oxygen demand and volatile suspended solids (VSS) solubilisation were limited to 33 and 39 % in MW pretreatment only (175 °C). It reached 78 and 66 % in combined MW-alkali pretreatment (pH 12 + 175 °C), respectively. Similarly, chemical oxygen demand and VSS solubilisation were 58 and 37 % in US pretreatment alone (60 min) and it improved by 66 and 49 % after US-alkali pretreatment (pH 12 + 60 min), respectively. The biogas yield for US 60 min-alkali (pH 12)-pretreated sludge was significantly improved by 47 and 20 % over the control and US 60 reactors, respectively. The biogas generation for MW (150 °C)-alkali (pH 12)-pretreated sludge was only 6.3 % higher than control; however, it was 8.3 % lower than the MW (150 °C) reactor, which was due to the inhibition of anaerobic activity under harsh thermal-alkali treatment condition.

Solution-derived sodalite made with Si- and Ge-ethoxide precursors for immobilizing electrorefiner salt

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

Riley, Brian J.; Lepry, William C.; Crum, Jarrod V.

Chlorosodalite has the general form of Na8(AlSiO4)6Cl2 and this paper describes experiments conducted to synthesize sodalite to immobilize a mixed chloride salt using solution-based techniques. Sodalites were made using different Group IV contributions from either Si(OC2H5)4 or Ge(OC2H5)4, NaAlO2, and a simulated spent electrorefiner salt solution containing a mixture of alkali, alkaline earth, and lanthanide chlorides. Additionally, 6 glass binders at low loadings of 5 mass% were evaluated as sintering aids for the consolidation process. The approach of using the organic Group IV additives can be used to produce large quantities of sodalite at room temperature and shows promise overmore » a method where colloidal silica is used as the silica source. However, the small particle sizes inhibited densification during pressure-less sintering.« less

Immobilization of LiCl-Li2O pyroprocessing salt wastes in chlorosodalite using glass-bonded hydrothermal and salt-occlusion methods

NASA Astrophysics Data System (ADS)

Riley, Brian J.; Peterson, Jacob A.; Kroll, Jared O.; Frank, Steven M.

2018-04-01

In this study, hydrothermal and salt-occlusion processes were used to make chlorosodalite through reactions with a high-LiCl salt simulating a waste stream generated from pyrochemical treatment of oxide-based used nuclear fuel. Some products were reacted with glass binders to increase chlorosodalite yield through alkali ion exchange and to aid in densification. Hydrothermal processes included reaction of the salt simulant in an autoclave with either zeolite 4A or sodium aluminate and colloidal silica. Chlorosodalite yields in the crystalline products were nearly complete in the glass-bonded materials at values of 100 mass% for the salt-occlusion method, up to 99.0 mass% for the hydrothermal synthesis with zeolite 4A, and up to 96 mass% for the hydrothermal synthesis with sodium aluminate and colloidal silica. These results show promise for using chemically stable chlorosodalite to immobilize oxide reduction salt wastes.

Development of low-pH cementitious materials for HLRW repositories

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

Garcia Calvo, J.L., E-mail: jolgac@ietcc.csic.e; Hidalgo, A.; Alonso, C.

One of the most accepted engineering construction concepts of underground repositories for high radioactive waste considers the use of low-pH cementitious materials. This paper deals with the design of those based on Ordinary Portland Cements with high contents of silica fume and/or fly ashes that modify most of the concrete 'standard' properties, the pore fluid composition and the microstructure of the hydrated products. Their resistance to long-term groundwater aggression is also evaluated. The results show that the use of OPC cement binders with high silica content produces low-pH pore waters and the microstructure of these cement pastes is different frommore » the conventional OPC ones, generating C-S-H gels with lower CaO/SiO{sub 2} ratios that possibly bind alkali ions. Leaching tests show a good resistance of low-pH concretes against groundwater aggression although an altered front can be observed.« less

Effects of various asphalt binder additives/modifiers on moisture susceptible asphaltic mixtures.

DOT National Transportation Integrated Search

2014-01-01

Moisture damage of asphalt concrete is defined as the loss of strength and stability caused by the active presence of : moisture. The most common technique to mitigate moisture damage is using additives or modifiers with the asphalt binder or : the a...

Numerical simulation of stress distribution in Inconel 718 components realized by metal injection molding during supercritical debinding

NASA Astrophysics Data System (ADS)

Agne, Aboubakry; Barrière, Thierry

2018-05-01

Metal injection molding (MIM) is a process combining advantages of thermoplastic injection molding and powder metallurgy process in order to manufacture components with complex and near net-shape geometries. The debinding of a green component can be performed in two steps, first by using solvent debinding in order to extract the organic part of the binder and then by thermal degradation of the rest of the binder. A shorter and innovative method for extracting an organic binder involves the use of supercritical fluid instead of a regular solvent. The debinding via a supercritical fluid was recently investigated to extract organic binders contained in components obtained by Metal Injection Molding. It consists to put the component in an enclosure subjected to high pressure and temperature. The supercritical fluid has various properties depending on these two conditions, e.g., density and viscosity. The high-pressure combined with the high temperature during the process affect the component structure. Three mechanisms contributing to the deformation of the component can been differentiated: thermal expansion, binder extraction and supercritical fluid effect on the outer surfaces of the component. If one supposes that, the deformation due to binder extraction is negligible, thermal expansion and the fluid effect are probably the main mechanisms that can produce several stress. A finite-element model, which couples fluid-structures interaction and structural mechanics, has been developed and performed on the Comsol Multiphysics® finite-element software platform allowed to estimate the stress distribution during the supercritical debinding of MIM component composed of Inconel 718 powders, polypropylene, polyethylene glycol and stearic acid as binder. The proposed numerical simulations allow the estimation of the stress distribution with respect to the processing parameters for MIM components during the supercritical debinding process using a stationary solver.

Preparation of fly ash-granulated blast furnace slag-carbide slag binder and application in total tailings paste backfill

NASA Astrophysics Data System (ADS)

Li, Chao; Hao, Ya-fei; Zhao, Feng-qing

2018-03-01

Based on activation and synergistic effect among various materials, a low-cost mine backfill cementing material, FGC binder, was prepared by using fly ash, granulated blast-furnace slag (GBFS), carbide slag and composite activator. The proper proportioning of FGC binder is obtained by response surface experiment optimization method: fly ash 62 %, GBFS 20 %, carbide slag 8 % and compound activators 10 %. Adjusting the material ratio obtains different cementing material which could satisfy requirements of different mined-out areas. With the mass ratio of cementing material and tailings 1:4∼1:8, the concentration of total solid 70 %, the compressive strength values of total tailings filling body at 28 d reaches 1.64∼4.14 MPa, and the backfilling cost is 20 % lower than using OPC cement.

The role of nanocrystalline binder metallic coating into WC after additive manufacturing

NASA Astrophysics Data System (ADS)

Cavaleiro, A. J.; Fernandes, C. M.; Farinha, A. R.; Gestel, C. V.; Jhabvala, J.; Boillat, E.; Senos, A. M. R.; Vieira, M. T.

2018-01-01

Tungsten carbide with microsized particle powders are commonly used embedded in a tough binder metal. The application of these composites is not limited to cutting tools, WC based material has been increasingly used in gaskets and other mechanical parts with complex geometries. Consequently, additive manufacturing processes as Selective Laser Sintering (SLS) might be the solution to overcome some of the manufacturing problems. However, the use of SLS leads to resolve the problems resulting from difference of physical properties between tungsten carbide and the metallic binder, such as laser absorbance and thermal conductivity. In this work, an original approach of powder surface modification was considered to prepare WC-metal composite powders and overcome these constraints, consisting on the sputter-coating of the WC particle surfaces with a nanocrystalline thin film of metallic binder material (stainless steel). The coating improves the thermal behavior and rheology of the WC particles and, at the same time, ensures a binder homogenous distribution. The feasibility of the SLS technology as manufacturing process for WC powder sputter-coated with 13 wt% stainless steel AISI 304L was explored with different laser power and scanning speed parameters. The SLS layers were characterized regarding elemental distribution, phase composition and morphology, and the results are discussed emphasizing the role of the coating on the consolidation process.

The use of abdominal binders to treat over-shunting headaches.

PubMed

Sklar, Frederick H; Nagy, Laszlo; Robertson, Brian D

2012-06-01

Headaches are common in children with shunts. Headaches associated with over-shunting are typically intermittent and tend to occur later in the day. Lying down frequently makes the headaches better. This paper examines the efficacy of using abdominal binders to treat over-shunting headaches. Over an 18-year period, the senior author monitored 1027 children with shunts. Office charts of 483 active patients were retrospectively reviewed to identify those children with headaches and, in particular, those children who were thought to have headaches as a result of over-shunting. Abdominal binders were frequently used to treat children with presumed over-shunting headaches, and these data were analyzed. Of the 483 patients undergoing chart review, 258 (53.4%) had headache. A clinical diagnosis of over-shunting was made in 103 patients (21.3% overall; 39.9% of patients with headache). In 14 patients, the headaches were very mild (1-2 on a 5-point scale) and infrequent (1 or 2 per month), and treatment with an abdominal binder was not thought indicated. Eighty-nine patients were treated with a binder, but 19 were excluded from this retrospective study for noncompliance, interruption of the binder trial, or lack of follow-up. The remaining 70 pediatric patients, who were diagnosed with over-shunting headaches and were treated with abdominal binders, were the subjects of a more detailed retrospective study. Significant headache improvement was observed in 85.8% of patients. On average, the patients wore the binders for approximately 1 month, and headache relief usually persisted even after the binders were discontinued. However, the headaches eventually did recur in many of the patients more than a year later. In these patients, reuse of the abdominal binder was successful in relieving headaches in 78.9%. The abdominal binder is an effective, noninvasive therapy to control over-shunting headaches in most children. This treatment should be tried before any surgery is considered. It is suggested that the abdominal binder may modulate abnormally increased intracranial pulse pressures associated with over-shunting. Interactions with the cerebrovascular bed are suspected to account for persistent headache relief after the binder is discontinued.

Alkali activated solidification/stabilisation of air pollution control residues and co-fired pulverised fuel ash.

PubMed

Shirley, Robin; Black, Leon

2011-10-30

This paper examines the potential treatment by solidification/stabilisation (S/S) of air pollution control (APC) residues using only waste materials otherwise bound for disposal, namely a pulverised fuel ash (PFA) from a co-fired power station and a waste caustic solution. The use of waste materials to stabilise hazardous wastes in order to meet waste acceptance criteria (WAC) would offer an economical and efficient method for reducing the environmental impact of the hazardous waste. The potential is examined against leach limits for chlorides, sulphates and total dissolved solids, and compressive strength performance described in the WAC for stable non-reactive (SNR) hazardous waste landfill cells in England and Wales. The work demonstrates some potential for the treatment, including suitable compressive strengths to meet regulatory limits. Monolithic leach results showed good encapsulation compared to previous work using a more traditional cement binder. However, consistent with previous work, SNR WAC for chlorides was not met, suggesting the need for a washing stage. The potential problems of using a non-EN450 PFA for S/S applications were also highlighted, as well as experimental results which demonstrate the effect of ionic interactions on the mobility of phases during regulatory leach testing. Copyright © 2011 Elsevier B.V. All rights reserved.

Epitaxial growth of CoO films on semiconductor and metal substrates by constructing a complex heterostructure

NASA Astrophysics Data System (ADS)

Entani, S.; Kiguchi, M.; Saiki, K.; Koma, A.

2003-01-01

Epitaxial growth of CoO films was studied using reflection high-energy electron diffraction (RHEED), electron energy loss spectroscopy (EELS), ultraviolet photoelectron spectroscopy (UPS) and Auger electron spectroscopy (AES). The RHEED results indicated that an epitaxial CoO film grew on semiconductor and metal substrates (CoO (0 0 1)∥GaAs (0 0 1), Cu (0 0 1), Ag (0 0 1) and [1 0 0]CoO∥[1 0 0] substrates) by constructing a complex heterostructure with two alkali halide buffer layers. The AES, EELS and UPS results showed that the grown CoO film had almost the same electronic structure as bulk CoO. We could show that use of alkali halide buffer layers was a good way to grow metal oxide films on semiconductor and metal substrates in an O 2 atmosphere. The alkali halide layers not only works as glue to connect very dissimilar materials but also prevents oxidation of metal and semiconductor substrates.

Titanium, vanadium, and niobium mineralization and alkali metasomatism from the Magnet Cove complex, Arkansas

USGS Publications Warehouse

Flohr, M.J.K.

1994-01-01

The Christy deposit formed through a series of complex processes. The initial phase of mineralization is directly related to the infiltration of novaculite by alkali-rich fluids that were probably derived from carbonatite magma. Titanium, V, Nb, and Li were introduced by the alkali-rich fluids at temperatures that were as high as 600??C. During the initial stage of mineralization, V was concentrated in aegirine and sodic amphibole, Li was concentrated in taeniolite, minor amounts of Ti were concentrated in aegirine, and pyrite formed. The replacement of novaculite by the aforementioned minerals yielded excess silica, which precipitated as quartz. Niobium- and V-bearing brookite precipitated with the quartz. Minerals formed during the first stage reacted with a second fluid at temperatures of 100?? to 300??C and V was then concentrated in smectite and goethite. The second fluid was a mixture of low-temperature metasomatic fluid and groundwater. Vanadium was further concentrated in clay minerals in goethite, and in vug minerals as low-temperature alteration proceeded. -from Author

Zirconium and hafnium fractionation in differentiation of alkali carbonatite magmatic systems

NASA Astrophysics Data System (ADS)

Kogarko, L. N.

2016-05-01

Zirconium and hafnium are valuable strategic metals which are in high demand in industry. The Zr and Hf contents are elevated in the final products of magmatic differentiation of alkali carbonatite rocks in the Polar Siberia region (Guli Complex) and Ukraine (Chernigov Massif). Early pyroxene fractionation led to an increase in the Zr/Hf ratio in the evolution of the ultramafic-alkali magmatic system due to a higher distribution coefficient of Hf in pyroxene with respect to Zr. The Rayleigh equation was used to calculate a quantitative model of variation in the Zr/Hf ratio in the development of the Guli magmatic system. Alkali carbonatite rocks originated from rare element-rich mantle reservoirs, in particular, the metasomatized mantle. Carbonated mantle xenoliths are characterized by a high Zr/Hf ratio due to clinopyroxene development during metasomatic replacement of orthopyroxene by carbonate fluid melt.

A study on effect of ATH on Euphorbia coagulum modified polyester banana fiber composite

NASA Astrophysics Data System (ADS)

Kumari, Sanju; Rai, Bhuvneshwar; Kumar, Gulshan

2018-02-01

Fiber reinforced polymer composites are used for building and structural applications due to their high strength. In conventional composites both the binder and the reinforcing fibers are synthetic or either one of the material is natural. In the present study coagulum of Euphorbia royleana has been used for replacing polyester resinas binder in polyester banana composite. Euphorbia coagulum (driedlatex) is rich in resinous mass (60-80%), which are terpenes and polyisoprene (10-20%). Effect of varying percentage of coagulum content on various physico-mechanical properties of polyester-banana composites has been studied. Since banana fiber is sensitive to water due to presence of polar group, banana composite undergoes delamination and deterioration under humid condition. Alkali treated banana fiber along with coagulum content has improved overall mechanical properties and reduction in water absorption. The best physico-mechanical properties have been achieved on replacing 40% of polyester resin by coagulum. An increase of 50% in bending strength, 30% bending modulus and 45% impact strength as well as 68% decrease in water absorption was observed. Incorporation of 20% ATH as flame retardant in coagulum modified banana polyester composite enhanced limiting oxygen index from 20.6 to 26.8% and smoke density reduced up to 40%. This study presents the possibility of utilization of renewable materials for environmental friendly composite development as well as to find out alternative feedstock for petroleum products. Developed Euphorbia latex modified banana polyester composites can have potential utility in hardboard, partition panel, plywood and automotive etc.

Evaluation of Thermal Oxidative Aging Effect on the Rheological Performance of Modified Asphalt Binders

NASA Astrophysics Data System (ADS)

Zhu, Cheng

Modified asphalt binder, which is combined by base binder and additive modifier, has been implemented in pavement industry for more than 30 years. Recently, the oxidative aging mechanism of asphalt binder has been studied for several decades, and appreciable finding results of asphalt binder aging mechanism were achieved from the chemistry and rheological performance aspects. However, most of these studies were conducted with neat binders, the research of aging mechanism of modified asphalt binder was limited. Nowadays, it is still highly necessary to clarify how the asphalt binder aging happens with the modified asphalt binder, what is the effect of the different modifiers (additives) on the binder aging process, how the rheological performance changes under the thermal oxidative aging conditions and so on. The objective of this study was to investigate the effect of isothermal oxidative aging conditions on the rheological performance change of the modified and controlled asphalt binders. There were totally 14 different sorts of asphalt binders had been aged in the PAV pans in the air-force drafted ovens at 50°C, 60°C and 85°C for 0.5 day to 240 days. The Fourier-Transform Infrared Spectroscopy (FT-IR) and Dynamic Shear Rheometer (DSR) were used to perform the experiments. The analysis of rheological indices (Low shear viscosity-LSV, Crossover modulus-G*c, Glover-Rowe Parameter-G-R, DSR function-DSR Fn) as a function of carbonyl area (CA) was conducted. With the SBS modification, both of the hardening susceptibility of the rheological index-LSV and G-R decreases compared with the corresponding base binder. The TR increased the hardening susceptibility of all the rheological indexes. While for the G*c, SBS increases the slope of the most modified asphalt binders except A and B_TR_X series binders. The multiple linear regression statistical analysis results indicate that the oxidative aging conditions play an important role on the CA, and rheological performance indexes. The modifiers-SBS and TR have different directional effect on these parameters. The field asphalt binder carbonyl area prediction was conducted. The pavement temperatures which were calculated by TEMP software were input into MATLAB(TM) as a parameter with other factors, e.g the asphalt binder oxidative aging parameters, the binder film thickness, the air void radius, etc., to calculate the field asphalt CA value as a function of time out to 20 years. It was found that the different rheological index method resulted different conclusion with the asphalt binder. The SBS modified asphalt binders of A, C version and B version had close average increasing rate of LSV, higher average decreasing rate of G*c, lower average increasing rate of DSR Fn compared with the corresponding base binders. D_HPM had lower average increasing rate of LSV, G*c and DSR Fn than base binder Base D. The tire rubber modified binder B_TR had higher average increasing rate of LSV, DSR Fn, and higher average decreasing rate of G*c than base binder Base B. The main finding of this study was that the modifier SBS and tire rubber can reduce the thermal oxidation aging rate (kf and kc) compared with the corresponding base binder, the activation energy was asphalt binder source dependent. For the hardening susceptibility, the modifiers-SBS, X, Y, Z reduced the HS of LSV and G-R. The tire rubber slightly increased the HS of LSV and G-R. A_PM, B_TR_X_PM reduced the HS of G*c and other modified binders increased the HS of G*c.

Durability of cement and geopolimer composites

NASA Astrophysics Data System (ADS)

Błaszczyński, T.; Król, M.

2017-10-01

Concrete structures are constantly moving in the direction of improving the durability. This main feature depends on many factors, which are the composition of concrete mix, the usage of additives and admixtures and the place, where material will work and carry the load. The introduction of new geopolymer binders for geopolymer structures adds a new aspect that is type of used activator. This substance with strongly alkaline reaction is divided because of the physical state, the alkaline degree and above all the chemical composition. Taking into account, that at present the geopolymer binders are made essentially from waste materials or by products from the combustion of coal or iron ore smelting, unambiguous determination of the effect of the activator on the properties of the geopolymer material requires a number of trials, researches and observation. This paper shows the influence of the most alkaline activators on the basic parameters of the durability of geopolymer binders. In this study there were used a highly alkaline hydroxides, water glasses and granules, which are waste materials in a variety of processes taking place in a chemical plants. As the substrate of geopolymer binders there were used fly ash which came from coal and high calcium ash from the burning of lignite.

Spray-painted binder-free SnSe electrodes for high-performance energy-storage devices.

PubMed

Wang, Xianfu; Liu, Bin; Xiang, Qingyi; Wang, Qiufan; Hou, Xiaojuan; Chen, Di; Shen, Guozhen

2014-01-01

SnSe nanocrystal electrodes on three-dimensional (3D) carbon fabric and Au-coated polyethylene terephthalate (PET) wafer have been prepared by a simple spray-painting process and were further investigated as binder-free active-electrodes for Lithium-ion batteries (LIBs) and flexible stacked all-solid-state supercapacitors. The as-painted SnSe nanocrystals/carbon fabric electrodes exhibit an outstanding capacity of 676 mAh g(-1) after 80 cycles at a current density of 200 mA g(-1) and a considerable high-rate capability in lithium storage because of the excellent ion transport from the electrolyte to the active materials and the efficient charge transport between current collector and electrode materials. The binder-free electrodes also provide a larger electrochemical active surface compared with electrodes containing binders, which leads to the enhanced capacities of energy-storage devices. A flexible stacked all-solid-state supercapacitor based on the SnSe nanocrystals on Au-coated PET wafers shows high capacitance reversibility with little performance degradation at different current densities after 2200 charge-discharge cycles and even when bent. This allows for many potential applications in facile, cost-effective, spray-paintable, and flexible energy-storage devices. The results indicate that the fabrication of binder-free electrodes by a spray painting process is an interesting direction for the preparation of high-performance energy-storage devices. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Boron Supply Enhances Aluminum Tolerance in Root Border Cells of Pea (Pisum sativum) by Interacting with Cell Wall Pectins

PubMed Central

Fang, Jing; Tao, Lin; Shen, Ren Fang; Li, Ya Lin; Xiao, Hong Dong; Feng, Ying Ming; Wen, Hai Xiang; Guan, Jia Hua; Wu, Li Shu; He, Yong Ming; Goldbach, Heiner E.; Yu, Min

2017-01-01

Aluminum (Al) toxicity is the primary factor limiting crop growth in acidic soils. Boron (B) alleviates Al toxicity in plants, which is mainly considered to be due to the formation of Rhamnogalacturonan II-B (RGII-B) complexes, which helps to stabilize the cytoskeleton. It is unclear yet whether this is due to the increasing of net negative charges and/or further mechanisms. Kinetics of Al accumulation and adsorption were investigated using entire cells, cell wall and pectin of root border cells (RBCs) of pea (Pisum sativum), to reveal the mechanism of B in interacting with alkali-soluble and chelator-soluble pectin for an increased Al tolerance in RBCs. The results show that B could rescue RBCs from Al-induced cell death by accumulating more Al in the cell wall, predominately in alkali-soluble pectin. Boron also promotes Al3+ adsorption and inhibits Al3+ desorption from alkali-soluble pectin. Thus, more Al3+ is immobilized within the alkali-soluble pectin fraction and less in the chelator-soluble pectin, rendering Al3+ less mobile. Boron induces an increase of RG-II (KDO,2-keto-3-deoxyoctonic acid) content for forming more borate-RGII complexes, and the decrease of pectin methyl-esterification, thus creates more negative charges to immobilize Al3+ in cell wall pectin. The study provides evidence that abundant B supply enhances the immobilization of Al in alkali-soluble pectin, thus most likely reducing the entry of Al3+ into the symplast from the surroundings. PMID:28533794

Preliminary report of the discovery of a new pharmaceutical granulation process using foamed aqueous binders.

PubMed

Keary, Colin M; Sheskey, Paul J

2004-09-01

Spray granulation is commonly used to improve the flow of drug formulation powders by adding liquid binders. We have discovered a new granulation process whereby liquid binders are added as aqueous foam. Initial experiments indicate that foam granulations require less binder than spray granulations, less water is added to the powder mass, rates of addition of foam can be greater than rates of addition of sprayed liquids, and foam can be added in a single batch to the surface of the powder mass for incorporation at some later stage in the process. This new process appears to have no detrimental effects on granulate, tablet, or in vitro drug dissolution properties. In addition, the elimination of spray addition reduces the complexity of the process and avoids the plugging problems associated with spray nozzles. Several formulations were successfully scaled up from laboratory scale (1.5 kg) to pilot scale (15 kg). Process control was good and there was no detrimental effect on tablet and drug dissolution properties. This paper also proposes a working hypothesis of the mechanism by which foam granulation operates.

Fabrication of porous silicon nitride ceramics using binder jetting technology

NASA Astrophysics Data System (ADS)

Rabinskiy, L.; Ripetsky, A.; Sitnikov, S.; Solyaev, Y.; Kahramanov, R.

2016-07-01

This paper presents the results of the binder jetting technology application for the processing of the Si3N4-based ceramics. The difference of the developed technology from analogues used for additive manufacturing of silicon nitride ceramics is a method of the separate deposition of the mineral powder and binder without direct injection of suspensions/slurries. It is assumed that such approach allows reducing the technology complexity and simplifying the process of the feedstock preparation, including the simplification of the composite materials production. The binders based on methyl ester of acrylic acid with polyurethane and modified starch were studied. At this stage of the investigations, the technology of green body's fabrication is implemented using a standard HP cartridge mounted on the robotic arm. For the coordinated operation of the cartridge and robot the specially developed software was used. Obtained green bodies of silicon powder were used to produce the ceramic samples via reaction sintering. The results of study of ceramics samples microstructure and composition are presented. Sintered ceramics are characterized by fibrous α-Si3N4 structure and porosity up to 70%.

Fractionation of Cl/Br during fluid phase separation in magmatic-hydrothermal fluids

NASA Astrophysics Data System (ADS)

Seo, Jung Hun; Zajacz, Zoltán

2016-06-01

Brine and vapor inclusions were synthesized to study Cl/Br fractionation during magmatic-hydrothermal fluid phase separation at 900 °C and pressures of 90, 120, and 150 MPa in Li/Na/K halide salt-H2O systems. Laser ablation ICP-MS microanalysis of high-density brine inclusions show an elevated Cl/Br ratio compared to the coexisting low-density vapor inclusions. The degree of Cl/Br fractionation between vapor and brine is significantly dependent on the identity of the alkali metal in the system: stronger vapor partitioning of Br occurs in the Li halide-H2O system compared to the systems of K and Na halide-H2O. The effect of the identity of alkali-metals in the system is stronger compared to the effect of vapor-brine density contrast. We infer that competition between alkali-halide and alkali-OH complexes in high-temperature fluids might cause the Cl/Br fractionation, consistent with the observed molar imbalances of alkali metals compared to halides in the analyzed brine inclusions. Our experiments show that the identity of alkali metals controls the degrees of Cl/Br fractionation between the separating aqueous fluid phases at 900 °C, and suggest that a significant variability in the Cl/Br ratios of magmatic fluids can arise in Li-rich systems.

Metal based biologically active compounds: Design, synthesis, DNA binding and antidiabetic activity of 6-methyl-3-formyl chromone derived hydrazones and their metal (II) complexes.

PubMed

Philip, Jessica Elizabeth; Shahid, Muhammad; Prathapachandra Kurup, M R; Velayudhan, Mohanan Puzhavoorparambil

2017-10-01

Two chromone hydrazone ligands HL 1 and HL 2 were synthesized and characterized by elemental analyses, IR, 1 H NMR & 13 C NMR, electronic absorption and mass spectra. The reactions of the chromone hydrazones with transition metals such as Ni, Cu, and Zn (II) salts of acetate afforded mononuclear metal complexes. Characterization and structure elucidation of the prepared chromone hydrazone metal (II) complexes were done by elemental, IR, electronic, EPR spectra and thermo gravimetric analyses as well as conductivity and magnetic susceptibility measurements. The spectroscopic data showed that the ligand acts as a mono basic bidentate with coordination sites are azomethine nitrogen and hydrazonic oxygen, and they exhibited distorted geometry. The biological studies involved antidiabetic activity i.e. enzyme inhibition of α-amylase and α-glucosidase, Calf Thymus - DNA (CT-DNA) interaction and molecular docking. Potential capacity of synthesized compounds to inhibit the α-amylase and α-glucosidase activity was assayed whereas DNA interaction studies were carried out with the help UV-Vis absorption titration and viscosity method. The docking studies of chromone hydrazones show that they are minor groove binders. Complexes were found to be good DNA - intercalates. Chromone hydrazones and its transition metal complexes have shown comparable antidiabetic activity with a standard drug acarbose. Copyright © 2017 Elsevier B.V. All rights reserved.

[Effects of desulfurization waste on calcium distribution, Ca(2+)-ATPase activity, and antioxidant characteristics of rice leaf under alkali stress].

PubMed

Mao, Gui-Lian; Xu, Xing; Zeng, Jin; Yue, Zi-Hui; Yang, Shu-Juan

2012-02-01

To approach the action mechanisms of desulfurization waste on alleviating alkali stress-induced injury of rice, a pot experiment was conducted to study the variations of leaf total calcium content, calcium distribution, plasma membrane Ca(2+)-ATPase activity, and reactive oxygen content of rice seedlings under alkali stress after the application of desulfurization waste. In the control, a few calcium particulates scattered in the cell wall and chloroplasts, while applying desulfurization waste or CaSO4 increased the calcium particulates in the plasma membrane, intercellular space, cell wall, and vacuole significantly. With the increasing application rate of desulfurization waste or CaSO4, the leaf total calcium content increased, Ca(2+)-ATPase activity in plasma membrane and tonoplast presented an increasing trend, plasma membrane relative permeability, MDA content, and O2 production rate decreased, and SOD and POD activities increased. The desulfurization waste could relieve the alkali stress to rice in some extent, and the main reactive compound in the waste could be CaSO4.

Experimental studies of alunite: II. Rates of alunite-water alkali and isotope exchange

USGS Publications Warehouse

Stoffregen, R.E.; Rye, R.O.; Wasserman, M.D.

1994-01-01

Rates of alkali exchange between alunite and water have been measured in hydrothermal experiments of 1 hour to 259 days duration at 150 to 400??C. Examination of run products by scanning electron microscope indicates that the reaction takes place by dissolution-reprecipitation. This exchange is modeled with an empirical rate equation which assumes a linear decrease in mineral surface area with percent exchange (f) and a linear dependence of the rate on the square root of the affinity for the alkali exchange reaction. This equation provides a good fit of the experimental data for f = 17% to 90% and yields log rate constants which range from -6.25 moles alkali m-2s-1 at 400??C to - 11.7 moles alkali m-2s-1 at 200??C. The variation in these rates with temperature is given by the equation log k* = -8.17(1000/T(K)) + 5.54 (r2 = 0.987) which yields an activation energy of 37.4 ?? 1.5 kcal/mol. For comparison, data from O'Neil and Taylor (1967) and Merigoux (1968) modeled with a pseudo-second-order rate expression give an activation energy of 36.1 ?? 2.9 kcal/mol for alkali-feldspar water Na-K exchange. In the absence of coupled alkali exchange, oxygen isotope exchange between alunite and water also occurs by dissolution-reprecipitation but rates are one to three orders of magnitude lower than those for alkali exchange. In fine-grained alunites, significant D-H exchange occurs by hydrogen diffusion at temperatures as low as 100??C. Computed hydrogen diffusion coefficients range from -15.7 to -17.3 cm2s-1 and suggest that the activation energy for hydrogen diffusion may be as low as 6 kcal/mol. These experiments indicate that rates of alkali exchange in the relatively coarse-grained alunites typical of hydrothermal ore deposits are insignificant, and support the reliability of K-Ar age data from such samples. However, the fine-grained alunites typical of low temperature settings may be susceptible to limited alkali exchange at surficial conditions which could cause alteration of their radiometric ages. Furthermore, the rapid rate of hydrogen diffusion observed at 100-150??C suggests that fine-grained alunites are susceptible to rapid D-H re-equilibration even at surficial conditions. ?? 1994.

Computational exploration of zinc binding groups for HDAC inhibition.

PubMed

Chen, Kai; Xu, Liping; Wiest, Olaf

2013-05-17

Histone deacetylases (HDACs) have emerged as important drug targets in epigenetics. The most common HDAC inhibitors use hydroxamic acids as zinc binding groups despite unfavorable pharmacokinetic properties. A two-stage protocol of M05-2X calculations of a library of 48 fragments in a small model active site, followed by QM/MM hybrid calculations of the full enzyme with selected binders, is used to prospectively select potential bidentate zinc binders. The energetics and interaction patterns of several zinc binders not previously used for the inhibition of HDACs are discussed.

Mixed ligand complexes of Cu(II)/Zn(II) ions containing (m-)/(p-) carboxylato phenyl azo pentane 2,4-dione and 2,2‧-bipyridine/1,10 phenanthroline: Synthesis, characterization, DNA binding, nuclease and topoisomerase I inhibitory activity

NASA Astrophysics Data System (ADS)

Hasan, Md. Amin; Kumari, Niraj; Singh, Kanhaiya; Singh, Kiran; Mishra, Lallan

2016-01-01

Metal complexes of type [Cu(L1H)2(bpy)] (1), [Zn(L1H)2(bpy)] (2), [Cu(L2H)2(bpy)] (3) and [Cu(L2H)2(Phen)] (4) (L1H2 = 3-[N‧-(1-acetyl-2-oxo-propylidene)-hydrazino]-benzoic acid, L2H2 = 4-[N‧-(1-acetyl-2-oxo-propylidene)-hydrazino]-benzoic acid, bpy = 2,2‧-bipyridine, Phen = 1,10 phenanthroline) are synthesized and characterized using spectroscopic techniques (FT-IR, 1H NMR, 13C NMR, electronic absorption and emission) and elemental analysis data. The assembly of the complexes involving intramolecular H-bonding is displayed using corresponding crystal structure. Binding of the complexes separately with Calf Thymus DNA is monitored using UV-vis spectral titrations. The displacement of ethidium bromide (EB) bound to DNA by the complexes, in phosphate buffer solution (pH ∼ 7.2) is monitored using fluorescence spectral titrations. Nuclease activity of the complexes follow the order 4 > 3 > 1 > 2. The gel electrophoretic mobility assay measurement in presence of minor groove binder 4‧,6-diamidino-2-phenylindole (DAPI), suggests that complexes preferably bind with the minor groove of DNA. Topoisomerase I inhibitory activity of the complexes 3 and 4 inhibit topoisomerase I activity with IC50 values of 112 and 87 μM respectively.

Method of preparing electrolyte for use in fuel cells

DOEpatents

Kinoshita, Kimio; Ackerman, John P.

1978-01-01

An electrolyte compact for fuel cells includes a particulate support material of lithium aluminate that contains a mixture of alkali metal compounds, such as carbonates or hydroxides, as the active electrolyte material. The porous lithium aluminate support structure is formed by mixing alumina particles with a solution of lithium hydroxide and another alkali metal hydroxide, evaporating the solvent from the solution and heating to a temperature sufficient to react the lithium hydroxide with alumina to form lithium aluminate. Carbonates are formed by reacting the alkali metal hydroxides with carbon dioxide gas in an exothermic reaction which may proceed simultaneously with the formation with the lithium aluminate. The mixture of lithium aluminate and alkali metal in an electrolyte active material is pressed or otherwise processed to form the electrolyte structure for assembly into a fuel cell.

Colloidal Aggregate Structure under Shear by USANS

NASA Astrophysics Data System (ADS)

Chatterjee, Tirtha; van Dyk, Antony K.; Ginzburg, Valeriy V.; Nakatani, Alan I.

2015-03-01

Paints are complex formulations of polymeric binders, inorganic pigments, dispersants, surfactants, colorants, rheology modifiers, and other additives. A commercially successful paint exhibits a desired viscosity profile over a wide shear rate range from 10-5 s-1 for settling to >104 s-1 for rolling, and spray applications. Understanding paint formulation structure is critical as it governs the paint viscosity profile. However, probing paint formulation structure under shear is a challenging task due to the formulation complexity containing structures with different hierarchical length scales and their alterations under the influence of an external flow field. In this work mesoscale structures of paint formulations under shear are investigated using Ultra Small-Angle Neutron Scattering (rheo-USANS). Contrast match conditions were utilized to independently probe the structure of latex binder particle aggregates and the TiO2 pigment particle aggregates. Rheo-USANS data revealed that the aggregates are fractal in nature and their self-similarity dimensions and correlations lengths depend on the chemistry of the binder particles, the type of rheology modifier present and the shear stress imposed upon the formulation. These results can be explained in the framework of diffusion and reaction limited transient aggregates structure evolution under simple shear.

Characterization of raw and alkali treated new natural cellulosic fiber from Coccinia grandis.L.

PubMed

Senthamaraikannan, P; Kathiresan, M

2018-04-15

The physical, chemical, tensile, crystalline, thermal, and surface morphological properties of raw and alkali treated Coccinia Grandis.L Fibers (CGFs) were characterized for the first time in this work. The results of the chemical analysis indicate that, after alkali treatment, the cellulose content of CGFs increased whereas hemicelluloses, lignin and wax contents decreased. This directly influenced the tensile strength, crystallinity index, thermal stability and the roughness of alkali-treated CGFs. The thermal stability and activation energy of the CGFs improved from 213.4 °C to 220.6 °C and 67.02 kJ/mol to 73.43 kJ/mol, respectively, due to alkali treatment. The statistical approach, Weibull distribution was adopted to analyze the tensile properties. The improved properties of the alkali treated CGF indicate that it could be an appropriate material for reinforcement in polymer composites. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effects of microwave and alkali induced pretreatment on sludge solubilization and subsequent aerobic digestion.

PubMed

Chang, Chia-Jung; Tyagi, Vinay Kumar; Lo, Shang-Lien

2011-09-01

Individual and combined effects of microwave (MW) and alkali pretreatments on sludge disintegration and subsequent aerobic digestion of waste activated sludge (WAS) were studied. Pretreatments with MW (600W-85°C-2 min), conventional heating (520 W-80°C-12 min) and alkali (1.5 g NaOH/L - pH 12-30 min) achieved 8.5%, 7% and 18% COD solubilization, respectively. However, combined MW-alkali pretreatment synergistically enhanced sludge solubilization and achieved 46% COD solubilization, 20% greater than the additive value of MW alone and alkali alone (8.5+18%=26.5%). Moreover, the results of the batch aerobic digestion study on MW-alkali pretreated sludge showed 93% and 63% reductions in SCOD and VSS concentrations, respectively, at 16 days of SRT. The VSS reduction was 20% higher than that of WAS without pretreatment. Copyright © 2011 Elsevier Ltd. All rights reserved.

Thermal inactivation of alkali phosphatases under various conditions

NASA Astrophysics Data System (ADS)

Atyaksheva, L. F.; Tarasevich, B. N.; Chukhrai, E. S.; Poltorak, O. M.

2009-02-01

The thermal inactivation of alkali phosphatases from bacteria Escherichia coli (ECAP), bovine intestines (bovine IAP), and chicken intestines (chicken IAP) was studied in different buffer solutions and in the solid state. The conclusion was made that these enzymes had maximum stability in the solid state, and, in a carbonate buffer solution, their activity decreased most rapidly. It was found that the bacterial enzyme was more stable than animal phosphatases. It was noted that, for ECAP, four intermediate stages preceded the loss of enzyme activity, and, for bovine and chicken IAPs, three intermediate stages were observed. The activation energy of thermal inactivation of ECAP over the range 25-70°C was determined to be 80 kJ/mol; it corresponded to the dissociation of active dimers into inactive monomers. Higher activation energies (˜200 kJ/mol) observed at the initial stage of thermal inactivation of animal phosphatases resulted from the simultaneous loss of enzyme activity caused by dimer dissociation and denaturation. It was shown that the activation energy of denaturation of monomeric animal alkali phosphatases ranged from 330 to 380 kJ/mol depending on buffer media. It was concluded that the inactivation of solid samples of alkali phosphatases at 95°C was accompanied by an about twofold decrease in the content of β structures in protein molecules.

Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons

DOE PAGES

Choi, Woon Ih; Wood, Brandon C.; Schwegler, Eric; ...

2015-09-22

Transition metal (TM) atoms in porphyrin–like complexes play important roles in many protein and enzymetic systems, where crystal–field effects are used to modify d–orbital levels. Inspired by the tunable electronic structure of these motifs, a high–throughput computational search for synthetic hydrogen catalysts is performed based on a similar motif of TM atoms embedded into the lattice of graphene. Based on an initial list of 300 possible embedding geometries, binders, and host atoms, descriptors for stability and catalytic activity are applied to extract ten promising candidates for hydrogen evolution, two of which are expected to exhibit high activity for hydrogen oxidation.more » In several instances, the active TM atoms are earth–abundant elements that show no activity in the bulk phase, highlighting the importance of the coordination environment in tuning the d–orbitals. In conclusion, it is found that the most active candidates involve a hitherto unreported surface reaction pathway that involves a Kubas–complex intermediate, which significantly lowers the kinetic barrier associated with hydrogen dissociation and association.« less

Reducing sugar production of sweet sorghum bagasse kraft pulp

NASA Astrophysics Data System (ADS)

Solihat, Nissa Nurfajrin; Fajriutami, Triyani; Adi, Deddy Triyono Nugroho; Fatriasari, Widya; Hermiati, Euis

2017-01-01

Kraft pulping of sweet sorghum bagasse (SSB) has been used for effective delignification method for cellulose production. This study was conducted to evaluate the performance pulp kraft of SSB for reducing sugar production. The study intended to investigate the effect of active alkali and sulfidity loading variation of SSB pulp kraft on reducing sugar yield per biomass. The SSB pulp was prepared after pulping using three variations of active alkali (17, 19, and 22%) and sulfidity loading (20, 22, and 24%) at 170°C for 4 h with liquor to wood ratio of 10. A total of 9 pulps were obtained from these pretreatments. Delignification pretreatment has been succesfully removed lignin and hemicellulose more than 90% and 50%, respectively. Increasing active alkali and sulfidity loading has significantly increased lignin removal caused by disruption of the cell wall structure for releasing lignin into black liquor in the cellulose extraction. The enzymatic hydrolysis of pulp was carried out with cellulase loading of 40 FPU per g substrate in the shaking incubator at 50°C and 150 rpm for 78 h. For each 24 h, the reducing sugar yield (DNS assay) has been observed. Even though the lignin and hemicellulose loss occurred along with higher active alkali loading, this condition tends to decrease its yield. The reducing sugar concentration varied between 7-8 g/L. Increasing active alkali and sulfidity was significantly decreased the reducing sugar per biomass. Pulp delignified by 17% active alkali and 20% sulfidity has demonstrated the maximum reducing sugar yield per biomass of 45.57% resulted after 72 h enzymatic hydrolysis. These results indicated that kraft pulping was success to degrade more lignin and hemicellulose content to facilitate the enzyme for breaking down the cellulose into its sugar monomer. A high loss of lignin and hemicellulose are not single factor to improve digestibility of SSB. This sugar has potential for yeast fermented into bioethanol.

Neutral glycoconjugated amide-based calix[4]arenes: complexation of alkali metal cations in water.

PubMed

Cindro, Nikola; Požar, Josip; Barišić, Dajana; Bregović, Nikola; Pičuljan, Katarina; Tomaš, Renato; Frkanec, Leo; Tomišić, Vladislav

2018-02-07

Cation complexation in water presents a unique challenge in calixarene chemistry, mostly due to the fact that a vast majority of calixarene-based cation receptors is not soluble in water or their solubility has been achieved by introducing functionalities capable of (de)protonation. Such an approach inevitably involves the presence of counterions which compete with target cations for the calixarene binding site, and also rather often requires the use of ion-containing buffer solutions in order to control the pH. Herein we devised a new strategy towards the solution of this problem, based on introducing carbohydrate units at the lower or upper rim of calix[4]arenes which comprise efficient cation binding sites. In this context, we prepared neutral, water-soluble receptors with secondary or tertiary amide coordinating groups, and studied their complexation with alkali metal cations in aqueous and methanol (for the comparison purpose) solutions. Complexation thermodynamics was quantitatively characterized by UV spectrometry and isothermal titration calorimetry, revealing that one of the prepared tertiary amide derivatives is capable of remarkably efficient (log K ≈ 5) and selective binding of sodium cations among alkali metal cations in water. Given the ease of the synthetic procedure used, and thus the variety of accessible analogues, this study can serve as a platform for the development of reagents for diverse purposes in aqueous media.

High temperature alkali corrosion of ceramics in coal gas

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

Pickrell, G.R.; Sun, T.; Brown, J.J.

1992-02-24

The high temperature alkali corrosion kinetics of SiC have been systematically investigated from 950 to 1100[degrees]C at 0.63 vol % alkali vapor concentration. The corrosion rate in the presence of alkaliis approximately 10[sup 4] to 10[sup 5] times faster than the oxidation rate of SiC in air. The activation energy associated with the alkali corrosion is 406 kJ/mol, indicating a highly temperature-dependent reaction rate. The rate-controlling step of the overall reaction is likely to be the dissolution of silica in the sodium silicate liquid, based on the oxygen diffusivity data.

A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties

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

Wang, Jin-Hua; Tang, Gui-Mei, E-mail: meiguit@163.com; Qin, Ting-Xiao

2014-11-15

Four new metal coordination complexes, namely, [Na(BTA)]{sub n} (1), [K{sub 2}(BTA){sub 2}(μ{sub 2}-H{sub 2}O)]{sub n} (2), and [M(BTA){sub 2}(H{sub 2}O){sub 2}]{sub n} (M=Ca(II) and Sr(II) for 3 and 4, respectively) [BTA=2-(1H-benzotriazol-1-yl) acetic anion], have been obtained under hydrothermal condition, by reacting the different alkali and alkaline-earth metal hydroxides with HBTA. Complexes 1–4 were structurally characterized by X-ray single-crystal diffraction, EA, IR, PXRD, and thermogravimetry analysis (TGA). These complexes display low-dimensional features displaying various two-dimensional (2D) and one-dimensional (1D) coordination motifs. Complex 1 displays a 2D layer with the thickness of 1.5 nm and possesses a topologic structure of a 11more » nodal net with Schläfli symbol of (3{sup 18}). Complex 2 also shows a thick 2D sheet and its topologic structure is a 9 nodes with Schläfli symbol of (3{sup 11}×4{sup 2}). Complexes 3 and 4 possess a 1D linear chain and further stack via hydrogen bonding interactions to generate a three-dimensional supramolecular architecture. These results suggest that both the coordination preferences of the metal ions and the versatile nature of this flexible ligand play a critical role in the final structures. The luminescent spectra show strong emission intensities in complexes 1–4, which display violet photoluminescence. Additionally, ferroelectric, dielectric and nonlinear optic (NLO) second-harmonic generation (SHG) properties of 2 are discussed in detail. - Graphical abstract: A set of alkali and alkaline-earth metal coordination polymers were hydrothermally synthesized by 2-(1H-benzotriazol-1-yl)acetic acid, displaying interesting topologic motifs from two-dimension to one-dimension and specific physical properties. - Highlights: • Alkali and alkaline-earth metal coordination polymers have been obtained. • The ligand 2-(1H-benzotriazol-1-yl)acetic acid has been adopted. • The two-dimensional and one-dimensional structures have been observed. • The properties of second harmonic generation and ferroelectricity for complex 2.« less

Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal, solvatochromism, hirshfeld surface and DNA-binding analysis

NASA Astrophysics Data System (ADS)

Hema, M. K.; Karthik, C. S.; Warad, Ismail; Lokanath, N. K.; Zarrouk, Abdelkader; Kumara, Karthik; Pampa, K. J.; Mallu, P.

2018-04-01

Trans-[Cu(O∩O)2] complex, O∩O = 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione was reported with high potential toward CT-DNA binder. The solved XRD-structure of complex indicated a perfect regular square-planer geometry around the Cu(II) center. The trans/cis-DFT-isomerization calculation supported the XRD seen in reflecting the trans-isomer as the kinetic-favor isomer. The desired complex structure was also characterized by conductivity measurement, CHN-elemental analyses, MS, EDX, SEM, UV-Vis., FT-IR, HAS and TG/DTG. The Solvatochromism behavior of the complex was evaluated using four different polar solvents. MPE and Hirshfeld surface analysis (HSA) come to an agreement that fluoride and thiophene protons atoms are with suitable electro-potential environment to form non-classical H-bonds of type CThsbnd H⋯F. The DNA-binding properties were investigated by viscosity tests and spectrometric titrations, the results revealed the complex as strong calf-thymus DNA binder. High intrinsic-binding constants value ∼1.8 × 105 was collected.

Electrochemical cell having an alkali-metal-nitrate electrode

DOEpatents

Roche, M.F.; Preto, S.K.

1982-06-04

A power-producing secondary electrochemical cell includes a molten alkali metal as the negative-electrode material and a molten-nitrate salt as the positive-electrode material. The molten material in the respective electrodes are separated by a solid barrier of alkali-metal-ion conducting material. A typical cell includes active materials of molten sodium separated from molten sodium nitrate and other nitrates in mixture by a layer of sodium ..beta..'' alumina.

Quantification and modeling of mechanical degradation in lithium-ion batteries based on nanoscale imaging.

PubMed

Müller, Simon; Pietsch, Patrick; Brandt, Ben-Elias; Baade, Paul; De Andrade, Vincent; De Carlo, Francesco; Wood, Vanessa

2018-06-14

Capacity fade in lithium-ion battery electrodes can result from a degradation mechanism in which the carbon black-binder network detaches from the active material. Here we present two approaches to visualize and quantify this detachment and use the experimental results to develop and validate a model that considers how the active particle size, the viscoelastic parameters of the composite electrode, the adhesion between the active particle and the carbon black-binder domain, and the solid electrolyte interphase growth rate impact detachment and capacity fade. Using carbon-silicon composite electrodes as a model system, we demonstrate X-ray nano-tomography and backscatter scanning electron microscopy with sufficient resolution and contrast to segment the pore space, active particles, and carbon black-binder domain and quantify delamination as a function of cycle number. The validated model is further used to discuss how detachment and capacity fade in high-capacity materials can be minimized through materials engineering.

Alkali production in the mouth and its relationship with certain patient's characteristics.

PubMed

Gordan, Valeria Veiga; McEdward, Deborah Landry; Ottenga, Marc Edward; Garvan, Cynthia Wilson; Harris, Pearl Ann

2014-01-01

To assess the relationships among alkali production, diet, oral health behaviors, and oral hygiene. Data from 52 subjects including demographics, diet, and oral hygiene scores were analyzed against the level of arginine and urea enzymes in plaque and saliva samples. An oral habit survey was completed that included: use of tobacco (TB), alcohol (AH), sugary drinks (SD), and diet. Alkali production through arginine deiminase (ADS) and urease activities were measured in smooth-surface supragingival dental plaque and un stimulated saliva samples from all subjects. ADS and urease activities were measured by quantification of the ammonia generated from the incubation of plaque or saliva samples. Spearman correlations were used to compute all associations. Participants in the lowest SES (Socio-economic status) group had the habit of consuming sugary drinks the most and had the highest rate of tobacco use. Males consumed significantly more alcohol than females. No significant relationship was found between age or gender and alkali production. Higher rates of sugary drink consumption and tobacco use were significantly related to lower alkali production. The study showed a relationship between alkali production and oral hygiene, diet, and certain oral health behaviors. Poor oral hygiene was significantly associated with age, lower SES, tobacco use, and alcohol, and sugary drinks consumption. Clinical relevance Certain oral health behaviors have an impact on oral hygiene and on alkali production; it is important to address these factors with patients as a strategy for caries control.

Alkali- and Sulfur-Resistant Tungsten-Based Catalysts for NOx Emissions Control.

PubMed

Huang, Zhiwei; Li, Hao; Gao, Jiayi; Gu, Xiao; Zheng, Li; Hu, Pingping; Xin, Ying; Chen, Junxiao; Chen, Yaxin; Zhang, Zhaoliang; Chen, Jianmin; Tang, Xingfu

2015-12-15

The development of catalysts with simultaneous resistance to alkalis and sulfur poisoning is of great importance for efficiently controlling NOx emissions using the selective catalytic reduction of NOx with NH3 (SCR), because the conventional V2O5/WO3-TiO2 catalysts often suffer severe deactivation by alkalis. Here, we support V2O5 on a hexagonal WO3 (HWO) to develop a V2O5/HWO catalyst, which has exceptional resistance to alkali and sulfur poisoning in the SCR reactions. A 350 μmol g(-1) K(+) loading and the presence of 1,300 mg m(-3) SO2 do not almost influence the SCR activity of the V2O5/HWO catalyst, and under the same conditions, the conventional V2O5/WO3-TiO2 catalysts completely lost the SCR activity within 4 h. The strong resistance to alkali and sulfur poisoning of the V2O5/HWO catalysts mainly originates from the hexagonal structure of the HWO. The HWO allows the V2O5 to be highly dispersed on the external surfaces for catalyzing the SCR reactions and has the relatively smooth surfaces and the size-suitable tunnels specifically for alkalis' diffusion and trapping. This work provides a useful strategy to develop SCR catalysts with exceptional resistance to alkali and sulfur poisoning for controlling NOx emissions from the stationary source and the mobile source.

Enhancement of binding characteristics for production of an agglomerated product

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

Taulbee, Darrell; Hodgen, Robert

A method is provided for preparing a product from a precursor material. The method includes the steps of (a) mixing a particulate material and a binder to form a precursor material and (b) irradiating that precursor material with microwave radiation so as to activate the binder and form the product.

Ectopic Expression of GsPPCK3 and SCMRP in Medicago sativa Enhances Plant Alkaline Stress Tolerance and Methionine Content

PubMed Central

Zhao, Yang; Zhao, Chaoyue; DuanMu, Huizi; Yu, Yang; Ji, Wei; Zhu, Yanming

2014-01-01

So far, it has been suggested that phosphoenolpyruvate carboxylases (PEPCs) and PEPC kinases (PPCKs) fulfill several important non-photosynthetic functions. However, the biological functions of soybean PPCKs, especially in alkali stress response, are not yet well known. In previous studies, we constructed a Glycine soja transcriptional profile, and identified three PPCK genes (GsPPCK1, GsPPCK2 and GsPPCK3) as potential alkali stress responsive genes. In this study, we confirmed the induced expression of GsPPCK3 under alkali stress and investigated its tissue expression specificity by using quantitative real-time PCR analysis. Then we ectopically expressed GsPPCK3 in Medicago sativa and found that GsPPCK3 overexpression improved plant alkali tolerance, as evidenced by lower levels of relative ion leakage and MDA content and higher levels of chlorophyll content and root activity. In this respect, we further co-transformed the GsPPCK3 and SCMRP genes into alfalfa, and demonstrated the increased alkali tolerance of GsPPCK3-SCMRP transgenic lines. Further investigation revealed that GsPPCK3-SCMRP co-overexpression promoted the PEPC activity, net photosynthetic rate and citric acid content of transgenic alfalfa under alkali stress. Moreover, we also observed the up-regulated expression of PEPC, CS (citrate synthase), H+-ATPase and NADP-ME genes in GsPPCK3-SCMRP transgenic alfalfa under alkali stress. As expected, we demonstrated that GsPPCK3-SCMRP transgenic lines displayed higher methionine content than wild type alfalfa. Taken together, results presented in this study supported the positive role of GsPPCK3 in plant response to alkali stress, and provided an effective way to simultaneously improve plant alkaline tolerance and methionine content, at least in legume crops. PMID:24586886

Development of viscosity sensor with long period fiber grating technology

NASA Astrophysics Data System (ADS)

Lin, Jyh-Dong; Wang, Jian-Neng; Chen, Shih-Huang; Wang, Juei-Mao

2009-03-01

In this paper, we describe the development of a viscosity sensing system using a simple and low-cost long-period fiber grating (LPFG) sensor. The LPFG sensor was extremely sensitive to the refractive index of the medium surrounding the cladding surface of the sensing grating, thus allowing it to be used as an ambient index sensor or chemical concentration indicator. Viscosity can be simply defined as resistance to flow of a liquid. We have measured asphalt binder, 100-190000 centistokes, in comparison with optical sensing results. The system sensing asphalt binders exhibited increase trend in the resonance wavelength shift when the refractive index of the medium changed. The prototype sensor consisted of a LPFG sensing component and a cone-shaped reservoir where gravitational force can cause asphalt binders flow through the capillary. Thus the measured time for a constant volume of asphalt binders can be converted into either absolute or kinematic viscosity. In addition, a rotational viscometer and a dynamic shear rheometer were also used to evaluate the viscosity of this liquid, the ratio between the applied shear stress and rate of shear, as well as the viscoelastic property including complex shear modulus and phase angle. The measured time could be converted into viscosity of asphalt binder based on calculation. This simple LPFG viscosity sensing system is hopefully expected to benefit the viscosity measurement for the field of civil, mechanical and aerospace engineering.

Environment-friendly cathodes using biopolymer chitosan with enhanced electrochemical behavior for use in lithium ion batteries.

PubMed

Prasanna, K; Subburaj, T; Jo, Yong Nam; Lee, Won Jong; Lee, Chang Woo

2015-04-22

The biopolymer chitosan has been investigated as a potential binder for the fabrication of LiFePO4 cathode electrodes in lithium ion batteries. Chitosan is compared to the conventional binder, polyvinylidene fluoride (PVDF). Dispersion of the active material, LiFePO4, and conductive agent, Super P carbon black, is tested using a viscosity analysis. The enhanced structural and morphological properties of chitosan are compared to the PVDF binder using X-ray diffraction analysis (XRD) and field emission scanning electron microscopy (FE-SEM). Using an electrochemical impedance spectroscopy (EIS) analysis, the LiFePO4 electrode with the chitosan binder is observed to have a high ionic conductivity and a smaller increase in charge transfer resistance based on time compared to the LiFePO4 electrode with the PVDF binder. The electrode with the chitosan binder also attains a higher discharge capacity of 159.4 mAh g(-1) with an excellent capacity retention ratio of 98.38% compared to the electrode with the PVDF binder, which had a discharge capacity of 127.9 mAh g(-1) and a capacity retention ratio of 85.13%. Further, the cycling behavior of the chitosan-based electrode is supported by scrutinizing its charge-discharge behavior at specified intervals and by a plot of dQ/dV.

Conductivity degradation of polyvinylidene fluoride composite binder during cycling: Measurements and simulations for lithium-ion batteries

DOE PAGES

Grillet, Anne M.; Humplik, Thomas; Stirrup, Emily K.; ...

2016-07-02

The polymer-composite binder used in lithium-ion battery electrodes must both hold the electrodes together and augment their electrical conductivity while subjected to mechanical stresses caused by active material volume changes due to lithiation and delithiation. We have discovered that cyclic mechanical stresses cause significant degradation in the binder electrical conductivity. After just 160 mechanical cycles, the conductivity of polyvinylidene fluoride (PVDF):carbon black binder dropped between 45–75%. This degradation in binder conductivity has been shown to be quite general, occurring over a range of carbon black concentrations, with and without absorbed electrolyte solvent and for different polymer manufacturers. Mechanical cycling ofmore » lithium cobalt oxide (LiCoO2) cathodes caused a similar degradation, reducing the effective electrical conductivity by 30–40%. Mesoscale simulations on a reconstructed experimental cathode geometry predicted the binder conductivity degradation will have a proportional impact on cathode electrical conductivity, in qualitative agreement with the experimental measurements. Lastly, ohmic resistance measurements were made on complete batteries. Direct comparisons between electrochemical cycling and mechanical cycling show consistent trends in the conductivity decline. This evidence supports a new mechanism for performance decline of rechargeable lithium-ion batteries during operation – electrochemically-induced mechanical stresses that degrade binder conductivity, increasing the internal resistance of the battery with cycling.« less

Polymeric Selectin Ligands Mimicking Complex Carbohydrates: From Selectin Binders to Modifiers of Macrophage Migration.

PubMed

Moog, Kai E; Barz, Matthias; Bartneck, Matthias; Beceren-Braun, Figen; Mohr, Nicole; Wu, Zhuojun; Braun, Lydia; Dernedde, Jens; Liehn, Elisa A; Tacke, Frank; Lammers, Twan; Kunz, Horst; Zentel, Rudolf

2017-01-24

Novel polymeric cell adhesion inhibitors were developed in which the selectin tetrasaccharide sialyl-Lewis X (SLe X ) is multivalently presented on a biocompatible poly(2-hydroxypropyl)methacrylamide (PHPMA) backbone either alone (P1) or in combination with O-sulfated tyramine side chains (P2). For comparison, corresponding polymeric glycomimetics were prepared in which the crucial "single carbohydrate" substructures fucose, galactose, and sialic acid side chains were randomly linked to the PHPMA backbone (P3 or P4 (O-sulfated tyramine)). All polymers have an identical degree of polymerization, as they are derived from the same precursor polymer. Binding assays to selectins, to activated endothelial cells, and to macrophages show that polyHPMA with SLe X is an excellent binder to E-, L-, and P-selectins. However, mimetic P4 can also achieve close to comparable binding affinities in in vitro measurements and surprisingly, it also significantly inhibits the migration of macrophages; this provides new perspectives for the therapy of severe inflammatory diseases. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transversely diode-pumped alkali metal vapour laser

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

Parkhomenko, A I; Shalagin, A M

2015-09-30

We have studied theoretically the operation of a transversely diode-pumped alkali metal vapour laser. For the case of high-intensity laser radiation, we have obtained an analytical solution to a complex system of differential equations describing the laser. This solution allows one to exhaustively determine all the energy characteristics of the laser and to find optimal parameters of the working medium and pump radiation (temperature, buffer gas pressure, and intensity and width of the pump spectrum). (lasers)

Separation and characterization of lignin from bio-ethanol production residue.

PubMed

Guo, Guowan; Li, Shujun; Wang, Lu; Ren, Shixue; Fang, Guizhen

2013-05-01

In order to develop an adequate method to separate lignin from bio-ethanol production residue, solvent extraction was conducted by using benzyl alcohol, dioxane and ethanol. Compared to the conventional alkali-solution and acid-isolation method, benzyl alcohol and dioxane extraction could reach higher lignin yield of 71.55% and 74.14% respectively. FTIR and XRD analysis results indicate that sodium hydroxide solution dissolved most of the lignin in the raw material. However, the low lignin yield by this method may be attributed to the products loss during the complex separation process. GPC and (1)H NMR results revealed that the dioxane-lignin had closer molecular weight with alkali-lignin, lower S/G ratio (0.22) and higher OHPh/OHAl ratio (0.45) with respect to benzyl alcohol-lignin. The results divulge that the lignin products separated from bio-ethanol production residue by dioxane extraction had fairly potential application with better chemical activity. Copyright © 2012 Elsevier Ltd. All rights reserved.

The nature of the MDI/wood bond

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

Marcinko, J.J.; Phanopoulos, C.; Newman, W.H.

1995-12-01

Polymeric diphenylmethane diisocyanate (pMDI) binders have been used in the wood composite industry for 20 years. Almost one half of the oriented strand board (OSB) manufactures in North America are taking advantage of its processing speed and superior board performance. MDI`s current use in Strandboard, MDF (medium density fiber board), LVL (laminated veneer lumber), Plywood, and Particleboard is wide spread. A fundamental understanding of the role of MIDI as a binder in these complex composites is essential for further processing optimization. Experimental data is presented which investigates the nature of the chemical bonding in wood composites. Solid state nuclear magneticmore » resonance (NMR) data is combined with data from thermal analysis and fluorescence microscopy to investigate the chemistry, penetration, and morphology of the isocyanate/wood interphase. Structure property relationships are developed and related to composite performance. The study contrasts isocyanate and phenol formaldehyde binder systems.« less

New U Pb SHRIMP zircon age for the Schurwedraai alkali granite: Implications for pre-impact development of the Vredefort Dome and extent of Bushveld magmatism, South Africa

NASA Astrophysics Data System (ADS)

Graham, I. T.; De Waal, S. A.; Armstrong, R. A.

2005-12-01

The Schurwedraai alkali granite is one of a number of prominent ultramafic-mafic and felsic intrusions in the Neoarchaean to Palaeoproterozoic sub-vertical supracrustal collar rocks of the Vredefort Dome, South Africa. The alkali granite intruded the Neoarchaean Witwatersrand Supergroup and has a peralkaline to peraluminous composition. A new zircon SHRIMP crystallization age of 2052 ± 14 Ma for the Schurwedraai alkali granite places it statistically before the Vredefort impact event at 2023 ± 4 Ma and within the accepted emplacement interval of 2050-2060 Ma of the Bushveld magmatic event. The presence of the alkali granite and associated small ultramafic-mafic intrusions in the Vredefort collar rocks extends the southern extremity of Bushveld-related intrusions to some 120 km south of Johannesburg and about 150 km south of the current outcrop area of the Bushveld Complex. The combined effect of these ultramafic-mafic and felsic bodies may have contributed to a pronouncedly steep pre-impact geothermal gradient in the Vredefort area, and to the amphibolite-grade metamorphism observed in the supracrustal collar rocks of the Vredefort Dome.

Alkali metal cation complexation by 1,3-alternate, mono-ionisable calix[4]arene-benzocrown-6 compounds

DOE PAGES

Surowiec, Malgorzata A.; Custelcean, Radu; Surowiec, Kazimierz; ...

2014-04-23

Alkali metal cation extraction behavior for two series of 1,3-alternate, mono-ionizable calix[4]arene-benzocrown-6 compounds is examined. In Series 1, the proton-ionizable group is a substituent on the benzo group of the polyether ring that directs it away from the crown ether cavity. In Series 2, the proton-ionizable group is attached to one para position in the calixarene framework, thus positioning it over the crown ether ring. Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform shows high Cs+ efficiency and selectivity. Single-species extraction pH profiles of Cs+ for Series 1 and 2 ligands with the same proton-ionizable groupmore » are very similar. Thus, association of Cs+ with the calixcrown ring is more important than the the proton-ionizable group’s position in relation to the crown ether cavity. Solid-state structures are presented for two unionized ligands from Series 2, as is a crystal containing two different ionized ligand–Cs+ complexes.« less

Binding of Alkali Metal Ions with 1,3,5-Tri(phenyl)benzene and 1,3,5-Tri(naphthyl)benzene: The Effect of Phenyl and Naphthyl Ring Substitution on Cation-π Interactions Revealed by DFT Study.

PubMed

Mirchi, Ali; Sizochenko, Natalia; Dinadayalane, Tandabany; Leszczynski, Jerzy

2017-11-22

The effect of substitution of phenyl and naphthyl rings to benzene was examined to elucidate the cation-π interactions involving alkali metal ions with 1,3,5-tri(phenyl)benzene (TPB) and 1,3,5-tri(naphthyl)benzene (TNB). Benzene, TPB, and four TNB isomers (with ααα, ααβ, αββ, and βββ types of fusion) and their complexes with Li + , Na + , K + , Rb + , and Cs + were optimized using DFT approach with B3LYP and M06-2X functionals in conjunction with the def2-QZVP basis set. Higher relative stability of β,β,β-TNB over α,α,α-TNB can be attributed to peri repulsion, which is defined as the nonbonding repulsive interaction between substituents in the 1- and the 8-positions on the naphthalene core. Binding energies, distances between ring centroid and the metal ions, and the distance to metal ions from the center of other six-membered rings were compared for all complexes. Our computational study reveals that the binding affinity of alkali metal cations increases significantly with the 1,3,5-trisubstitution of phenyl and naphthyl rings to benzene. The detailed computational analyses of geometries, partial charges, binding energies, and ligand organization energies reveal the possibility of favorable C-H···M + interactions when a α-naphthyl group exists in complexes of TNB structures. Like benzene-alkali metal ion complexes, the binding affinity of metal ions follows the order: Li + > Na + > K + > Rb + > Cs + for any considered 1,3,5-trisubstituted benzene systems. In case of TNB, we found that the strength of interactions increases as the fusion point changes from α to β position of naphthalene.

Riftogenic magmatism of western part of the Early Mesozoic Mongolian-Transbaikalian igneous province: Results of geochronological studies

NASA Astrophysics Data System (ADS)

Yarmolyuk, V. V.; Kozlovsky, A. M.; Salnikova, E. B.; Travin, A. V.; Kudryashova, E. A.

2017-08-01

Geochronological studies of rocks from a bimodal high-alkali volcanic-plutonic complex collected in the area of Kharkhorin zone of the Early Mesozoic Mongolian-Transbaikalian igneous province (MTIP) are made. The age of alkali granites from Olziit sum is 211 ± 1 Ma (U-Pb ID-TIMS on zircon) to 209 ± 2 and 217 ± 4 Ma (40Ar/39Ar on alkali amphibole); the age of alkali granite-porphyries from the area of Sant sum is 206 ± 1 Ma (U-Pb ID-TIMS on zircon). These rock series formed syncronously to the analogous magmatism episode in the Northern Gobi and Western Transbaikalian rift zones of the MTIP. The similarity of the age and composition of igneous associations of the MTIP suggests a common mechanism of its formation related to the effect of a mantle plume on the continental lithosphere at the base of the entire igneous zone having a zonal structure.

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2.

PubMed

Maitra, Urmimala; House, Robert A; Somerville, James W; Tapia-Ruiz, Nuria; Lozano, Juan G; Guerrini, Niccoló; Hao, Rong; Luo, Kun; Jin, Liyu; Pérez-Osorio, Miguel A; Massel, Felix; Pickup, David M; Ramos, Silvia; Lu, Xingye; McNally, Daniel E; Chadwick, Alan V; Giustino, Feliciano; Schmitt, Thorsten; Duda, Laurent C; Roberts, Matthew R; Bruce, Peter G

2018-03-01

The search for improved energy-storage materials has revealed Li- and Na-rich intercalation compounds as promising high-capacity cathodes. They exhibit capacities in excess of what would be expected from alkali-ion removal/reinsertion and charge compensation by transition-metal (TM) ions. The additional capacity is provided through charge compensation by oxygen redox chemistry and some oxygen loss. It has been reported previously that oxygen redox occurs in O 2p orbitals that interact with alkali ions in the TM and alkali-ion layers (that is, oxygen redox occurs in compounds containing Li + -O(2p)-Li + interactions). Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 exhibits an excess capacity and here we show that this is caused by oxygen redox, even though Mg 2+ resides in the TM layers rather than alkali-metal (AM) ions, which demonstrates that excess AM ions are not required to activate oxygen redox. We also show that, unlike the alkali-rich compounds, Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 does not lose oxygen. The extraction of alkali ions from the alkali and TM layers in the alkali-rich compounds results in severely underbonded oxygen, which promotes oxygen loss, whereas Mg 2+ remains in Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 , which stabilizes oxygen.

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2

NASA Astrophysics Data System (ADS)

Maitra, Urmimala; House, Robert A.; Somerville, James W.; Tapia-Ruiz, Nuria; Lozano, Juan G.; Guerrini, Niccoló; Hao, Rong; Luo, Kun; Jin, Liyu; Pérez-Osorio, Miguel A.; Massel, Felix; Pickup, David M.; Ramos, Silvia; Lu, Xingye; McNally, Daniel E.; Chadwick, Alan V.; Giustino, Feliciano; Schmitt, Thorsten; Duda, Laurent C.; Roberts, Matthew R.; Bruce, Peter G.

2018-03-01

The search for improved energy-storage materials has revealed Li- and Na-rich intercalation compounds as promising high-capacity cathodes. They exhibit capacities in excess of what would be expected from alkali-ion removal/reinsertion and charge compensation by transition-metal (TM) ions. The additional capacity is provided through charge compensation by oxygen redox chemistry and some oxygen loss. It has been reported previously that oxygen redox occurs in O 2p orbitals that interact with alkali ions in the TM and alkali-ion layers (that is, oxygen redox occurs in compounds containing Li+-O(2p)-Li+ interactions). Na2/3[Mg0.28Mn0.72]O2 exhibits an excess capacity and here we show that this is caused by oxygen redox, even though Mg2+ resides in the TM layers rather than alkali-metal (AM) ions, which demonstrates that excess AM ions are not required to activate oxygen redox. We also show that, unlike the alkali-rich compounds, Na2/3[Mg0.28Mn0.72]O2 does not lose oxygen. The extraction of alkali ions from the alkali and TM layers in the alkali-rich compounds results in severely underbonded oxygen, which promotes oxygen loss, whereas Mg2+ remains in Na2/3[Mg0.28Mn0.72]O2, which stabilizes oxygen.

Involvement of the exomer complex in the polarized transport of Ena1 required for Saccharomyces cerevisiae survival against toxic cations

PubMed Central

Anton, Carlos; Zanolari, Bettina; Arcones, Irene; Wang, Congwei; Mulet, Jose Miguel; Spang, Anne; Roncero, Cesar

2017-01-01

Exomer is an adaptor complex required for the direct transport of a selected number of cargoes from the trans-Golgi network (TGN) to the plasma membrane in Saccharomyces cerevisiae. However, exomer mutants are highly sensitive to increased concentrations of alkali metal cations, a situation that remains unexplained by the lack of transport of any known cargoes. Here we identify several HAL genes that act as multicopy suppressors of this sensitivity and are connected to the reduced function of the sodium ATPase Ena1. Furthermore, we find that Ena1 is dependent on exomer function. Even though Ena1 can reach the plasma membrane independently of exomer, polarized delivery of Ena1 to the bud requires functional exomer. Moreover, exomer is required for full induction of Ena1 expression after cationic stress by facilitating the plasma membrane recruitment of the molecular machinery involved in Rim101 processing and activation of the RIM101 pathway in response to stress. Both the defective localization and the reduced levels of Ena1 contribute to the sensitivity of exomer mutants to alkali metal cations. Our work thus expands the spectrum of exomer-dependent proteins and provides a link to a more general role of exomer in TGN organization. PMID:29021337

Strength and Durability Performance of Alkali-Activated Rice Husk Ash Geopolymer Mortar

PubMed Central

Kim, Yun Yong; Lee, Byung-Jae; Saraswathy, Velu

2014-01-01

This paper describes the experimental investigation carried out to develop the geopolymer concrete based on alkali-activated rice husk ash (RHA) by sodium hydroxide with sodium silicate. Effect on method of curing and concentration of NaOH on compressive strength as well as the optimum mix proportion of geopolymer mortar was investigated. It is possible to achieve compressive strengths of 31 N/mm2 and 45 N/mm2, respectively for the 10 M alkali-activated geopolymer mortar after 7 and 28 days of casting when cured for 24 hours at 60°C. Results indicated that the increase in curing period and concentration of alkali activator increased the compressive strength. Durability studies were carried out in acid and sulfate media such as H2SO4, HCl, Na2SO4, and MgSO4 environments and found that geopolymer concrete showed very less weight loss when compared to steam-cured mortar specimens. In addition, fluorescent optical microscopy and X-ray diffraction (XRD) studies have shown the formation of new peaks and enhanced the polymerization reaction which is responsible for strength development and hence RHA has great potential as a substitute for ordinary Portland cement concrete. PMID:25506063

Strength and durability performance of alkali-activated rice husk ash geopolymer mortar.

PubMed

Kim, Yun Yong; Lee, Byung-Jae; Saraswathy, Velu; Kwon, Seung-Jun

2014-01-01

This paper describes the experimental investigation carried out to develop the geopolymer concrete based on alkali-activated rice husk ash (RHA) by sodium hydroxide with sodium silicate. Effect on method of curing and concentration of NaOH on compressive strength as well as the optimum mix proportion of geopolymer mortar was investigated. It is possible to achieve compressive strengths of 31 N/mm(2) and 45 N/mm(2), respectively for the 10 M alkali-activated geopolymer mortar after 7 and 28 days of casting when cured for 24 hours at 60°C. Results indicated that the increase in curing period and concentration of alkali activator increased the compressive strength. Durability studies were carried out in acid and sulfate media such as H2SO4, HCl, Na2SO4, and MgSO4 environments and found that geopolymer concrete showed very less weight loss when compared to steam-cured mortar specimens. In addition, fluorescent optical microscopy and X-ray diffraction (XRD) studies have shown the formation of new peaks and enhanced the polymerization reaction which is responsible for strength development and hence RHA has great potential as a substitute for ordinary Portland cement concrete.

Unified mechanism of alkali and alkaline earth catalyzed gasification reactions of carbon by CO2 and H2O

USGS Publications Warehouse

Chen, S.G.; Yang, R.T.

1997-01-01

From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed and catalyzed by alkali and alkaline earth catalysts. In this mechanism, there are two types of oxygen intermediates that are bonded to the active edge carbon atoms: an in-plane semiquinone type, Cf(O), and an off-plane oxygen bonded to two saturated carbon atoms that are adjacent to the semiquinone species, C(O)Cf(O). The rate-limiting step is the decomposition of these intermediates by breaking the C-C bonds that are connected to Cf(O). A new rate equation is derived for the uncatalyzed reactions, and that for the catalyzed reactions is readily available from the proposed mechanism. The proposed mechanism can account for several unresolved experimental observations: TPD and TK (transient kinetics) desorption results of the catalyzed systems, the similar activation energies for the uncatalyzed and catalyzed reactions, and the relative activities of the alkali and alkaline earth elements. The net charge of the edge carbon active site is substantially changed by gaining electron density from the alkali or alkaline earth element (by forming C-O-M, where M stands for metal). The relative catalytic activities of these elements can be correlated with their abilities of donating electrons and changing the net charge of the edge carbon atom. As shown previously (Chen, S. G.; Yang, R. T. J. Catal. 1993, 141, 102), only clusters of the alkali compounds are active. This derives from the ability of the clusters to dissociate CO2 and H2O to form O atoms and the mobility of the dissociated O atoms facilitated by the clusters.

Knowledge-based grouping of modeled HLA peptide complexes.

PubMed

Kangueane, P; Sakharkar, M K; Lim, K S; Hao, H; Lin, K; Chee, R E; Kolatkar, P R

2000-05-01

Human leukocyte antigens are the most polymorphic of human genes and multiple sequence alignment shows that such polymorphisms are clustered in the functional peptide binding domains. Because of such polymorphism among the peptide binding residues, the prediction of peptides that bind to specific HLA molecules is very difficult. In recent years two different types of computer based prediction methods have been developed and both the methods have their own advantages and disadvantages. The nonavailability of allele specific binding data restricts the use of knowledge-based prediction methods for a wide range of HLA alleles. Alternatively, the modeling scheme appears to be a promising predictive tool for the selection of peptides that bind to specific HLA molecules. The scoring of the modeled HLA-peptide complexes is a major concern. The use of knowledge based rules (van der Waals clashes and solvent exposed hydrophobic residues) to distinguish binders from nonbinders is applied in the present study. The rules based on (1) number of observed atomic clashes between the modeled peptide and the HLA structure, and (2) number of solvent exposed hydrophobic residues on the modeled peptide effectively discriminate experimentally known binders from poor/nonbinders. Solved crystal complexes show no vdW Clash (vdWC) in 95% cases and no solvent exposed hydrophobic peptide residues (SEHPR) were seen in 86% cases. In our attempt to compare experimental binding data with the predicted scores by this scoring scheme, 77% of the peptides are correctly grouped as good binders with a sensitivity of 71%.

Negative Electrode For An Alkaline Cell

DOEpatents

Coco, Isabelle; Cocciantelli, Jean-Michel; Villenave, Jean-Jacques

1998-07-14

The present invention concerns a negative electrode for an alkaline cell, comprising a current collector supporting a paste containing an electrochemically active material and a binder, characterized in that said binder is a polymer containing hydrophilic and hydrophobic groups, said polymer being selected from an acrylic homopolymer, copolymer and terpolymer, an unsaturated organic acid copolymer and an unsaturated acid anhydride copolymer.

Rapid screening of transferrin-binders in the flowers of Bauhinia blakeana Dunn by on-line high-performance liquid chromatography-diode-array detector-electrospray ionization-ion-trap-time-of-flight-mass spectrometry-transferrin-fluorescence detection system.

PubMed

Liu, Meixian; Dong, Jing; Lin, Zongtao; Niu, Yanyan; Zhang, Xiaotian; Jiang, Haixiu; Guo, Ning; Li, Wei; Wang, Hong; Chen, Shizhong

2016-06-10

Transferrin (Transferrin, TRF, TF) has drawn increasing attention in cancer therapy due to its potential applications in drug delivery. TF receptor, highly expressed in tumor cells, recognizes and transports Fe(3+)-TF into cells to release iron into cytoplasm. Thus, discovering TF-binding compounds has become an active research area and is of great importance for target therapy. In this study, an on-line analysis method was established for screening TF-binding compounds from the flowers of Bauhinia blakeana Dunn using a high-performance liquid chromatography-diode-array detector-multi-stage mass spectrometry-transferrin-fluorescence detector (HPLC-DAD-MS(n)-TF-FLD) method. As a result, 33 of 80 identified or tentatively characterized compounds in the sample were TF-binding active. Twenty-five flavonol glycosides and eight phenolic acids were identified as TF-binders. Twelve of these active compounds together with six standard compounds were used to study the dose-response effects and structure-activity relationships of flavonoids and phenolic acids. The method was validated by vitexin with a good linearity in the range of concentrations used in the study. The limit of detection for vitexin was 0.1596 nmol. Our study indicated that the established method is simple, rapid and sensitive for screening TF-binding active compounds in the extract of Bauhinia blakeana Dunn, and therefore is important for discovering potential anti-cancer ingredients from complex samples for TF related drug delivery. Copyright © 2016 Elsevier B.V. All rights reserved.

The Discovery of Crown Ethers

NASA Astrophysics Data System (ADS)

Pedersen, Charles J.

1988-07-01

The discovery of the crown ethers stemmed from efforts to control the catalytic activity of vanadium and copper by complexation with multidentate ligands. The first crown ether, 2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclo-octadeca-2,11-diene, was obtained in 0.4% yield during an attempt to prepare a phenolic ligand from catechol and bis(2-chloroethyl)ether. This compound, which complexed with the sodium cation, was the first compound known to display such activity and became known as dibenzo-18-crown-6, an 18-atom heterocycle containing 6 oxygen atoms. Some 60 related compounds were made involving heterocyclic rings containing 12 to 60 atoms including 4 and 10 oxygen atoms. There are optimum polyether ring sizes for the different alkali metal cations: 15 to 18 for sodium, 18 for potassium, and 18 to 21 for cesium. Complexes having polyether to cation ratios of 1:1, 3:2, and 2:1 were prepared. Solubilization of inorganic salts in aprotic solvents, especially by saturated crown ethers, was demonstrated.

Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

PubMed

Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

2018-05-16

In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

Effect of Binder Architecture on the Performance of Silicon/Graphite Composite Anodes for Lithium Ion Batteries

DOE PAGES

Cao, Peng-Fei; Naguib, Michael; Du, Zhijia; ...

2018-01-04

Although significant progress has been made in improving cycling performance of silicon-based electrodes, few studies have been performed on the architecture effect on polymer binder performance for lithium-ion batteries. A systematic study on the relationship between polymer architectures and binder performance is especially useful in designing synthetic polymer binders. In this paper, a graft block copolymer with readily tunable architecture parameters is synthesized and tested as the polymer binder for the high-mass loading silicon (15 wt %)/graphite (73 wt %) composite electrode (active materials >2.5 mg/cm 2). With the same chemical composition and functional group ratio, the graft block copolymermore » reveals improved cycling performance in both capacity retention (495 mAh/g vs 356 mAh/g at 100th cycle) and Coulombic efficiency (90.3% vs 88.1% at first cycle) than the physical mixing of glycol chitosan (GC) and lithium polyacrylate (LiPAA). Galvanostatic results also demonstrate the significant impacts of different architecture parameters of graft copolymers, including grafting density and side chain length, on their ultimate binder performance. Finally, by simply changing the side chain length of GC-g-LiPAA, the retaining delithiation capacity after 100 cycles varies from 347 mAh/g to 495 mAh/g.« less

Effect of Binder Architecture on the Performance of Silicon/Graphite Composite Anodes for Lithium Ion Batteries

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

Cao, Peng-Fei; Naguib, Michael; Du, Zhijia

Although significant progress has been made in improving cycling performance of silicon-based electrodes, few studies have been performed on the architecture effect on polymer binder performance for lithium-ion batteries. A systematic study on the relationship between polymer architectures and binder performance is especially useful in designing synthetic polymer binders. In this paper, a graft block copolymer with readily tunable architecture parameters is synthesized and tested as the polymer binder for the high-mass loading silicon (15 wt %)/graphite (73 wt %) composite electrode (active materials >2.5 mg/cm 2). With the same chemical composition and functional group ratio, the graft block copolymermore » reveals improved cycling performance in both capacity retention (495 mAh/g vs 356 mAh/g at 100th cycle) and Coulombic efficiency (90.3% vs 88.1% at first cycle) than the physical mixing of glycol chitosan (GC) and lithium polyacrylate (LiPAA). Galvanostatic results also demonstrate the significant impacts of different architecture parameters of graft copolymers, including grafting density and side chain length, on their ultimate binder performance. Finally, by simply changing the side chain length of GC-g-LiPAA, the retaining delithiation capacity after 100 cycles varies from 347 mAh/g to 495 mAh/g.« less

A-type granite and the Red Sea opening

USGS Publications Warehouse

Coleman, R.G.; DeBari, S.; Peterman, Z.

1992-01-01

Miocene-Oligocene A-type granite intrudes the eastern side of the Red Sea margin within the zone of extension from Jiddah, Saudi Arabia south to Yemen. The intrusions developed in the early stages of continental extension as Arabia began to move slowly away from Africa (around 30-20 Ma). Within the narrow zone of extension silicic magmas formed dikes, sills, small plutons and extrusive equivalents. In the Jabal Tirf area of Saudi Arabia these rocks occur in an elongate zone consisting of late Precambrian basement to the east, which is gradually invaded by mafic dikes. The number of dikes increases westward until an igneous complex is produced parallel to the present Red Sea axis. The Jabal Tirf igneous complex consists of diabase and rhyolite-granophyre sills (20-24 Ma). Although these are intrusine intrusive rocks their textures indicate shallow depths of intrusion (< 1 km). To the south, in the Yemen, contemporaneous with alkali basaltic eruptions (26-30 Ma) and later silicic eruptions, small plutons, dikes, and stocks of alkali granite invaded thick (1500 m) volcanic series, at various levels and times. Erosion within the uplifted margin of Yemen suggests that the maximum depth of intrusion was less than 1-2 km. Granophyric intrusions (20-30 Ma) within mafic dike swarms similar to the Jabal Tirf complex are present along the western edge of the Yemen volcanic plateau, marking a north-south zone of continental extension. The alkali granites of Yemen consist primarily of perthitic feldspar and quartz with some minor alkali amphiboles and acmite. These granites represent water-poor, hypersolvus magmas generated from parent alkali basalt magmas. The granophyric, two-feldspar granites associated with the mafic dike swarms and layered gabbros formed by fractional crystallization from tholeiitic basalt parent developed in the early stages of extension. Initial 87Sr/86Sr ratios of these rocks and their bulk chemistry indicate that production of peralkaline and metaluminous granitic magmas involved both fractio??nation and partial melting as they ascended through the late Precambrian crust of the Arabian plate. ?? 1992.

Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal

PubMed Central

2017-01-01

Hydrogenation reactions can be used to store energy in chemical bonds, and if these reactions are reversible, that energy can be released on demand. Some of the most effective transition metal catalysts for CO2 hydrogenation have featured pyridin-2-ol-based ligands (e.g., 6,6′-dihydroxybipyridine (6,6′-dhbp)) for both their proton-responsive features and for metal–ligand bifunctional catalysis. We aimed to compare bidentate pyridin-2-ol based ligands with a new scaffold featuring an N-heterocyclic carbene (NHC) bound to pyridin-2-ol. Toward this aim, we have synthesized a series of [Cp*Ir(NHC-pyOR)Cl]OTf complexes where R = tBu (1), H (2), or Me (3). For comparison, we tested analogous bipy-derived iridium complexes as catalysts, specifically [Cp*Ir(6,6′-dxbp)Cl]OTf, where x = hydroxy (4Ir) or methoxy (5Ir); 4Ir was reported previously, but 5Ir is new. The analogous ruthenium complexes were also tested using [(η6-cymene)Ru(6,6′-dxbp)Cl]OTf, where x = hydroxy (4Ru) or methoxy (5Ru); 4Ru and 5Ru were both reported previously. All new complexes were fully characterized by spectroscopic and analytical methods and by single-crystal X-ray diffraction for 1, 2, 3, 5Ir, and for two [Ag(NHC-pyOR)2]OTf complexes 6 (R = tBu) and 7 (R = Me). The aqueous catalytic studies of both CO2 hydrogenation and formic acid dehydrogenation were performed with catalysts 1–5. In general, NHC-pyOR complexes 1–3 were modest precatalysts for both reactions. NHC complexes 1–3 all underwent transformations under basic CO2 hydrogenation conditions, and for 3, we trapped a product of its transformation, 3SP, which we characterized crystallographically. For CO2 hydrogenation with base and dxbp-based catalysts, we observed that x = hydroxy (4Ir) is 5–8 times more active than x = methoxy (5Ir). Notably, ruthenium complex 4Ru showed 95% of the activity of 4Ir. For formic acid dehydrogenation, the trends were quite different with catalytic activity showing 4Ir ≫ 4Ru and 4Ir ≈ 5Ir. Secondary coordination sphere effects are important under basic hydrogenation conditions where the OH groups of 6,6′-dhbp are deprotonated and alkali metals can bind and help to activate CO2. Computational DFT studies have confirmed these trends and have been used to study the mechanisms of both CO2 hydrogenation and formic acid dehydrogenation. PMID:29540958

Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal.

PubMed

Siek, Sopheavy; Burks, Dalton B; Gerlach, Deidra L; Liang, Guangchao; Tesh, Jamie M; Thompson, Courtney R; Qu, Fengrui; Shankwitz, Jennifer E; Vasquez, Robert M; Chambers, Nicole; Szulczewski, Gregory J; Grotjahn, Douglas B; Webster, Charles Edwin; Papish, Elizabeth T

2017-03-27

Hydrogenation reactions can be used to store energy in chemical bonds, and if these reactions are reversible, that energy can be released on demand. Some of the most effective transition metal catalysts for CO 2 hydrogenation have featured pyridin-2-ol-based ligands (e.g., 6,6'-dihydroxybipyridine (6,6'-dhbp)) for both their proton-responsive features and for metal-ligand bifunctional catalysis. We aimed to compare bidentate pyridin-2-ol based ligands with a new scaffold featuring an N -heterocyclic carbene (NHC) bound to pyridin-2-ol. Toward this aim, we have synthesized a series of [Cp*Ir(NHC-py OR )Cl]OTf complexes where R = t Bu ( 1 ), H ( 2 ), or Me ( 3 ). For comparison, we tested analogous bipy-derived iridium complexes as catalysts, specifically [Cp*Ir(6,6'-dxbp)Cl]OTf, where x = hydroxy ( 4 Ir ) or methoxy ( 5 Ir ); 4 Ir was reported previously, but 5 Ir is new. The analogous ruthenium complexes were also tested using [(η 6 -cymene)Ru(6,6'-dxbp)Cl]OTf, where x = hydroxy ( 4 Ru ) or methoxy ( 5 Ru ); 4 Ru and 5 Ru were both reported previously. All new complexes were fully characterized by spectroscopic and analytical methods and by single-crystal X-ray diffraction for 1 , 2 , 3 , 5 Ir , and for two [Ag(NHC-py OR ) 2 ]OTf complexes 6 (R = t Bu) and 7 (R = Me). The aqueous catalytic studies of both CO 2 hydrogenation and formic acid dehydrogenation were performed with catalysts 1 - 5 . In general, NHC-py OR complexes 1 - 3 were modest precatalysts for both reactions. NHC complexes 1 - 3 all underwent transformations under basic CO 2 hydrogenation conditions, and for 3 , we trapped a product of its transformation, 3 SP , which we characterized crystallographically. For CO 2 hydrogenation with base and dxbp-based catalysts, we observed that x = hydroxy ( 4 Ir ) is 5-8 times more active than x = methoxy ( 5 Ir ). Notably, ruthenium complex 4 Ru showed 95% of the activity of 4 Ir . For formic acid dehydrogenation, the trends were quite different with catalytic activity showing 4 Ir ≫ 4 Ru and 4 Ir ≈ 5 Ir . Secondary coordination sphere effects are important under basic hydrogenation conditions where the OH groups of 6,6'-dhbp are deprotonated and alkali metals can bind and help to activate CO 2 . Computational DFT studies have confirmed these trends and have been used to study the mechanisms of both CO 2 hydrogenation and formic acid dehydrogenation.

Mussel-Inspired Conductive Polymer Binder for Si-Alloy Anode in Lithium-Ion Batteries

DOE PAGES

Zhao, Hui; Wei, Yang; Wang, Cheng; ...

2018-01-15

The excessive volume changes during cell cycling of Si-based anode in lithium ion batteries impeded its application. One major reason for the cell failure is particle isolation during volume shrinkage in delithiation process, which makes strong adhesion between polymer binder and anode active material particles a highly desirable property. Here, a biomimetic side-chain conductive polymer incorporating catechol, a key adhesive component of the mussel holdfast protein, was synthesized. Atomic force microscopy-based single-molecule force measurements of mussel-inspired conductive polymer binder contacting a silica surface revealed a similar adhesion toward substrate when compared with an effective Si anode binder, homo-poly(acrylic acid), withmore » the added benefit of being electronically conductive. Electrochemical experiments showed a very stable cycling of Si-alloy anodes realized via this biomimetic conducting polymer binder, leading to a high loading Si anode with a good rate performance. We attribute the ability of the Si-based anode to tolerate the volume changes during cycling to the excellent mechanical integrity afforded by the strong interfacial adhesion of the biomimetic conducting polymer.« less

Rational design of binder-free noble metal/metal oxide arrays with nanocauliflower structure for wide linear range nonenzymatic glucose detection

PubMed Central

Li, Zhenzhen; Xin, Yanmei; Zhang, Zhonghai; Wu, Hongjun; Wang, Peng

2015-01-01

One-dimensional nanocomposites of metal-oxide and noble metal were expected to present superior performance for nonenzymatic glucose detection due to its good conductivity and high catalytic activity inherited from noble metal and metal oxide respectively. As a proof of concept, we synthesized gold and copper oxide (Au/CuO) composite with unique one-dimensional nanocauliflowers structure. Due to the nature of the synthesis method, no any foreign binder was needed in keeping either Au or CuO in place. To the best of our knowledge, this is the first attempt in combining metal oxide and noble metal in a binder-free style for fabricating nonenzymatic glucose sensor. The Au/CuO nanocauliflowers with large electrochemical active surface and high electrolyte contact area would promise a wide linear range and high sensitive detection of glucose with good stability and reproducibility due to its good electrical conductivity of Au and high electrocatalytic activity of CuO. PMID:26068705

Catalysis using hydrous metal oxide ion exchanges

DOEpatents

Dosch, Robert G.; Stephens, Howard P.; Stohl, Frances V.

1985-01-01

In a process which is catalyzed by a catalyst comprising an active metal on a carrier, said metal being active as a catalyst for the process, an improvement is provided wherein the catalyst is a hydrous, alkali metal or alkaline earth metal titanate, zirconate, niobate or tantalate wherein alkali or alkaline earth metal cations have been exchanged with a catalytically effective amount of cations of said metal.

Catalysis using hydrous metal oxide ion exchangers

DOEpatents

Dosch, R.G.; Stephens, H.P.; Stohl, F.V.

1983-07-21

In a process which is catalyzed by a catalyst comprising an active metal on a carrier, said metal being active as a catalyst for the process, an improvement is provided wherein the catalyst is a hydrous, alkali metal or alkaline earth metal titanate, zirconate, niobate or tantalate wherein alkali or alkaline earth metal cations have been exchanged with a catalytically effective amount of cations of said metal.

Ionic conductivity and mixed-ion effect in mixed alkali metaphosphate glasses.

PubMed

Tsuchida, Jefferson Esquina; Ferri, Fabio Aparecido; Pizani, Paulo Sergio; Martins Rodrigues, Ana Candida; Kundu, Swarup; Schneider, José Fabián; Zanotto, Edgar Dutra

2017-03-01

In this work, mixed alkali metaphosphate glasses based on K-Na, Rb-Na, Rb-Li, Cs-Na and Cs-Li combinations were studied by differential scanning calorimetry (DSC), complex impedance spectroscopy, and Raman spectroscopy. DSC analyses show that both the glass transition (T g ) and melting temperatures (T m ) exhibit a clear mixed-ion effect. The ionic conductivity shows a strong mixed-ion effect and decreases by more than six orders of magnitude at room temperature for Rb-Na or Cs-Li alkali pairs. This study confirms that the mixed-ion effect may be explained as a natural consequence of random ion mixing because ion transport is favoured between well-matched energy sites and is impeded due to the structural mismatch between neighbouring sites for dissimilar ions.

Inactive enzymatic mutant proteins (phosphoglycerate mutase and enolase) as sugar binders for ribulose-1,5-bisphosphate regeneration reactors

PubMed Central

De, Debojyoti; Dutta, Debajyoti; Kundu, Moloy; Mahato, Sourav; Schiavone, Marc T; Chaudhuri, Surabhi; Giri, Ashok; Gupta, Vidya; Bhattacharya, Sanjoy K

2005-01-01

Background Carbon dioxide fixation bioprocess in reactors necessitates recycling of D-ribulose1,5-bisphosphate (RuBP) for continuous operation. A radically new close loop of RuBP regenerating reactor design has been proposed that will harbor enzyme-complexes instead of purified enzymes. These reactors will need binders enabling selective capture and release of sugar and intermediate metabolites enabling specific conversions during regeneration. In the current manuscript we describe properties of proteins that will act as potential binders in RuBP regeneration reactors. Results We demonstrate specific binding of 3-phosphoglycerate (3PGA) and 3-phosphoglyceraldehyde (3PGAL) from sugar mixtures by inactive mutant of yeast enzymes phosphoglycerate mutase and enolase. The reversibility in binding with respect to pH and EDTA has also been shown. No chemical conversion of incubated sugars or sugar intermediate metabolites were found by the inactive enzymatic proteins. The dissociation constants for sugar metabolites are in the micromolar range, both proteins showed lower dissociation constant (Kd) for 3-phosphoglycerate (655–796 μM) compared to 3-phosphoglyceraldehyde (822–966 μM) indicating higher affinity for 3PGA. The proteins did not show binding to glucose, sucrose or fructose within the sensitivity limits of detection. Phosphoglycerate mutase showed slightly lower stability on repeated use than enolase mutants. Conclusions The sugar and their intermediate metabolite binders may have a useful role in RuBP regeneration reactors. The reversibility of binding with respect to changes in physicochemical factors and stability when subjected to repeated changes in these conditions are expected to make the mutant proteins candidates for in-situ removal of sugar intermediate metabolites for forward driving of specific reactions in enzyme-complex reactors. PMID:15689239

Aqueous-Processed, High-Capacity Electrodes for Membrane Capacitive Deionization.

PubMed

Jain, Amit; Kim, Jun; Owoseni, Oluwaseye M; Weathers, Cierra; Caña, Daniel; Zuo, Kuichang; Walker, W Shane; Li, Qilin; Verduzco, Rafael

2018-05-15

Membrane capacitive deionization (MCDI) is a low-cost technology for desalination. Typically, MCDI electrodes are fabricated using a slurry of nanoparticles in an organic solvent along with polyvinylidene fluoride (PVDF) polymeric binder. Recent studies of the environmental impact of CDI have pointed to the organic solvents used in the fabrication of CDI electrodes as key contributors to the overall environmental impact of the technology. Here, we report a scalable, aqueous processing approach to prepare MCDI electrodes using water-soluble polymer poly(vinyl alcohol) (PVA) as a binder and ion-exchange polymer. Electrodes are prepared by depositing aqueous slurry of activated carbon and PVA binder followed by coating with a thin layer of PVA-based cation- or anion-exchange polymer. When coated with ion-exchange layers, the PVA-bound electrodes exhibit salt adsorption capacities up to 14.4 mg/g and charge efficiencies up to 86.3%, higher than typically achieved for activated carbon electrodes with a hydrophobic polymer binder and ion-exchange membranes (5-13 mg/g). Furthermore, when paired with low-resistance commercial ion-exchange membranes, salt adsorption capacities exceed 18 mg/g. Our overall approach demonstrates a simple, environmentally friendly, cost-effective, and scalable method for the fabrication of high-capacity MCDI electrodes.

Mechanism of interactions between CMC binder and Si single crystal facets.

PubMed

Vogl, U S; Das, P K; Weber, A Z; Winter, M; Kostecki, R; Lux, S F

2014-09-02

Interactions of the active material particles with the binder are crucial in tailoring the properties of composite electrodes used in lithium-ion batteries. The dependency of the protonation degree of the carboxyl group in the carboxymethyl cellulose (CMC) structure on the pH value of the preparation solution was investigated by Fourier transform infrared spectroscopy (FTIR). Three different distinctive chemical states of CMC binder were chosen (protonated, deprotonated, and half-half), and their interactions with different silicon single crystal facets were investigated. The different Si surface orientations display distinct differences of strength of interactions with the CMC binder. The CMC/Si adhesion forces in solution and Si wettability of the silicon are also strongly dependent on the protonation degree of the CMC. This work provides an insight into the nature of these interactions, which determine the electrochemical performance of silicon composite electrodes.

Binder-free NiFe2O4/C nanofibers as air cathodes for Li-O2 batteries

NASA Astrophysics Data System (ADS)

Zhang, Xin; Wang, Chengyi; Chen, Ya-Nan; Wang, Xin-Gai; Xie, Zhaojun; Zhou, Zhen

2018-02-01

Rechargeable Li-O2 batteries have aroused much attention for their high energy density. However, the poor rechargeability and low efficiency hinder their practical applications. To solve these issues, free-standing carbon films combined with high-activity NiFe2O4 catalysts are prepared by electrospinning method, and directly used as air cathodes for Li-O2 batteries. The obtained films have 3D networks formed by stacking and interlacing massive nanofibers with uniformly dispersed NiFe2O4 nanoparticles on them. The Li-O2 batteries with such binder-free air cathodes show low charging overpotential even comparable to precious metal cathodes, and can sustain excellent discharge/charge cyclic stability. The unique structure and binder-free superiority greatly facilitates the Li+ and O2 diffusion, accelerates the decomposition of Li2O2, and avoid the disturbance of polymer binders.

Immobilization of LiCl-Li 2 O pyroprocessing salt wastes in chlorosodalite using glass-bonded hydrothermal and salt-occlusion methods

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

Riley, Brian J.; Peterson, Jacob A.; Kroll, Jared O.

In this study, salt occlusion and hydrothermal processes were used to make chlorosodalite through reaction with a high-LiCl salt simulating a waste stream following pyrochemical treatment of oxide-based used nuclear fuel. Some products were reacted with glass binders to increase chlorosodalite yield through alkali ion exchange and aide in densification. Hydrothermal processes included reaction of the salt simulant in an acid digestion vessel with either zeolite 4A or sodium aluminate and colloidal silica. Chlorosodalite yields in the crystalline products were nearly complete in the glass-bonded materials at values of 100 mass% for the salt-occlusion method, up to 99.0 mass% formore » the hydrothermal synthesis with zeolite 4A, and up to 96 mass% for the hydrothermal synthesis with sodium aluminate and colloidal silica. These results show promise for using chemically stable chlorosodalite to immobilize oxide reduction salt wastes.« less

AFCF and clinoptilolite use in reduction of (137)Cs deposition in several days' contaminated broiler chicks.

PubMed

Mitrovic, B; Vitorovic, G; Vitorovic, D; Dakovic, A; Stojanovic, M

2007-01-01

The objective of this study was to investigate the binding efficiency of AFCF and clinoptilolite, mixed to the feed and administered orally using gastric tube to chronically (137)Cs alimentary contaminated broiler chicks. Seventy-five male Hybro broiler chicks, between 35 and 47 days of age were divided into five groups (15 birds per group) reared in cages (five birds in a cage) and fed a standard diet. Every day during 13 days of the experimental period all chicks received orally 1 ml CsCl water solution with activity of 1310 Bq ml(-1)(137)Cs (gastric tube). Group 1 was the control group and received no binders. The experimental groups received the binders. Group 2 received 0.2 g of AFCF in the form of water solution (gastric tube); group 3 received 0.2% AFCF in the feed; group 4 received 2g clinoptilolite in the form of water suspension (gastric tube) and group 5 received 2% clinoptilolite in the feed. Five chicks from each group were sacrificed on days 4, 10 and 13 of the experimental period. Using gamma spectrometric methods specific activity of (137)Cs was determined in the samples of breast meat, liver and gizzard. The results obtained showed that administering binders to the chronically contaminated broiler chicks significantly (p<0.01) reduced (137)Cs transfer and deposition in breast meat, liver and gizzard. Decreasing deposition of (137)Cs in breast meat and internal organs increased with time of contamination and binders' administration. With AFCF as a cesium binder, on day 13 of measuring the (137)Cs activity in breast meat was 80-83% lower than that in the control group, 89% in liver and 83-84% in gizzard. Natural clinoptilolite demonstrated lower binding efficiency. On day 13 of measuring the (137)Cs activity in breast meat was 53-69% lower than that in the control group, 67-60% in liver and 59-71% in gizzard.

Enabling high areal capacitance in electrochemical double layer capacitors by means of the environmentally friendly starch binder

NASA Astrophysics Data System (ADS)

Varzi, Alberto; Passerini, Stefano

2015-12-01

Potatoes starch (PS), a natural polymer obtainable from non-edible sources, is for the first time evaluated as alternative water-processable binder for Electrochemical Double-Layer Capacitor (EDLC) electrodes. Morphological and electrochemical properties of activated carbon (AC)-based electrodes are investigated and compared to those achieved with the state-of-the-art aqueous binder (CMC, i.e. Na-carboxymethyl cellulose). The obtained results suggest substantial benefits of PS, in particular regarding the electrode fabrication process. As a matter of fact, owing to its amylopectin content (moderately branched polysaccharide), PS displays only minimal shrinkage upon drying, resulting on rather homogeneous electrodes not presenting the dramatic surface cracking observed with CMC. Furthermore, owing to the smaller volume of water required for the processing, much higher active material loading per area unit can be achieved. This is reflected on improvements of up to 60% in terms of areal capacitance.

Producing Zirconium Diboride Components with Complex, Near-Net Shape Geometries by Aqueous Room-Temperature Injection Molding

NASA Technical Reports Server (NTRS)

Wiesner, Valerie L.; Youngblood, Jeffrey; Trice, Rodney

2014-01-01

Room-temperature injection molding is proposed as a novel, low-cost and more energy efficient manufacturing process capable of forming complex-shaped zirconium diboride (ZrB2) parts. This innovative processing method utilized aqueous suspensions with high powder loading and a minimal amount (5 vol.) of water-soluble polyvinylpyrrolidone (PVP), which was used as a viscosity modifier. Rheological characterization was performed to evaluate the room-temperature flow properties of ZrB2-PVP suspensions. ZrB2 specimens were fabricated with high green body strength and were machinable prior to binder removal despite their low polymer content. After binder burnout and pressureless sintering, the bulk density and microstructure of specimens were characterized using Archimedes technique and scanning electron microscopy. X-Ray Diffraction was used to determine the phase compositions present in sintered specimens. Ultimate strength of sintered specimens will be determined using ASTM C1323-10 compressive C-ring test.

Self-assembly kinetics of DNA functionalised liposomes

NASA Astrophysics Data System (ADS)

Mognetti, B. M.; Bachmann, S. J.; Kotar, J.; Parolini, L.; Petitzon, M.; Cicuta, P.; di Michele, L.

DNA has been largely used to program state-dependent interactions between functionalised Brownian units resulting in responsive systems featuring complex phase behaviours. In this talk I will show how DNA can also be used to control aggregation kinetics in systems of liposomes functionalised by three types of linkers that can simultaneously bind. In doing so, I will present a general coarse-graining strategy that allows calculating the adhesion free energy between pairs of compliant units functionalised by mobile binders. I will highlight the important role played by bilayer deformability and will calculate the free energy contribution due to the presence of complexes made by more than two binders. Finally we will demonstrate the importance of explicitly accounting for the kinetics underlying ligand-receptor reactions when studying large-scale self-assembly. We acknowledge support from ULB, the Oppenheimer Fund, and the EPSRC Programme Grant CAPITALS No. EP/J017566/1.

Influence of mycotoxin binders on the oral bioavailability of tylosin, doxycycline, diclazuril, and salinomycin in fed broiler chickens.

PubMed

De Mil, T; Devreese, M; Maes, A; De Saeger, S; De Backer, P; Croubels, S

2017-07-01

The presence of mycotoxins in broiler feed can have deleterious effects on the wellbeing of the animals and their performance. Mycotoxin binders are feed additives that aim to adsorb mycotoxins in the intestinal tract and thereby prevent the oral absorption of the mycotoxin. The simultaneous administration of coccidiostats and/or antimicrobials with mycotoxin binders might lead to a reduced oral bioavailability of these veterinary medicinal products. This paper describes the influence of 3 mycotoxin binders (i.e., clay 1 containing montmorillonite, mica, and feldspars; clay 2 containing montmorillonite and quartz; and yeast 1 being a modified glucomannan fraction of inactivated yeast cells) and activated carbon on the oral bioavailability and pharmacokinetic parameters of the antimicrobials doxycycline and tylosin, and the coccidiostats diclazuril and salinomycin. A feeding study with 40 15 day-old broilers was performed evaluating the effects of long-term feeding 2 g mycotoxin binder/kg of feed. The birds were randomly divided into 5 groups of 8 birds each, i.e., a control group receiving no binder and 4 test groups receiving either clay 1, clay 2, yeast 1, or activated carbon mixed in the feed. After 15 d of feeding, both the control and each test group were administered doxycycline, tylosin, diclazuril, and salinomycin, consecutively, respecting a wash-out period of 2 to 3 d between each administration. The 4 medicinal products were dosed using a single bolus administration directly in the crop. After each bolus administration, blood was collected for plasma analysis and calculation of the main pharmacokinetic parameters and relative oral bioavailability (F = area under the plasma concentration-time curve (AUC0-8 h) in the test groups/AUC0-8 h in the control group)*100). No effects were observed of any of the mycotoxin binders on the relative oral bioavailability of the coccidiostats (i.e., F between 82 and 101% and 79 and 93% for diclazuril and salinomycin, respectively). Also, no significant effects could be noticed of any of the mycotoxin binders on the relative oral bioavailability of the antimicrobials doxycycline and tylosin (i.e., F between 67 and 83% and between 43 and 104%, respectively). © 2017 Poultry Science Association Inc.

Metal phthalocyanine catalysts

DOEpatents

Ellis, Jr., Paul E.; Lyons, James E.

1994-01-01

As a new composition of matter, alkali metal or ammonium or tetraalkylammonium diazidoperfluorophthalocyanatoferrate. Other embodiments of the invention comprise compositions wherein the metal of the coordination complex is cobalt, manganese and chromium.

Computer simulations of alkali-acetate solutions: Accuracy of the forcefields in difference concentrations

NASA Astrophysics Data System (ADS)

Ahlstrand, Emma; Zukerman Schpector, Julio; Friedman, Ran

2017-11-01

When proteins are solvated in electrolyte solutions that contain alkali ions, the ions interact mostly with carboxylates on the protein surface. Correctly accounting for alkali-carboxylate interactions is thus important for realistic simulations of proteins. Acetates are the simplest carboxylates that are amphipathic, and experimental data for alkali acetate solutions are available and can be compared with observables obtained from simulations. We carried out molecular dynamics simulations of alkali acetate solutions using polarizable and non-polarizable forcefields and examined the ion-acetate interactions. In particular, activity coefficients and association constants were studied in a range of concentrations (0.03, 0.1, and 1M). In addition, quantum-mechanics (QM) based energy decomposition analysis was performed in order to estimate the contribution of polarization, electrostatics, dispersion, and QM (non-classical) effects on the cation-acetate and cation-water interactions. Simulations of Li-acetate solutions in general overestimated the binding of Li+ and acetates. In lower concentrations, the activity coefficients of alkali-acetate solutions were too high, which is suggested to be due to the simulation protocol and not the forcefields. Energy decomposition analysis suggested that improvement of the forcefield parameters to enable accurate simulations of Li-acetate solutions can be achieved but may require the use of a polarizable forcefield. Importantly, simulations with some ion parameters could not reproduce the correct ion-oxygen distances, which calls for caution in the choice of ion parameters when protein simulations are performed in electrolyte solutions.

The Phosphate Binder Ferric Citrate and Mineral Metabolism and Inflammatory Markers in Maintenance Dialysis Patients: Results From Prespecified Analyses of a Randomized Clinical Trial

PubMed Central

Van Buren, Peter N.; Lewis, Julia B.; Dwyer, Jamie P.; Greene, Tom; Middleton, John; Sika, Mohammed; Umanath, Kausik; Abraham, Josephine D.; Arfeen, Shahabul S.; Bowline, Isai G.; Chernin, Gil; Fadem, Stephen Z.; Goral, Simin; Koury, Mark; Sinsakul, Marvin V.; Weiner, Daniel E.

2016-01-01

Background Phosphate binders are the cornerstone of hyperphosphatemia management in dialysis patients. Ferric citrate is an iron-based oral phosphate binder that effectively lowers serum phosphorus levels. Study Design 52-week, open-label, phase 3, randomized, controlled trial for safety-profile assessment. Setting & Participants Maintenance dialysis patients with serum phosphorus levels ≥6.0 mg/dL after washout of prior phosphate binders. Intervention 2:1 randomization to ferric citrate or active control (sevelamer carbonate and/or calcium acetate). Outcomes Changes in mineral bone disease, protein-energy wasting/inflammation, and occurrence of adverse events after 1 year. Measurements Serum calcium, intact parathyroid hormone, phosphorus, aluminum, white blood cell count, percentage of lymphocytes, serum urea nitrogen, and bicarbonate. Results There were 292 participants randomly assigned to ferric citrate, and 149, to active control. Groups were well matched. For mean changes from baseline, phosphorus levels decreased similarly in the ferric citrate and active control groups (−2.04 ± 1.99 [SD] vs −2.18 ± 2.25 mg/dL, respectively; P = 0.9); serum calcium levels increased similarly in the ferric citrate and active control groups (0.22 ± 0.90 vs 0.31 ± 0.95 mg/dL; P = 0.2). Hypercalcemia occurred in 4 participants receiving calcium acetate. Parathyroid hormone levels decreased similarly in the ferric citrate and active control groups (−167.1 ± 399.8 vs −152.7 ± 392.1 pg/mL; P = 0.8). Serum albumin, bicarbonate, serum urea nitrogen, white blood cell count and percentage of lymphocytes, and aluminum values were similar between ferric citrate and active control. Total and low-density lipoprotein cholesterol levels were lower in participants receiving sevelamer than those receiving ferric citrate and calcium acetate. Fewer participants randomly assigned to ferric citrate had serious adverse events compared with active control. Limitations Open-label study, few peritoneal dialysis patients. Conclusions Ferric citrate was associated with similar phosphorus control compared to active control, with similar effects on markers of bone and mineral metabolism in dialysis patients. There was no evidence of protein-energy wasting/inflammation or aluminum toxicity, and fewer participants randomly assigned to ferric citrate had serious adverse events. Ferric citrate is an effective phosphate binder with a safety profile comparable to sevelamer and calcium acetate. PMID:25958079

Highly Effective Pt-Based Water-Gas Shift Catalysts by Surface Modification with Alkali Hydroxide Salts

DOE PAGES

Kusche, Matthias; Bustillo, Karen; Agel, Friederike; ...

2015-01-29

Here, we describe an economical and convenient method to improve the performance of Pt/alumina catalysts for the water–gas shift reaction through surface modification of the catalysts with alkali hydroxides according to the solid catalyst with ionic liquid layer approach. The results are in agreement with our findings reported earlier for methanol steam reforming. This report indicates that alkali doping of the catalyst plays an important role in the observed catalyst activation. In addition, the basic and hygroscopic nature of the salt coating contributes to a significant improvement in the performance of the catalyst. During the reaction, a partly liquid filmmore » of alkali hydroxide forms on the alumina surface, which increases the availability of H 2O at the catalytically active sites. Kinetic studies reveal a negligible effect of the KOH coating on the rate dependence of CO and H 2O partial pressures. In conclusion, TEM studies indicate an agglomeration of the active Pt clusters during catalyst preparation; restructuring of Pt nanoparticles occurs under reaction conditions, which leads to a highly active and stable system over 240h time on stream. Excessive pore fillings with KOH introduce a mass transfer barrier as indicated in a volcano-shaped curve of activity versus salt loading. The optimum KOH loading was found to be 7.5wt%.« less

Comparative metabolic responses and adaptive strategies of wheat (Triticum aestivum) to salt and alkali stress.

PubMed

Guo, Rui; Yang, Zongze; Li, Feng; Yan, Changrong; Zhong, Xiuli; Liu, Qi; Xia, Xu; Li, Haoru; Zhao, Long

2015-07-07

It is well known that salinization (high-pH) has been considered as a major environmental threat to agricultural systems. The aim of this study was to investigate the differences between salt stress and alkali stress in metabolic profiles and nutrient accumulation of wheat; these parameters were also evaluated to determine the physiological adaptive mechanisms by which wheat tolerates alkali stress. The harmful effect of alkali stress on the growth and photosynthesis of wheat were stronger than those of salt stress. High-pH of alkali stress induced the most of phosphate and metal ions to precipitate; as a result, the availability of nutrients significantly declined. Under alkali stress, Ca sharply increased in roots, however, it decreased under salt stress. In addition, we detected the 75 metabolites that were different among the treatments according to GC-MS analysis, including organic acids, amino acids, sugars/polyols and others. The metabolic data showed salt stress and alkali stress caused different metabolic shifts; alkali stress has a stronger injurious effect on the distribution and accumulation of metabolites than salt stress. These outcomes correspond to specific detrimental effects of a highly pH environment. Ca had a significant positive correlation with alkali tolerates, and increasing Ca concentration can immediately trigger SOS Na exclusion system and reduce the Na injury. Salt stress caused metabolic shifts toward gluconeogenesis with increased sugars to avoid osmotic stress; energy in roots and active synthesis in leaves were needed by wheat to develop salt tolerance. Alkali stress (at high pH) significantly inhibited photosynthetic rate; thus, sugar production was reduced, N metabolism was limited, amino acid production was reduced, and glycolysis was inhibited.

Method of preparing pure fluorine gas

DOEpatents

Asprey, Larned B.

1976-01-01

A simple, inexpensive system for purifying and storing pure fluorine is described. The method utilizes alkali metal-nickel fluorides to absorb tank fluorine by forming nickel complex salts and leaving the gaseous impurities which are pumped away. The complex nickel fluoride is then heated to evolve back pure gaseous fluorine.

MK2 inhibitor reduces alkali burn-induced inflammation in rat cornea

PubMed Central

Chen, Yanfeng; Yang, Wenzhao; Zhang, Xiaobo; Yang, Shu; Peng, Gao; Wu, Ting; Zhou, Yueping; Huang, Caihong; Reinach, Peter S.; Li, Wei; Liu, Zuguo

2016-01-01

MK2 activation by p38 MAPK selectively induces inflammation in various diseases. We determined if a MK2 inhibitor (MK2i), improves cornea wound healing by inhibiting inflammation caused by burning rat corneas with alkali. Our study, for the first time, demonstrated that MK2i inhibited alkali burn-induced MK2 activation as well as rises in inflammation based on: a) blunting rises in inflammatory index, inflammatory cell infiltration, ED1+ macrophage and PMN+ neutrophil infiltration; b) suppressing IL-6 and IL-1β gene expression along with those of macrophage inflammatory protein-1α (MIP-1α), intercellular adhesion molecule-1 (ICAM-1) and vascular cell adhesion molecule-1 (VCAM-1); c) reducing angiogenic gene expression levels and neovascularization (NV) whereas anti-angiogenic PEDF levels increased. In addition, this study found that MK2i did not affect human corneal epithelial cell (HCEC) proliferation and migration and had no detectable side effects on ocular surface integrity. Taken together, MK2i selectively inhibited alkali burn-induced corneal inflammation by blocking MK2 activation, these effects have clinical relevance in the treatment of inflammation related ocular surface diseases. PMID:27329698

A mesoscopic approach for draping simulation of preforms manufactured by direct fibre placement

NASA Astrophysics Data System (ADS)

Engelfried, Mathias; Fial, Julian; Tartler, Manuel; Böhler, Patrick; Hägele, Dominik; Middendorf, Peter

2017-10-01

The draping of preforms made by automated fibre placement is a suitable way to generate complex, three-dimensional preforms. The absence of weaving or sewing yarns leads to a high tendency towards defects, such as gaps. To predict those defects a detailed simulation model of the material is necessary. This work deals with a method to describe the inter-ply friction of preforms that consists of carbon fibre yarns joined by a thermoplastic binder. Therefore, a friction model which is customised to the partial presence of molten binder is proposed. This model is used in a mesoscopic draping simulation and is validated by draping experiments.

Solid phase extraction membrane

DOEpatents

Carlson, Kurt C [Nashville, TN; Langer, Roger L [Hudson, WI

2002-11-05

A wet-laid, porous solid phase extraction sheet material that contains both active particles and binder and that possesses excellent wet strength is described. The binder is present in a relatively small amount while the particles are present in a relatively large amount. The sheet material is sufficiently strong and flexible so as to be pleatable so that, for example, it can be used in a cartridge device.

Hydrogen scavengers

DOEpatents

Carroll, David W.; Salazar, Kenneth V.; Trkula, Mitchell; Sandoval, Cynthia W.

2002-01-01

There has been invented a codeposition process for fabricating hydrogen scavengers. First, a .pi.-bonded allylic organometallic complex is prepared by reacting an allylic transition metal halide with an organic ligand complexed with an alkali metal; and then, in a second step, a vapor of the .pi.-bonded allylic organometallic complex is combined with the vapor of an acetylenic compound, irradiated with UV light, and codeposited on a substrate.

PROCESS FOR TREATING VOLATILE METAL FLUORIDES

DOEpatents

Rudge, A.J.; Lowe, A.J.

1957-10-01

This patent relates to the purification of uranium hexafluoride, made by reacting the metal or its tetrafluoride with fluorine, from the frequently contained traces of hydrofluoric acid. According to the present process, UF/sub 6/ containing as an impurity a small amount of hydrofluoric acid, is treated to remove such impurity by contact with an anhydrous alkali metal fluoride such as sodium fluoride. In this way a non-volatile complex containing hydrofluoric acid and the alkali metal fluoride is formed, and the volatile UF /sub 6/ may then be removed by distillation.

Aggregate absorption in HMA mixtures.

DOT National Transportation Integrated Search

2013-12-01

Designing hot mix asphalt (HMA) that will perform for many years is a complex balancing act of selecting an : appropriate design asphalt binder content that is sufficiently high to provide durability but not so high as to lead : to rutting problems. ...

Positron-alkali atom scattering

NASA Technical Reports Server (NTRS)

Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.; Ward, S. J.

1990-01-01

Positron-alkali atom scattering was recently investigated both theoretically and experimentally in the energy range from a few eV up to 100 eV. On the theoretical side calculations of the integrated elastic and excitation cross sections as well as total cross sections for Li, Na and K were based upon either the close-coupling method or the modified Glauber approximation. These theoretical results are in good agreement with experimental measurements of the total cross section for both Na and K. Resonance structures were also found in the L = 0, 1 and 2 partial waves for positron scattering from the alkalis. The structure of these resonances appears to be quite complex and, as expected, they occur in conjunction with the atomic excitation thresholds. Currently both theoretical and experimental work is in progress on positron-Rb scattering in the same energy range.

Characteristics of Ceramic Fiber Modified Asphalt Mortar

PubMed Central

Wan, Jiuming; Wu, Shaopeng; Xiao, Yue; Liu, Quantao; Schlangen, Erik

2016-01-01

Ceramic fiber, with a major composition of Al2O3 and SiO2, has advantages of stability at relatively high temperature, big specific surface area and resistance to external mechanical vibration. It has the potential contribution of improving the rutting resistance and temperature sensitivity of modified asphalt binder by proper modification design. In this research, ceramic fiber was introduced into both pen 60/80 and pen 80/100 asphalt binder by different weight ratios. An asphalt penetration test, softening point test, ductility test and dynamic viscoelastic behavior were conducted to characterize and predict the ceramic fiber modified asphalt mortar (CFAM). Research results indicated that the ceramic fiber has a great effect on reinforcement of asphalt, which makes the asphalt stiffer so that the asphalt can only undertake less strain under the same stress. The heat insulation effect of the ceramic fiber will improve the temperature stability. Complex modulus and phase angle results indicate that the ceramic fiber can significantly enhance the high temperature resistance of soft binder. PMID:28773908

Characteristics of Ceramic Fiber Modified Asphalt Mortar.

PubMed

Wan, Jiuming; Wu, Shaopeng; Xiao, Yue; Liu, Quantao; Schlangen, Erik

2016-09-21

Ceramic fiber, with a major composition of Al₂O₃ and SiO₂, has advantages of stability at relatively high temperature, big specific surface area and resistance to external mechanical vibration. It has the potential contribution of improving the rutting resistance and temperature sensitivity of modified asphalt binder by proper modification design. In this research, ceramic fiber was introduced into both pen 60/80 and pen 80/100 asphalt binder by different weight ratios. An asphalt penetration test, softening point test, ductility test and dynamic viscoelastic behavior were conducted to characterize and predict the ceramic fiber modified asphalt mortar (CFAM). Research results indicated that the ceramic fiber has a great effect on reinforcement of asphalt, which makes the asphalt stiffer so that the asphalt can only undertake less strain under the same stress. The heat insulation effect of the ceramic fiber will improve the temperature stability. Complex modulus and phase angle results indicate that the ceramic fiber can significantly enhance the high temperature resistance of soft binder.

Development of proteome-wide binding reagents for research and diagnostics.

PubMed

Taussig, Michael J; Schmidt, Ronny; Cook, Elizabeth A; Stoevesandt, Oda

2013-12-01

Alongside MS, antibodies and other specific protein-binding molecules have a special place in proteomics as affinity reagents in a toolbox of applications for determining protein location, quantitative distribution and function (affinity proteomics). The realisation that the range of research antibodies available, while apparently vast is nevertheless still very incomplete and frequently of uncertain quality, has stimulated projects with an objective of raising comprehensive, proteome-wide sets of protein binders. With progress in automation and throughput, a remarkable number of recent publications refer to the practical possibility of selecting binders to every protein encoded in the genome. Here we review the requirements of a pipeline of production of protein binders for the human proteome, including target prioritisation, antigen design, 'next generation' methods, databases and the approaches taken by ongoing projects in Europe and the USA. While the task of generating affinity reagents for all human proteins is complex and demanding, the benefits of well-characterised and quality-controlled pan-proteome binder resources for biomedical research, industry and life sciences in general would be enormous and justify the effort. Given the technical, personnel and financial resources needed to fulfil this aim, expansion of current efforts may best be addressed through large-scale international collaboration. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using llama derived single domain antibodies to target botulinum neurotoxins

NASA Astrophysics Data System (ADS)

Swain, Marla D.; Anderson, George P.; Bernstein, Rachael D.; Liu, Jinny L.; Goldman, Ellen R.

2010-04-01

Llama serum contains both conventional IgG as well as unique forms of antibody that contain only heavy chains where antigen binding is mediated through a single variable domain. These variable domains can be expressed recombinantly and are referred to as single domain antibodies (sdAb). SdAb are among the smallest known naturally derived antigen binding fragments, possess good solubility, thermal stability, and can refold after heat and chemical denaturation. Llamas were immunized with either BoNT A or B toxoid and phage display libraries prepared. Single domain antibodies (sdAb) that were able to detect botulinum neurotoxin (BoNT) serotypes A and B were selected from their respective libraries. Here, the binders obtained by panning the BoNT B library on either BoNT B toxoid or BoNT B complex toxoid coated plates or BoNT B toxin coupled microspheres are described. Using these panning methods, we selected for binders that showed specificity for BoNT B. Phage displayed binders were screened, moved to a protein expression vector and soluble sdAb was produced. Using a Luminex flow cytometer binders were evaluated in direct binding assays. We have exploited the unique properties of sdAb and used them as biological recognition elements in immuno-based sensors that can detect BoNT B.

Correlated time-variation of bulk microstructure and rheology in asphalt binders.

PubMed

Ramm, A; Sakib, N; Bhasin, A; Downer, M C

2018-05-22

We use near-infrared dark-field optical microscopy to probe isothermal time variation of the volume fraction of naturally-occurring, subsurface microstructures in PG 64-22 asphalt binders at temperature T=30∘C, following a rapid heating (cooling) increment |ΔT|=20∘C from initial temperature T0=10∘C(50∘C). We compare these microstructure variations with isothermal time variations of the magnitude |G30∗(t)| of the bulk complex shear modulus measured for identical sample conditions with a Dynamic Shear Rheometer. The main findings are: (1) Microstructure volume fraction (inferred from intensity I(t) of near-infrared optical scatter) and |G∗(t)| both continue to change appreciably long after measurable changes of binder temperature cease. Moreover, delayed time variations in I(t) and |G∗(t)| (2) correlate closely with each other; (3) evolve on three distinct time scales - several minutes, ∼1 h, >1 day; (4) depend on binder aging; (5) are more pronounced after a cooling step (ΔT=-20∘C) than after a heating step (ΔT=+20∘C); and (6) account for hysteresis in I(t) and |G∗(t)| curves observed during heating-cooling cycles. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

A critical spare part inventory control based on hazard function approach: A case study in a garment company

NASA Astrophysics Data System (ADS)

Melinda, Intan Dewi; Jauhari, Wakhid Ahmad

2018-02-01

Spare part procurement is a complex issue and requires an accurate analysis. Stock outs of spare part can leads a great impact on production. Therefore, it is necessary to design the inventory control of spare parts that guarantee the availability of spare parts needed for supporting the maintenance activity. This paper studies the inventory policy for sewing machine spare part using hazard function to approximate the demand. Hazard function is the indicator of the effect of ageing on the reliability of the system. It quantifies the risk of failure as the age of the system increases. We use a continuous review policy based on Hadley Within Approach to calculate the optimum inventory level for critical spare parts. There are four spare parts categorized as critical spare parts, which are needle plate, feed dog, rotary and binder attachment. The optimal ordering quantity for needle plate, feed, rotary and binder attachment are 5 units, 17 units, 5 units, and 9 units, respectively and the reorder point are 2 units, 1 unit, 2 units and 1 unit, respectively. Finally, the service level achieved by the proposed policy is in a range of 95.91%-97.93%, which indicates that the inventory level of spare parts can be used to support the required parts in the maintenance activity.

Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction

NASA Astrophysics Data System (ADS)

Sulea, Traian; Hogues, Hervé; Purisima, Enrico O.

2012-05-01

We carried out a prospective evaluation of the utility of the SIE (solvation interaction energy) scoring function for virtual screening and binding affinity prediction. Since experimental structures of the complexes were not provided, this was an exercise in virtual docking as well. We used our exhaustive docking program, Wilma, to provide high-quality poses that were rescored using SIE to provide binding affinity predictions. We also tested the combination of SIE with our latest solvation model, first shell of hydration (FiSH), which captures some of the discrete properties of water within a continuum model. We achieved good enrichment in virtual screening of fragments against trypsin, with an area under the curve of about 0.7 for the receiver operating characteristic curve. Moreover, the early enrichment performance was quite good with 50% of true actives recovered with a 15% false positive rate in a prospective calculation and with a 3% false positive rate in a retrospective application of SIE with FiSH. Binding affinity predictions for both trypsin and host-guest complexes were generally within 2 kcal/mol of the experimental values. However, the rank ordering of affinities differing by 2 kcal/mol or less was not well predicted. On the other hand, it was encouraging that the incorporation of a more sophisticated solvation model into SIE resulted in better discrimination of true binders from binders. This suggests that the inclusion of proper Physics in our models is a fruitful strategy for improving the reliability of our binding affinity predictions.

Phage display of engineered binding proteins.

PubMed

Levisson, Mark; Spruijt, Ruud B; Winkel, Ingrid Nolla; Kengen, Servé W M; van der Oost, John

2014-01-01

In current purification processes optimization of the capture step generally has a large impact on cost reduction. At present, valuable biomolecules are often produced in relatively low concentrations and, consequently, the eventual selective separation from complex mixtures can be rather inefficient. A separation technology based on a very selective high-affinity binding may overcome these problems. Proteins in their natural environment manifest functionality by interacting specifically and often with relatively high affinity with other molecules, such as substrates, inhibitors, activators, or other proteins. At present, antibodies are the most commonly used binding proteins in numerous applications. However, antibodies do have limitations, such as high production costs, low stability, and a complex patent landscape. A novel approach is therefore to use non-immunoglobulin engineered binding proteins in affinity purification. In order to obtain engineered binders with a desired specificity, a large mutant library of the new to-be-developed binding protein has to be created and screened for potential binders. A powerful technique to screen and select for proteins with desired properties from a large pool of variants is phage display. Here, we indicate several criteria for potential binding protein scaffolds and explain the principle of M13 phage display. In addition, we describe experimental protocols for the initial steps in setting up a M13 phage display system based on the pComb3X vector, including construction of the phagemid vector, production of phages displaying the protein of interest, and confirmation of display on the M13 phage.

An investigation of waste glass-based geopolymers supplemented with alumina

NASA Astrophysics Data System (ADS)

Christiansen, Mary U.

An increased consideration of sustainability throughout society has resulted in a surge of research investigating sustainable alternatives to existing construction materials. A new binder system, called a geopolymer, is being investigated to supplement ordinary portland cement (OPC) concrete, which has come under scrutiny because of the CO2 emissions inherent in its production. Geopolymers are produced from the alkali activation of a powdered aluminosilicate source by an alkaline solution, which results in a dense three-dimensional matrix of tetrahedrally linked aluminosilicates. Geopolymers have shown great potential as a building construction material, offering similar mechanical and durability properties to OPC. Additionally, geopolymers have the added value of a considerably smaller carbon footprint than OPC. This research considered the compressive strength, microstructure and composition of geopolymers made from two types of waste glass with varying aluminum contents. Waste glass shows great potential for mainstream use in geopolymers due to its chemical and physical homogeneity as well as its high content of amorphous silica, which could eliminate the need for sodium silicate. However, the lack of aluminum is thought to negatively affect the mechanical performance and alkali stability of the geopolymer system. 39 Mortars were designed using various combinations of glass and metakaolin or fly ash to supplement the aluminum in the system. Mortar made from the high-Al glass (12% Al2O3) reached over 10,000 psi at six months. Mortar made from the low-Al glass (<1% Al2O3) did not perform as well and remained sticky even after several weeks of curing, most likely due to the lack of Al which is believed to cause hardening in geopolymers. A moderate metakaolin replacement (25-38% by mass) was found to positively affect the compressive strength of mortars made with either type of glass. Though the microstructure of the mortar was quite indicative of mechanical performance, composition was also found to be important. The initial stoichiometry of the bulk mixture was maintained fairly closely, especially in mixtures made with fine glass. This research has shown that glass has great potential for use in geopolymers, when care is given to consider the compositional and physical properties of the glass in mixture design.

An Integrated approach (thermodynamic, structural, and computational) to the study of complexation of alkali-metal cations by a lower-rim calix[4]arene amide derivative in acetonitrile.

PubMed

Horvat, Gordan; Stilinović, Vladimir; Hrenar, Tomica; Kaitner, Branko; Frkanec, Leo; Tomišić, Vladislav

2012-06-04

The calix[4]arene secondary-amide derivative L was synthesized, and its complexation with alkali-metal cations in acetonitrile (MeCN) was studied by means of spectrophotometric, NMR, conductometric, and microcalorimetric titrations at 25 °C. The stability constants of the 1:1 (metal/ligand) complexes determined by different methods were in excellent agreement. For the complexation of M(+) (M = Li, Na, K) with L, both enthalpic and entropic contributions were favorable, with their values and mutual relations being quite strongly dependent on the cation. The enthalpic and overall stability was the largest in the case of the sodium complex. Molecular and crystal structures of free L, its methanol and MeCN solvates, the sodium complex, and its MeCN solvate were determined by single-crystal X-ray diffraction. The inclusion of a MeCN molecule in the calixarene hydrophobic cavity was observed both in solution and in the solid state. This specific interaction was found to be stronger in the case of metal complexes compared to the free ligand because of the better preorganization of the hydrophobic cone to accept the solvent molecule. Density functional theory calculations showed that the flattened cone conformation (C(2) point group) of L was generally more favorable than the square cone conformation (C(4) point group). In the complex with Na(+), L was in square cone conformation, whereas in its adduct with MeCN, the conformation was slightly distorted from the full symmetry. These conformations were in agreement with those observed in the solid state. The classical molecular dynamics simulations indicated that the MeCN molecule enters the L hydrophobic cavity of both the free ligand and its alkali-metal complexes. The inclusion of MeCN in the cone of free L was accompanied by the conformational change from C(2) to C(4) symmetry. As in solution studies, in the case of ML(+) complexes, an allosteric effect was observed: the ligand was already in the appropriate square cone conformation to bind the solvent molecule, allowing it to more easily and faster enter the calixarene cavity.

Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase

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

Lingel, Andreas; Sendzik, Martin; Huang, Ying

2017-01-12

PRC2 is a multisubunit methyltransferase involved in epigenetic regulation of early embryonic development and cell growth. The catalytic subunit EZH2 methylates primarily lysine 27 of histone H3, leading to chromatin compaction and repression of tumor suppressor genes. Inhibiting this activity by small molecules targeting EZH2 was shown to result in antitumor efficacy. Here, we describe the optimization of a chemical series representing a new class of PRC2 inhibitors which acts allosterically via the trimethyllysine pocket of the noncatalytic EED subunit. Deconstruction of a larger and complex screening hit to a simple fragment-sized molecule followed by structure-guided regrowth and careful propertymore » modulation were employed to yield compounds which achieve submicromolar inhibition in functional assays and cellular activity. The resulting molecules can serve as a simplified entry point for lead optimization and can be utilized to study this new mechanism of PRC2 inhibition and the associated biology in detail.« less

Adsorption performance of coconut shell activated carbon for the removal of chlorate from chlor-alkali brine stream.

PubMed

Lakshmanan, Shyam; Murugesan, Thanapalan

2016-12-01

Activated carbon from coconut shell was used to investigate the adsorption of chlorate from a chlor-alkali plant's brine stream. The effect of pH, flowrate, chlorate and chloride concentration on the breakthrough curves were studied in small-scale column trials. The results obtained show enhanced adsorption at low flowrates, higher chlorate concentrations, and at a pH of 10. These studies show that introducing an activated carbon adsorption column just before the saturator would remove sufficient quantities of chlorate to allow more of the chlor-alkali plant's brine stream to be reused. From column dynamic studies, the Thomas model showed close approximation when the chlorate in the effluent was higher than breakthrough concentrations and there was close correlation at high influent concentration. The q o (maximum adsorption capacity) values were close to those obtained experimentally, indicating close representation of the breakthrough curve by the Thomas model.

Power output of microbial fuel cell emphasizing interaction of anodic binder with bacteria

NASA Astrophysics Data System (ADS)

Li, Hongying; Liao, Bo; Xiong, Juan; Zhou, Xingwang; Zhi, Huozhen; Liu, Xiang; Li, Xiaoping; Li, Weishan

2018-03-01

Electrochemically active biofilm is necessary for the electron transfer between bacteria and anodic electrode in microbial fuel cells and selecting the type of anodic electrode material that favours formation of electrochemically active biofilm is crucial for the microbial fuel cell operation. We report a new finding that the interaction of anodic binder with bacteria plays more important role than its hydrophilicity for forming an electrochemically active biofilm, which is emphasized by applying poly(bisphenol A-co-epichorohydrin) as an anodic binder of the microbial fuel cell based on carbon nanotubes as anodic electrode and Escherichia coli as bacterium. The physical characterizations and electrochemical measurements demonstrate that poly(bisphenol A-co-epichorohydrin) exhibits a strong interaction with bacteria and thus provides the microbial fuel cell with excellent power density output. The MFC using poly(bisphenol A-co-epichorohydrin) reaches a maximum power density output of 3.8 W m-2. This value is larger than that of the MFCs using polytetrafluoroethylene that has poorer hydrophilicity, or polyvinyl alcohol that has better hydrophilicity but exhibits weaker interaction with bacteria than poly(bisphenol A-co-epichorohydrin).

Geochronology and geochemistry of basaltic rocks from the Sartuohai ophiolitic mélange, NW China: Implications for a Devonian mantle plume within the Junggar Ocean

NASA Astrophysics Data System (ADS)

Yang, Gaoxue; Li, Yongjun; Santosh, M.; Yang, Baokai; Yan, Jing; Zhang, Bing; Tong, Lili

2012-10-01

The West Junggar domain in NW China is a distinct tectonic unit of the Central Asian Orogenic Belt (CAOB). It is composed of Paleozoic ophiolitic mélanges, arcs and accretionary complexes. The Sartuohai ophiolitic mélange in the eastern West Junggar forms the northeastern part of the Darbut ophiolitic mélange, which contains serpentinized harzburgite, pyroxenite, dunite, cumulate, pillow lava, abyssal radiolarian chert and podiform chromite, overlain by the Early Carboniferous volcano-sedimentary rocks. In this paper we report new geochronological and geochemical data from basaltic and gabbroic blocks embedded within the Sartuohai ophiolitic mélange, to assess the possible presence of a Devonian mantle plume in the West Junggar, and evaluate the petrogenesis and implications for understanding of the Paleozoic continental accretion of CAOB. Zircon U-Pb analyses from the alkali basalt and gabbro by laser ablation inductively coupled plasma mass spectrometry yielded weighted mean ages of 375 ± 2 Ma and 368 ± 11 Ma. Geochemically, the Sartuohai ophiolitic mélange includes at least two distinct magmatic units: (1) a Late Devonian fragmented ophiolite, which were produced by ca. 2-10% spinel lherzolite partial melting in arc-related setting, and (2) contemporary alkali lavas, which were derived from 5% to 10% garnet + minor spinel lherzolite partial melting in an oceanic plateau or a seamount. Based on detailed zircon U-Pb dating and geochemical data for basalts and gabbros from the Sartuohai ophiolitic mélange, in combination with previous work, indicate a complex evolution by subduction-accretion processes from the Devonian to the Carboniferous. Furthermore, the alkali basalts from the Sartuohai ophiolitic mélange might be correlated to a Devonian mantle plume-related magmatism within the Junggar Ocean. If the plume model as proposed here is correct, it would suggest that mantle plume activity significantly contributed to the crustal growth in the CAOB.

Structures of Hydrated Alkali Metal Cations, M+(H2O)nAr (m = Li, Na, K, rb and Cs, n = 3-5), Using Infrared Photodissociation Spectroscopy and Thermodynamic Analysis

NASA Astrophysics Data System (ADS)

Ke, Haochen; van der Linde, Christian; Lisy, James M.

2014-06-01

Alkali metal cations play vital roles in chemical and biochemical systems. Lithium is widely used in psychiatric treatment of manic states and bipolar disorder; Sodium and potassium are essential elements, having major biological roles as electrolytes, balancing osmotic pressure on body cells and assisting the electroneurographic signal transmission; Rubidium has seen increasing usage as a supplementation for manic depression and depression treatment; Cesium doped compounds are used as essential catalysts in chemical production and organic synthesis. Since hydrated alkali metal cations are ubiquitous and the basic form of the alkali metal cations in chemical and biochemical systems, their structural and thermodynamic properties serve as the foundation for modeling more complex chemical and biochemical processes, such as ion transport and ion size-selectivity of ionophores and protein channels. By combining mass spectrometry and infrared photodissociation spectroscopy, we have characterized the structures and thermodynamic properties of the hydrated alkali metal cations, i.e. M+(H2O)nAr, (M = Li, Na, K, Rb and Cs, n = 3-5). Ab initio calculations and RRKM-EE (evaporative ensemble) calculations were used to assist in the spectral assignments and thermodynamic analysis. Results showed that the structures of hydrated alkali metal cations were determined predominantly by the competition between non-covalent interactions, i.e. the water---water hydrogen bonding interactions and the water---cation electrostatic interactions. This balance, however, is very delicate and small changes, i.e. different cations, different levels of hydration and different effective temperatures clearly impact the balance.

Optimization of synthesis of the nickel-cobalt oxide based anode electrocatalyst and of the related membrane-electrode assembly for alkaline water electrolysis

NASA Astrophysics Data System (ADS)

Chanda, Debabrata; Hnát, Jaromir; Bystron, Tomas; Paidar, Martin; Bouzek, Karel

2017-04-01

In this work, the Ni-Co spinel oxides are synthesized via different methods and using different calcination temperatures. Properties of the prepared materials are compared. The best route is selected and used to prepare a Ni1+xCo2-xO4 (-1 ≤ x ≤ 1) series of materials in order to investigate their catalytic activity towards the oxygen evolution reaction (OER). The results show that hydroxide preparation yields NiCo2O4 oxide with the highest activity. 325 °C is identified as the optimum calcination temperature. Subsequently, the catalysts are tested in an electrolysis cell. To prepare an anode catalyst layer based on NiCo2O4 catalyst on top of a nickel foam substrate for membrane electrode assembly (MEA) construction, following polymer binders are used: anion-selective quaternized polyphenylene oxide (qPPO), inert polytetrafluoroethylene (PTFE®), and cation-selective Nafion®. qPPO ionomer containing MEA exhibited highest OER activity. The current density obtained using a MEA containing qPPO binder attains a value of 135 mA cm-2 at a cell voltage of 1.85 V. After 7 h chronopotentiometric experiment at a constant current density of 225 mA cm-2, the MEA employing PTFE® binder shows higher stability than the other binders in alkaline water electrolysis at 50 °C. Under similar conditions, stability of the PTFE®-binding MEA is examined for 135 h.

A combinatorial approach for the design of complementarity-determining region-derived peptidomimetics with in vitro anti-tumoral activity.

PubMed

Timmerman, Peter; Barderas, Rodrigo; Desmet, Johan; Altschuh, Danièle; Shochat, Susana; Hollestelle, Martine J; Höppener, Jo W M; Monasterio, Alberto; Casal, J Ignacio; Meloen, Rob H

2009-12-04

The great success of therapeutic monoclonal antibodies has fueled research toward mimicry of their binding sites and the development of new strategies for peptide-based mimetics production. Here, we describe a new combinatorial approach for the production of peptidomimetics using the complementarity-determining regions (CDRs) from gastrin17 (pyroEGPWLEEEEEAYGWMDF-NH(2)) antibodies as starting material for cyclic peptide synthesis in a microarray format. Gastrin17 is a trophic factor in gastrointestinal tumors, including pancreatic cancer, which makes it an interesting target for development of therapeutic antibodies. Screening of microarrays containing bicyclic peptidomimetics identified a high number of gastrin binders. A strong correlation was observed between gastrin binding and overall charge of the peptidomimetic. Most of the best gastrin binders proceeded from CDRs containing charged residues. In contrast, CDRs from high affinity antibodies containing mostly neutral residues failed to yield good binders. Our experiments revealed essential differences in the mode of antigen binding between CDR-derived peptidomimetics (K(d) values in micromolar range) and the parental monoclonal antibodies (K(d) values in nanomolar range). However, chemically derived peptidomimetics from gastrin binders were very effective in gastrin neutralization studies using cell-based assays, yielding a neutralizing activity in pancreatic tumoral cell lines comparable with that of gastrin-specific monoclonal antibodies. These data support the use of combinatorial CDR-peptide microarrays as a tool for the development of a new generation of chemically synthesized cyclic peptidomimetics with functional activity.

A Combinatorial Approach for the Design of Complementarity-determining Region-derived Peptidomimetics with in Vitro Anti-tumoral Activity*

PubMed Central

Timmerman, Peter; Barderas, Rodrigo; Desmet, Johan; Altschuh, Danièle; Shochat, Susana; Hollestelle, Martine J.; Höppener, Jo W. M.; Monasterio, Alberto; Casal, J. Ignacio; Meloen, Rob H.

2009-01-01

The great success of therapeutic monoclonal antibodies has fueled research toward mimicry of their binding sites and the development of new strategies for peptide-based mimetics production. Here, we describe a new combinatorial approach for the production of peptidomimetics using the complementarity-determining regions (CDRs) from gastrin17 (pyroEGPWLEEEEEAYGWMDF-NH2) antibodies as starting material for cyclic peptide synthesis in a microarray format. Gastrin17 is a trophic factor in gastrointestinal tumors, including pancreatic cancer, which makes it an interesting target for development of therapeutic antibodies. Screening of microarrays containing bicyclic peptidomimetics identified a high number of gastrin binders. A strong correlation was observed between gastrin binding and overall charge of the peptidomimetic. Most of the best gastrin binders proceeded from CDRs containing charged residues. In contrast, CDRs from high affinity antibodies containing mostly neutral residues failed to yield good binders. Our experiments revealed essential differences in the mode of antigen binding between CDR-derived peptidomimetics (Kd values in micromolar range) and the parental monoclonal antibodies (Kd values in nanomolar range). However, chemically derived peptidomimetics from gastrin binders were very effective in gastrin neutralization studies using cell-based assays, yielding a neutralizing activity in pancreatic tumoral cell lines comparable with that of gastrin-specific monoclonal antibodies. These data support the use of combinatorial CDR-peptide microarrays as a tool for the development of a new generation of chemically synthesized cyclic peptidomimetics with functional activity. PMID:19808684

K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(III) complex crystallites.

PubMed

Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng

2016-04-14

A semi-rigid ligand could capture effectively Yb(3+) ions to form a stable Yb(3+) complex and provide a potential cavity to accommodate alkali metal ions. Only K(+) ions could induce the Yb(3+) complex to form a 1D coordination polymer and promote the in situ formation of an NIR membrane coated with bigger Yb(3+) complex crystallites under mild conditions.

Metal phthalocyanine catalysts

DOEpatents

Ellis, P.E. Jr.; Lyons, J.E.

1994-10-11

A new composition of matter is described which is an alkali metal or ammonium or tetraalkylammonium diazidoperfluorophthalocyanatoferrate. Other embodiments of the invention comprise compositions wherein the metal of the coordination complex is cobalt, manganese and chromium.

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

Zhao, Hui; Wei, Yang; Wang, Cheng

The excessive volume changes during cell cycling of Si-based anode in lithium ion batteries impeded its application. One major reason for the cell failure is particle isolation during volume shrinkage in delithiation process, which makes strong adhesion between polymer binder and anode active material particles a highly desirable property. Here, a biomimetic side-chain conductive polymer incorporating catechol, a key adhesive component of the mussel holdfast protein, was synthesized. Atomic force microscopy-based single-molecule force measurements of mussel-inspired conductive polymer binder contacting a silica surface revealed a similar adhesion toward substrate when compared with an effective Si anode binder, homo-poly(acrylic acid), withmore » the added benefit of being electronically conductive. Electrochemical experiments showed a very stable cycling of Si-alloy anodes realized via this biomimetic conducting polymer binder, leading to a high loading Si anode with a good rate performance. We attribute the ability of the Si-based anode to tolerate the volume changes during cycling to the excellent mechanical integrity afforded by the strong interfacial adhesion of the biomimetic conducting polymer.« less

Three-dimensional core-shell Fe2O3 @ carbon/carbon cloth as binder-free anode for the high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Wang, Xiaohua; Zhang, Miao; Liu, Enzuo; He, Fang; Shi, Chunsheng; He, Chunnian; Li, Jiajun; Zhao, Naiqin

2016-12-01

A facile and scalable strategy is developed to fabricate three dimensional core-shell Fe2O3 @ carbon/carbon cloth structure by simple hydrothermal route as binder-free lithium-ion battery anode. In the unique structure, carbon coated Fe2O3 nanorods uniformly disperse on carbon cloth which forms the conductive carbon network. The hierarchical porous Fe2O3 nanorods in situ grown on the carbon cloth can effectively shorten the transfer paths of lithium ions and reduce the contact resistance. The carbon coating significantly inhibits pulverization of active materials during the repeated Li-ion insertion/extraction, as well as the direct exposure of Fe2O3 to the electrolyte. Benefiting from the structural integrity and flexibility, the nanocomposites used as binder-free anode for lithium-ion batteries, demonstrate high reversible capacity and excellent cyclability. Moreover, this kind of material represents an alternative promising candidate for flexible, cost-effective, and binder-free energy storage devices.

Biosynthesis of edeine: II. Localization of edeine synthetase within Bacillus brevis Vm4.

PubMed

Kurylo-Borowska, Z

1975-07-14

Edeine-synthesizing polyenzymes, associated with a complex of sytoplasmic membrane and DNA, were obtained from gently lysed cells of Bacillus brevis Vm4. The polyenzymes-membrane-DNA complex, isolated from dells intensively synthesizing edeines (18--20 h culture) contained edeine B. Edeine B was found to be bound covalently t o the edeine synthetase. The amount of edeine bound to polyenzymes was 0.1--0.3 mumol/mg protein, depending on the age of cells. Detachment of deeine synthetase with a covalently bound edeine B from the membrane-DNA complex was accomplished by a treatment with (NH4)2-SO4 at 45--55% saturation or by DEAE-cellulose column fractionation. In contrast to other components of the complex, the edeine-polyenzymes fragment was not adsorbed to the DEAE-cellulose. Sephadex G-200 column chromatography separated the edeine-polyenzymes complex into 3 fractions. Edeine-polyenzymes complex, obtained from lysozyme-Brij-58-DNAase treated cells, contained edeine B bound to two protein fractions of mol. wt 210 000 and 160 000. Edeine-polyenzymes complex detached from the complex with the membrane and DNA contained edeine B, bound only to protein fraction of mol. wt 210 000. Edeine A was not found in the edeine-polyenzymes complex. No accumulation of free antibiotics within 16--22 h old cells of B. brevis Vm4 was detected. The edeine-polyenzymes complex associated with the DNA-membrane complex has shown no antimicrobial activity. By treating of above with alkali, edeine B of specific activity: 80 units/mjmol was released. The complex of DNA-membrane associated with edeine-polyenzymes complex was able to synthesize DNA, under the conditions described for synthesis, directed by a DNA-membrane complex. Edeine when associated with this complex did not effect the DNA-synthesizing activity.

Groundwater Modeling Of Mercury Pollution At A Former Mercury Cell Chlor Alkali Facility In Pavoldar, Kazakhstan

EPA Science Inventory

In Kazakhstan, there is a serious case of mercury pollution near the city of Pavlodar from an old mercury cell chlor-alkali plant. The soil, sediment, and water is severly contaminated with mercury and mercury compounds as a result of the industrial activity of this chemical pla...

Low-reactive circulating fluidized bed combustion (CFBC) fly ashes as source material for geopolymer synthesis

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

Xu Hui; Li Qin; Shen Lifeng

2010-01-15

In this contribution, low-reactive circulating fluidized bed combustion (CFBC) fly ashes (CFAs) have firstly been utilized as a source material for geopolymer synthesis. An alkali fusion process was employed to promote the dissolution of Si and Al species from the CFAs, and thus to enhance the reactivity of the ashes. A high-reactive metakaolin (MK) was also used to consume the excess alkali needed for the fusion. Reactivities of the CFAs and MK were examined by a series of dissolution tests in sodium hydroxide solutions. Geopolymer samples were prepared by alkali activation of the source materials using a sodium silicate solutionmore » as the activator. The synthesized products were characterized by mechanical testing, scanning electron microscopy (SEM), X-ray diffractography (XRD), as well as Fourier transform infrared spectroscopy (FTIR). The results of this study indicate that, via enhancing the reactivity by alkali fusion and balancing the Na/Al ratio by additional aluminosilicate source, low-reactive CFAs could also be recycled as an alternative source material for geopolymer production.« less

Cooking with Active Oxygen and Solid Alkali: A Promising Alternative Approach for Lignocellulosic Biorefineries.

PubMed

Jiang, Yetao; Zeng, Xianhai; Luque, Rafael; Tang, Xing; Sun, Yong; Lei, Tingzhou; Liu, Shijie; Lin, Lu

2017-10-23

Lignocellulosic biomass, a matrix of biopolymers including cellulose, hemicellulose, and lignin, has gathered increasing attention in recent years for the production of chemicals, fuels, and materials through biorefinery processes owing to its renewability and availability. The fractionation of lignocellulose is considered to be the fundamental step to establish an economical and sustainable lignocellulosic biorefinery. In this Minireview, we summarize a newly developed oxygen delignification for lignocellulose fractionation called cooking with active oxygen and solid alkali (CAOSA), which can fractionate lignocellulose into its constituents and maintain its processable form. In the CAOSA approach, environmentally friendly chemicals are applied instead of undesirable chemicals such as strong alkalis and sulfides. Notably, the alkali recovery for this process promises to be relatively simple and does not require causticizing or sintering. These features make the CAOSA process an alternative for both lignocellulose fractionation and biomass pretreatment. The advantages and challenges of CAOSA are also discussed to provide a comprehensive perspective with respect to existing strategies. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

PROCESS FOR RECOVERY OF URANIUM VALUES FROM IMPURE SOLUTIONS THEREOF

DOEpatents

Kilner, S.B.

1959-11-01

A process is presented for the recovery of uraninm values from impure solutions which are obtained, for example, by washing residual uranium salt or uranium metal deposits from stainless steel surfaces using an aqueous or certain acidic aqueous solutions. The solutions include uranyl and oxidized iron, chromium, nickel, and copper ions and may contain manganese, zinc, and silver ions. In accordance with one procedure. the uranyl ions are reduced to the uranous state, and the impurity ions are complexed with cyanide under acidic conditions. The solution is then treated with ammonium hydroxide or alkali metal hydroxide to precipitate uranous hydroxide away from the complexed impurity ions in the solution. Alternatively, an excess of alkali metal cyanide is added to the reduced solution until the solution becomes sufficiently alkaline for the uranons hydroxide to precipitate. An essential feature in operating the process is in maintaining the pH of the solution sufficiently acid during the complexing operation to prevent the precipitation of the impurity metal hydroxides.

PROCESS OF RECOVERING URANIUM

DOEpatents

Kilner, S.B.

1959-12-29

A method is presented for separating and recovering uranium from a complex mixure of impurities. The uranium is dissolved to produce an aqueous acidic solution including various impurities. In accordance with one method, with the uranium in the uranyl state, hydrogen cyanide is introduced into the solution to complex the impurities. Subsequently, ammonia is added to the solution to precipitate the uraniunn as ammonium diuranate away from the impurities in the solution. Alternatively, the uranium is precipitated by adding an alkaline metal hydroxide. In accordance with the second method, the uranium is reduced to the uranous state in the solution. The reduced solution is then treated with solid alkali metal cyanide sufficient to render the solution about 0.1 to 1.0 N in cyanide ions whereat cyanide complex ions of the metal impurities are produced and the uranium is simultaneously precipituted as uranous hydroxide. Alternatively, hydrogen cyanide may be added to the reduced solution and the uranium precipitated subsequently by adding ammonium hydroxide or an alkali metal hydroxide. Other refinements of the method are also disclosed.

Juvenile hormone, but not nutrition or social cues, affects reproductive maturation in solitary alkali bees (Nomia melanderi).

PubMed

Kapheim, Karen M; Johnson, Makenna M

2017-10-15

Eusocial insect colonies are defined by extreme variation in reproductive activity among castes, but the ancestral conditions from which this variation arose are unknown. Investigating the factors that contribute to variation in reproductive physiology among solitary insects that are closely related to social species can help to fill this gap. We experimentally tested the role of nutrition, juvenile hormone (JH) and social cues on reproductive maturation in solitary alkali bees (Halictidae: Nomia melanderi ). We found that alkali bee females emerge from overwintering with small Dufour's glands and small ovaries, containing oocytes in the early stages of development. Oocyte maturation occurs rapidly, and is staggered between the two ovaries. Lab-reared females reached reproductive maturity without access to mates or nesting opportunities, and many had resorbed oocytes. Initial activation of these reproductive structures does not depend on pollen consumption, though dietary protein or lipids may be necessary for long-term reproductive activity. JH is likely to be a limiting factor in alkali bee reproductive activation, as females treated with JH were more likely to develop mature oocytes and Dufour's glands. Unlike for related social bees, the effects of JH were not suppressed by the presence of older, reproductive females. These results provide valuable insight into the factors that influence reproductive activity in an important native pollinator, and those that may have been particularly influential in the evolution of reproductive castes. © 2017. Published by The Company of Biologists Ltd.

In Situ Multilength-Scale Tracking of Dimensional and Viscoelastic Changes in Composite Battery Electrodes.

PubMed

Dargel, Vadim; Jäckel, Nicolas; Shpigel, Netanel; Sigalov, Sergey; Levi, Mikhael D; Daikhin, Leonid; Presser, Volker; Aurbach, Doron

2017-08-23

Intercalation-induced dimensional changes in a composite battery electrode (comprising a polymeric binder) are one of the major factors limiting electrode cycling performance. Since electrode performance is expressed by the quantities averaged over its entire surface area (e.g., capacity retention, Faradaic efficiency, rate capability), significant efforts have been made to develop a methodology allowing its facile mechanical diagnostics at the same areal scale. Herein we introduce such a generic methodology for a highly sensitive in situ monitoring of intrinsic mechanical properties of composite battery electrodes. The gravimetric, dimensional, viscoelastic, and adhesive changes in the composite electrodes caused by Li-ions intercalation are assessed noninvasively and in real time by electrochemical quartz-crystal microbalance with dissipation monitoring (EQCM-D). Multiharmonic acoustic waves generated by EQCM-D penetrate into thin porous electrodes comprising either rigid or a soft binder resulting in frequency and dissipation changes quantified by analytical acoustic load impedance models. As a first demonstration, we used a composite LiFePO 4 (LFP) electrode containing either polyvinylidene dichloride (PVdF) or Na carboximethyl cellulose (NaCMC) as rigid and viscoelastic binders, respectively, in aqueous electrolytes. The intercalation-induced volume changes of LFP electrode were evaluated from a hydrodynamic correction to the mass effect of the intercalated ions for PVdF, and both components of the effective complex shear modulus (i.e., storage and loss moduli) in case of NaCMC binder have been extracted. The sliding friction coefficients for large particles bound at their bottom to the quartz crystal surface (a measure of the adhesion strength of binders) has also been evaluated. Tracking the mechanical properties of the composite electrodes in different environments and charging/cycling conditions in a self-consistent manner provides all necessary conditions for an optimal selection of the polymeric binders resistant to intercalation-induced volume changes of intercalation particles.

Radiation creation of cation defects in alkali halide crystals: Review and today's concept (Review Article)

NASA Astrophysics Data System (ADS)

Lushchik, A.; Lushchik, Ch.; Vasil'chenko, E.; Popov, A. I.

2018-04-01

Irradiation of alkali halide crystals creates pairs of Frenkel defects both in anion and cation sublattices. However, the particular nonimpact creation mechanisms (related to the decay of different electronic excitations) of cation Frenkel pairs are still unclear. At helium temperatures, there is yet no direct evidences of the creation of stable (long-lived) elemental cation defects. On the other hand, a number of complex structural defects containing cation vacancies and/or interstitials, were detected after irradiation of alkali halides at higher temperatures. Besides already proved mechanism related to the association of H and VK centers into trihalide molecules, the following possibilities of cation interstitial-vacancy pair creation are analyzed as well: (i) a direct decay of cation or anion excitons, (ii) the transformation of anion Frenkel pairs, formed at the decay of anion excitons or e-h recombination, into cation ones.

Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

NASA Astrophysics Data System (ADS)

Hummelshøj, J. S.; Landis, D. D.; Voss, J.; Jiang, T.; Tekin, A.; Bork, N.; Dułak, M.; Mortensen, J. J.; Adamska, L.; Andersin, J.; Baran, J. D.; Barmparis, G. D.; Bell, F.; Bezanilla, A. L.; Bjork, J.; Björketun, M. E.; Bleken, F.; Buchter, F.; Bürkle, M.; Burton, P. D.; Buus, B. B.; Calborean, A.; Calle-Vallejo, F.; Casolo, S.; Chandler, B. D.; Chi, D. H.; Czekaj, I.; Datta, S.; Datye, A.; DeLaRiva, A.; Despoja, V.; Dobrin, S.; Engelund, M.; Ferrighi, L.; Frondelius, P.; Fu, Q.; Fuentes, A.; Fürst, J.; García-Fuente, A.; Gavnholt, J.; Goeke, R.; Gudmundsdottir, S.; Hammond, K. D.; Hansen, H. A.; Hibbitts, D.; Hobi, E.; Howalt, J. G.; Hruby, S. L.; Huth, A.; Isaeva, L.; Jelic, J.; Jensen, I. J. T.; Kacprzak, K. A.; Kelkkanen, A.; Kelsey, D.; Kesanakurthi, D. S.; Kleis, J.; Klüpfel, P. J.; Konstantinov, I.; Korytar, R.; Koskinen, P.; Krishna, C.; Kunkes, E.; Larsen, A. H.; Lastra, J. M. G.; Lin, H.; Lopez-Acevedo, O.; Mantega, M.; Martínez, J. I.; Mesa, I. N.; Mowbray, D. J.; Mýrdal, J. S. G.; Natanzon, Y.; Nistor, A.; Olsen, T.; Park, H.; Pedroza, L. S.; Petzold, V.; Plaisance, C.; Rasmussen, J. A.; Ren, H.; Rizzi, M.; Ronco, A. S.; Rostgaard, C.; Saadi, S.; Salguero, L. A.; Santos, E. J. G.; Schoenhalz, A. L.; Shen, J.; Smedemand, M.; Stausholm-Møller, O. J.; Stibius, M.; Strange, M.; Su, H. B.; Temel, B.; Toftelund, A.; Tripkovic, V.; Vanin, M.; Viswanathan, V.; Vojvodic, A.; Wang, S.; Wellendorff, J.; Thygesen, K. S.; Rossmeisl, J.; Bligaard, T.; Jacobsen, K. W.; Nørskov, J. K.; Vegge, T.

2009-07-01

We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition metal atom (M2) plus two to five (BH4)- groups, i.e., M1M2(BH4)2-5, using a number of model structures with trigonal, tetrahedral, octahedral, and free coordination of the metal borohydride complexes. Of the over 700 investigated structures, about 20 were predicted to form potentially stable alloys with promising decomposition energies. The M1(Al/Mn/Fe)(BH4)4, (Li/Na)Zn(BH4)3, and (Na/K)(Ni/Co)(BH4)3 alloys are found to be the most promising, followed by selected M1(Nb/Rh)(BH4)4 alloys.

Electron- and photon-stimulated desorption of atomic hydrogen from radiation-modified alkali halide surfaces

NASA Astrophysics Data System (ADS)

Hudson, L. T.; Tolk, N. H.; Bao, C.; Nordlander, P.; Russell, D. P.; Xu, J.

2000-10-01

The desorption yields of excited hydrogen atoms from the surfaces of KCl, KBr, NaCl, NaF, and LiF have been measured as a function of incident photon and electron energy and flux, time of irradiation, dosing pressure of H2 and sample temperature. As these surfaces are exposed to H2 gas during electron or photon bombardment, the fluorescence from excited hydrogen atoms ejected from the surface is monitored. The desorption yields are found to be contingent upon surface damage induced by the incident particle radiation, leading to dissociative adsorption at surface sites containing an excess of alkali metal. A desorption mechanism is presented in which incident electrons or photons induce a valence excitation to a neutral, antibonding state of the surface alkali hydride molecule complex, leading to the desorption of hydrogen atoms possessing several eV of kinetic energy.

Novel Binders and Methods for Agglomeration of Ore

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

S. K. Kawatra; T. C. Eisele; K. A. Lewandowski

2006-03-31

Many metal extraction operations, such as leaching of copper, leaching of precious metals, and reduction of metal oxides to metal in high-temperature furnaces, require agglomeration of ore to ensure that reactive liquids or gases are evenly distributed throughout the ore being processed. Agglomeration of ore into coarse, porous masses achieves this even distribution of fluids by preventing fine particles from migrating and clogging the spaces and channels between the larger ore particles. Binders are critically necessary to produce agglomerates that will not break down during processing. However, for many important metal extraction processes there are no binders known that willmore » work satisfactorily at a reasonable cost. A primary example of this is copper heap leaching, where there are no binders currently encountered in this acidic environment process. As a result, operators of many facilities see a large loss of process efficiency due to their inability to take advantage of agglomeration. The large quantities of ore that must be handled in metal extraction processes also means that the binder must be inexpensive and useful at low dosages to be economical. The acid-resistant binders and agglomeration procedures developed in this project will also be adapted for use in improving the energy efficiency and performance of a broad range of mineral agglomeration applications, particularly heap leaching. The active involvement of our industrial partners will help to ensure rapid commercialization of any agglomeration technologies developed by this project.« less

Novel Binders and Methods for Agglomeration of Ore

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

S. K. Kawatra; T. C. Eisele; J. A. Gurtler

2005-09-30

Many metal extraction operations, such as leaching of copper, leaching of precious metals, and reduction of metal oxides to metal in high-temperature furnaces, require agglomeration of ore to ensure that reactive liquids or gases are evenly distributed throughout the ore being processed. Agglomeration of ore into coarse, porous masses achieves this even distribution of fluids by preventing fine particles from migrating and clogging the spaces and channels between the larger ore particles. Binders are critically necessary to produce agglomerates that will not break down during processing. However, for many important metal extraction processes there are no binders known that willmore » work satisfactorily at a reasonable cost. A primary example of this is copper heap leaching, where there are no binders currently encountered in this acidic environment process. As a result, operators of many facilities see a large loss of process efficiency due to their inability to take advantage of agglomeration. The large quantities of ore that must be handled in metal extraction processes also means that the binder must be inexpensive and useful at low dosages to be economical. The acid-resistant binders and agglomeration procedures developed in this project will also be adapted for use in improving the energy efficiency and performance of a broad range of mineral agglomeration applications, particularly heap leaching. The active involvement of our industrial partners will help to ensure rapid commercialization of any agglomeration technologies developed by this project.« less

Abatement of chlorinated compounds in groundwater contaminated by HCH wastes using ISCO with alkali activated persulfate.

PubMed

Santos, A; Fernandez, J; Rodriguez, S; Dominguez, C M; Lominchar, M A; Lorenzo, D; Romero, A

2018-02-15

In this work, in situ chemical oxidation (ISCO) with alkali activated persulfate has been tested for the elimination of HCH isomers and other chlorinated compounds in groundwater from Sabiñanigo (Sardas landfill), which was contaminated by solid and liquid wastes illegally dumped in the area by a company producing lindane. Due to the site lithology and the type of pollutants found in groundwater (HCHs and chlorobenzenes) alkali (NaOH) activated persulfate (PS) was selected as oxidant. The influence of variables such as PS concentration (42-200mM) and NaOH:PS molar ratio (2:1 to 4:1) on chlorinated compound abatement has been studied and a kinetic model to predict the composition of all chlorinated organic compounds (COCs) in the aqueous phase with time was obtained. It was found that a fast initial hydrodechlorination reaction took place in which HCH isomers reacted to trichlorobenzenes (mainly 1,2,4 TCB) at pH≥12. Mono-, di-, tri and tetrachlorobenzenes remaining were oxidized without producing aromatic intermediates. At the condition tested a first order kinetic model for COCs and PS concentration was obtained. Zero order alkali concentration was obtained while pH was being kept at 12 for the whole reaction time. Copyright © 2017 Elsevier B.V. All rights reserved.

Electron Beam Curing of Composite Positive Electrode for Li-Ion Battery

DOE PAGES

Du, Zhijia; Janke, C. J.; Li, Jianlin; ...

2016-10-12

We have successfully used electron beam cured acrylated polyurethanes as novel binders for positive electrodes for Li-ion batteries. Furthermore, the cross-linked polymer after electron beam curing coheres active materials and carbon black together onto Al foil. Electrochemical tests demonstrate the stability of the polymer at a potential window of 2.0 V–4.6 V. The electrode is found to have similar voltage profiles and charge-transfer resistance compared to the conventional electrode using polyvinylidene fluoride as the binder. Finally, when the electrode is tested in full Li-ion cells, they exhibit excellent cycling performance, indicating promising use for this new type of binder inmore » commercial Li-ion batteries in the future.« less

ON THE REACTION OF COMPONENETS IN MeNO$sub 3$-UO$sub 2$(NO$sub 3$)$sub 2$- H$sub 2$O TYPE SYSTEMS (in Russian)

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

Yakimov, M.A.; Nosova, N.F.; Degtyarev, A.Ya.

1963-01-01

Solubility in ternary systems TlNO/sub 3/--UO/sub 2/(NO/sub 3/)/sub 2/-- H/sub 2/ O and CsNO/sub 3/--UO/sub 2/(NO/sub 3/)/sub 2/--H/sub 2/O at 0 to 25 c- C was studi ed by the isothermal method. The first system did not form solid phase compounds; the second system formed two compounds Cs/sub 2/UO/ sub 2/(NO/sub 3/)/sub 4/ and CsUO/sub 2/(NO/sub 3/)/sub 3/ at 25 c- and of water vapor pressure over the systems at 25 c- showed that water activity in the ternary systems at certain concentrations does not exceed the water activity in binary uranyl nitratewater system (at identical uranyl nitrate concentrations) confirmingmore » the observed complex formation in the solution. The mechanism of complex formation was analyzed and expanded for alkali metal - metal salt-complexing agent water systems. (R.V.J.)« less

Structure of complexes between aluminum chloride and other chlorides, 2: Alkali-(chloroaluminates). Gaseous complexes

NASA Technical Reports Server (NTRS)

Hargittai, M.

1980-01-01

The structural chemistry of complexes between aluminum chloride and other metal chlorides is important both for practice and theory. Condensed-phase as well as vapor-phase complexes are of interest. Structural information on such complexes is reviewed. The first emphasis is given to the molten state because of its practical importance. Aluminum chloride forms volatile complexes with other metal chlorides and these vapor-phase complexes are dealt with in the second part. Finally, the variations in molecular shape and geometrical parameters are summarized.

Mineralogy and Ar-Ar Age of the Tarahumara IIE Iron, with Reference to the Origin of Alkali-Rich Materials

NASA Technical Reports Server (NTRS)

Takeda, Hiroshi; Bogard, Donald D.; Otsuki, Mayumi; Ishii, Teruaki

2003-01-01

Silicate inclusions in nine known IIE irons show diversity in mineralogy, and Colomera, Kodaikanal, Elga and Miles contain alkali-rich silicate inclusions. Bogard et al. showed evidence of a complex parent body evolution for IIE irons based on Ar-39-Ar-40 ages. Colomera contained a sanidine-rich surface inclusion and the K-enrichment trends in the Na-rich inclusions are different from those of other IIEs. To elucidate the origin of K-rich materials, we studied the mineralogy and Ar-Ar age of silicate inclusions from the Tarahumara IIE iron meteorite.

Measurement of Total Site Mercury Emissions from a Chlor-Alkali Plant Using Ultraviolet Differential Optical Absorption Spectroscopy and Cell Room Roof-Vent Monitoring

EPA Science Inventory

Mercury-cell chlor-alkali plants can emit significant quantities of fugitive elemental mercury vapor to the air as part of production operations and maintenance activities. In the fall of 2006, the U.S. Environmental Protection Agency (EPA) conducted a measurement project at a ch...

Groundwater Modeling of Mercury Pollution at a Former Mercury Cell Chlor Alkali Facility in Pavlodar City, Kazakhstan

EPA Science Inventory

In northern Kazakhstan, there is a serious case of mercury pollution near the city of Pavlodar from an old mercury cell chlor-alkali plant. The soil, sediment, and water is severely contaminated with mercury and mercury compounds as a result of the industrial activity of this ch...

Screening the sequence selectivity of DNA-binding molecules using a gold nanoparticle-based colorimetric approach.

PubMed

Hurst, Sarah J; Han, Min Su; Lytton-Jean, Abigail K R; Mirkin, Chad A

2007-09-15

We have developed a novel competition assay that uses a gold nanoparticle (Au NP)-based, high-throughput colorimetric approach to screen the sequence selectivity of DNA-binding molecules. This assay hinges on the observation that the melting behavior of DNA-functionalized Au NP aggregates is sensitive to the concentration of the DNA-binding molecule in solution. When short, oligomeric hairpin DNA sequences were added to a reaction solution consisting of DNA-functionalized Au NP aggregates and DNA-binding molecules, these molecules may either bind to the Au NP aggregate interconnects or the hairpin stems based on their relative affinity for each. This relative affinity can be measured as a change in the melting temperature (Tm) of the DNA-modified Au NP aggregates in solution. As a proof of concept, we evaluated the selectivity of 4',6-diamidino-2-phenylindone (an AT-specific binder), ethidium bromide (a nonspecific binder), and chromomycin A (a GC-specific binder) for six sequences of hairpin DNA having different numbers of AT pairs in a five-base pair variable stem region. Our assay accurately and easily confirmed the known trends in selectivity for the DNA binders in question without the use of complicated instrumentation. This novel assay will be useful in assessing large libraries of potential drug candidates that work by binding DNA to form a drug/DNA complex.

Recombinant expression and characterization of an acid-, alkali- and salt-tolerant β-1,3-1,4-glucanase from Paenibacillus sp. S09.

PubMed

Cheng, Rui; Xu, Linxiang; Wang, Shiming; Wang, Yang; Zhang, Jianfa

2014-04-01

A new β-1,3-1,4-glucanase gene (PlicA) was cloned from Paenibacillus sp. S09. The ORF contained 717 bp coding for a 238 amino acid protein. PlicA, expressed in Escherichia coli and purified by Ni(2+)-affinity chromatography, had optimum activity at 55 °C and pH 6.2. The specific activity toward barley β-glucan reached 7,055 U/mg. K m and V max values with barley β-glucan were 3.7 mg/ml and 3.3 × 10(3) μmol/min mg, respectively. The enzyme exhibited acid- and alkali-tolerance with more than 80 % activity remaining after incubation for 4 h at pH 3.5-12. PlicA was salt-tolerant (>90 % activity retained in 4 M NaCl at 25 °C for 24 h) and salt-activated: activity rising 1.5-fold in 0.5 M NaCl. The thermostability was improved by NaCl and CaCl2. This is the first report of an acid-, alkali- and salt-tolerant bacterial β-1,3-1,4-glucanase with high catalytic efficiency.

Evaluate the contribution of the mixture components on the longevity and performance of FC-5 : [summary].

DOT National Transportation Integrated Search

2014-05-01

At its most basic, an asphalt mixture is asphalt : binder and crushed stone aggregate. This : seemingly simple mixture is very complex; method : of preparation and application, additives, and : aggregate type all influence the quality and : durabilit...

Analysis and treatment of industrial wastewater through chemical coagulation-adsorption process-A case study of Clariant Pakistan limited

NASA Astrophysics Data System (ADS)

Ali Shah, Syed Farman; Shah, Abdul Karim; Mehdi, Ahmad; Memon, Aziza Aftab; Harijan, Khanji; Ali, Zeenat M.

2012-05-01

Textile dye manufacture processes are known as the most polluting chemical processes of industrial sectors of the world. Colored wastewaters along with many polluting agents are troublesome. They are heavily polluted with dyes, textile auxiliaries and chemicals. Current study applies a coupled technology for wastewater treatment. Combined coagulation-adsorption process was utilized for treatment of complex nature effluents of dyes, binder emulsion, pigments and textile chemicals plants at Clariant Pakistan. Cost effective coagulant and adsorbent was selected by using waste material from a power generation unit of Water and Power Development Authority (WAPDA), Pakistan. The treated effluent could be reused. Alum+ Activated Carbon, Ferrous sulfate+ Activated Carbon, Ferric chloride + Activated Carbon. Almost complete decolourization was achieved along with reduction in COD up to 65%. Pre and post treatment, TDS, COD, Turbidity and suspended solids were improved.

Electrochemically oxidized electronic and ionic conducting nanostructured block copolymers for lithium battery electrodes.

PubMed

Patel, Shrayesh N; Javier, Anna E; Balsara, Nitash P

2013-07-23

Block copolymers that can simultaneously conduct electronic and ionic charges on the nanometer length scale can serve as innovative conductive binder material for solid-state battery electrodes. The purpose of this work is to study the electronic charge transport of poly(3-hexylthiophene)-b-poly(ethylene oxide) (P3HT-PEO) copolymers electrochemically oxidized with lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt in the context of a lithium battery charge/discharge cycle. We use a solid-state three-terminal electrochemical cell that enables simultaneous conductivity measurements and control over electrochemical doping of P3HT. At low oxidation levels (ratio of moles of electrons removed to moles of 3-hexylthiophene moieties in the electrode), the electronic conductivity (σe,ox) increases from 10(-7) S/cm to 10(-4) S/cm. At high oxidation levels, σe,ox approaches 10(-2) S/cm. When P3HT-PEO is used as a conductive binder in a positive electrode with LiFePO4 active material, P3HT is electrochemically active within the voltage window of a charge/discharge cycle. The electronic conductivity of the P3HT-PEO binder is in the 10(-4) to 10(-2) S/cm range over most of the potential window of the charge/discharge cycle. This allows for efficient electronic conduction, and observed charge/discharge capacities approach the theoretical limit of LiFePO4. However, at the end of the discharge cycle, the electronic conductivity decreases sharply to 10(-7) S/cm, which means the "conductive" binder is now electronically insulating. The ability of our conductive binder to switch between electronically conducting and insulating states in the positive electrode provides an unprecedented route for automatic overdischarge protection in rechargeable batteries.

Magmatism evolution on the last Neoproterozoic development stage of the western Siberian active continental margin

NASA Astrophysics Data System (ADS)

Vernikovskaya, Antonina E.; Vernikovsky, Valery A.; Matushkin, Nikolay Yu.; Kadilnikov, Pavel I.; Romanova, Irina V.

2017-04-01

Rocks from active continental margin complexes are characterized by a wide variety of chemical compositions from depleted in alkali to alkali differentiates. When addressing issues of geodynamic settings in which such rocks form, it is important to understand the evolution of the host tectonic structure, as well as the chemical affiliation of the various rocks composing it. The Yenisey Ridge orogen located in the south-western framing of Siberia is one of the more studied regions with a long history of Neoproterozoic magmatic events. This orogen was formed during the collision of the Central Angara terrane with Siberia, which took place 761-718 Ma. Subsequent subduction-related events in the orogen have been recorded in the coeval magmatism (711-629 Ma) of two complexes: one is the active continental margin complex (Nb enriched igneous rocks - gabbroids, trachybasalts, A-type granites and carbonatites, including contact metasomatites zones with Nb mineralization), and the other one is an island arc complex (differentiated series volcanics, gabbroids and plagiogranites). The rocks of these complexes are respectively located in two suture zones: the Tatarka-Ishimba zone that formed due to the collision mentioned above, and the Yenisei suture marking the subduction zone [Vernikovsky et al., 2003; 2008]. The final Neoproterozoic stage in the evolution of the active margin of Siberia is manifested as adakite-gabbro-anorthosite magmatism in the 576-546 Ma interval. Our results indicate a genetic relationship between the adakites and their host NEB-type metabasites of the Zimovey massif. These Neoproterozoic adakites could have formed in a setting of transform-strike-slip drift of lithospheric plates after the subduction stopped, both from a crustal and mantle-crustal source, similarly to the Cenozoic magmatic complexes of the transform margin in the eastern framing of Eurasia [Khanchuk et al., 2016]. Vernikovsky V.A., Vernikovskaya A.E., Kotov A.B., Sal'nikova E.B., Kovach V.P. Neoproterozoic accretionary and collisional events on the western margin of the Siberian craton: new geological and geochronological evidence from the Yenisey Ridge // Tectonophysics, 2003, V. 375, P. 147-168. Vernikovsky V.A., Vernikovskaya A.E., Sal'nikova E.B., Berezhnaya N.G., Larionov A.N., Kotov A.B., Kovach V.P., Vernikovskaya I.V., Matushkin N.Yu., Yasenev A.M. Late Riphean alkaline magmatism in the western margin of the Siberian Craton: A result of continental rifting or accretionary events? // Doklady Earth Sciences, 2008, V. 419, Iss. 1, P. 226-230. Khanchuk A.I., Kemkin I.V., Kruk N.N. The Sikhote-Alin orogenic belt, Russian South East: Terranes and the formation of continental lithosphere based on geological and isotopic Data // Journal of Asian Earth Sciences, 2016, V. 120, P. 117-138.

Antioxidant potential of mulberry and non-mulberry silk sericin and its implications in biomedicine.

PubMed

Kumar, Jadi Praveen; Mandal, Biman B

2017-07-01

Sericin, a principal constituent of silk, is widely used in various biomedical applications. In addition, conferring protection against free radicals and oxidative damage add more value to its therapeutic potential. However, the antioxidant (AO) properties of silk sericin (SS) remains contingent on extraction procedures. In the present study, we have evaluated the effect of different extraction methods (conventional, autoclaving, urea, alkali and acid-degradation) on AO properties of SS from three Indian silk varieties [Antheraea assamensis (AA), Philosamia ricini (PR) and Bombyx mori (BM)]. The physico-chemical characterization studies revealed that the molecular weight of SS isolates of each method ranged from 10 to 220kDa along with varied protein structural biochemistry. SS extracts using urea-degradation (BM, PR and AA), conventional method and alkali-degradation (BM) displayed high percentage of β-sheets, random coils and turns. Acid-degraded SS (PR, followed by AA and BM) showed the highest total flavonoid content while conventional method (PR), autoclaving (AA) and alkali-degradation (BM) displayed lowest flavonoid levels. Interestingly, SS extracted by autoclaving (BM and AA), acid-degradation (PR), conventional and alkali-degradation (BM, AA and PR) methods exhibited 50% reduction of 2, 2-diphenyl-1-picrylhydrazyl (DPPH) radical. Moreover, the efficacy of antioxidant potential of SS extracted by different methods was found to be in the order of "alkali>autoclaving>conventional" as demonstrated in L929 cells. Correspondingly, the anti-lipid peroxidation activity of SS extracted by alkali method (AA, BM and PR) further confirmed better AO properties amid others. Thus, the present study demonstrates that the extraction methods may significantly affect AO activity of SS which might be of importance for potential cosmetic applications. Copyright © 2017 Elsevier Inc. All rights reserved.

Utility of Lithium in Rare-Earth Metal Reduction Reactions to Form Nontraditional Ln2+ Complexes and Unusual [Li(2.2.2-cryptand)]1+ Cations.

PubMed

Huh, Daniel N; Darago, Lucy E; Ziller, Joseph W; Evans, William J

2018-02-19

The utility of lithium compared to other alkali metals in generating Ln 2+ rare-earth metal complexes via reduction of Ln 3+ precursors in reactions abbreviated as LnA 3 /M (Ln = rare-earth metal; A = anionic ligand; M = alkali metal) is described. Lithium reduction of Cp' 3 Ln (Cp' = C 5 H 4 SiMe 3 ; Ln = Y, Tb, Dy, Ho) under Ar in the presence of 2.2.2-cryptand (crypt) forms new examples of crystallographically characterizable Ln 2+ complexes of these metals, [Li(crypt)][Cp' 3 Ln]. In each complex, lithium is found in an N 2 O 4 donor atom coordination geometry that is unusual for the cryptand ligand. Magnetic susceptibility data on these new examples of nontraditional divalent lanthanide complexes are consistent with 4f n 5d 1 electronic configurations. The Dy and Ho complexes have exceptionally high single-ion magnetic moments, 11.35 and 11.67 μ B , respectively. Lithium reduction of Cp' 3 Y under N 2 at -35 °C forms the Y 2+ complex (Cp' 3 Y) 1- , which reduces dinitrogen upon warming to room temperature to generate the (N 2 ) 2- complex [Cp' 2 Y(THF)] 2 (μ-η 2 :η 2 -N 2 ). These results provide insight on the factors that lead to reduced dinitrogen complexes and/or stable divalent lanthanide complexes as a function of the specific reducing agent and conditions.

DNA Replication Arrest and DNA Damage Responses Induced by Alkylating Minor Groove Binders

DTIC Science & Technology

2003-05-01

Alkylating minor groove DNA binder adozelesin is capable of inhibiting DNA replication in treated cells through a trans-acting mechanism. The trans... replication in vitro. Using purified proteins in DNA replication initiation assays, we found that RPA purified from cells treated with adozelesin in not...adozelesin has the same single-stranded DNA binding activity and support nucleotide excision repair as normal RPA, but is not able to support SV40 DNA

Experimental analysis of electrical properties of composite materials

NASA Astrophysics Data System (ADS)

Fiala, L.; Rovnaník, P.; Černý, R.

2017-02-01

Dry cement-based composites are electrically non-conductive materials that behave in electric field like dielectrics. However, a relatively low amount of electrically conductive admixture significantly increases the electrical conductivity which extends applicability of such materials in practice. Therefore, they can be used as self-monitoring sensors controlling development of cracks; as sensors monitoring moisture content or when treated by an external electrical voltage as heat sources used for deicing of material's surface layer. Alkali-activated aluminosilicates (AAA), as competing materials to cement-based materials, are intensively investigated in the present due to their superior durability and environmental impact. Whereas the electrical properties of AAA are similar to those cement-based, they can be enhanced in the same way. In both cases, it is crucial to find a reasonable amount of electrically conductive phase to design composites with a sufficient electrical conductivity at an affordable price. In this paper, electrical properties of composites based on AAA binder and electrically conductive admixture represented by carbon nanotubes (CNT) are investigated. Measurements of electrical properties are carried out by means of 2-probes DC technique on nine types of samples; reference sample without the conductive phase and samples with CNT admixture in amount of 0.1 % - 2.5 % by vol. A significant increase of the electrical conductivity starts from the amount of 0.5 % CNT admixture and in case of 2.5 % CNT is about three orders of magnitude higher compared to the reference sample.

ZnCo2O4-reduced graphene oxide composite with balanced capacitive performance in asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Gao, Zhiyong; Zhang, Lingcui; Chang, Jiuli; Wang, Zhen; Wu, Dapeng; Xu, Fang; Guo, Yuming; Jiang, Kai

2018-06-01

ZnCo2O4-rGO composite with intertwined sheets grown onto nickel foam substrate is prepared through a facile hydrothermal deposition and followed thermal annealing treatment, which can be directly employed as binder free electrode of supercapacitor. The hierarchically porous texture of ZnCo2O4-rGO composite with high specific surface area and efficient ions diffusion channels ensures sufficient faradic reaction of ZnCo2O4 component, therefore enables an ultrahigh electrode specific capacitance (Cs) of 3222 F g-1 at 1 A g-1 in alkali electrolyte, and the Cs still retains to be 860 F g-1 at 20 A g-1. When used as positive electrode of full cell, the ZnCo2O4-rGO//activated carbon (AC) asymmetric supercapacitor can offer a maximum device specific capacitance (Ccell) of 139 F g-1 at 0.5 A g-1 and therefore an energy density (Ecell) of 49.1 Wh kg-1 at power density (Pcell) of 400 W kg-1. Even at high Pcell of 7625 W kg-1, the Ecell of the asymmetric device can still retain to be 18.8 Wh kg-1. More significantly, the asymmetric supercapacitor demonstrates only 6% Ccell fade subjected to 5000 successive charge-discharge cycles. The balanced Ecell, Pcell delivery abilities and high cycleability highlight the potential of the faradic ZnCo2O4-rGO composite in high performance and long lifetime energy storage devices.

Spectroscopic studies of the binding of Cu(II) complexes of oxicam NSAIDs to alternating G-C and homopolymeric G-C sequences

NASA Astrophysics Data System (ADS)

Chakraborty, Sreeja; Bose, Madhuparna; Sarkar, Munna

2014-03-01

Drugs belonging to the Non-steroidal anti-inflammatory (NSAID) group are not only used as anti-inflammatory, analgesic and anti-pyretic agents, but also show anti-cancer effects. Complexing them with a bioactive metal like copper, show an enhancement in their anti-cancer effects compared to the bare drugs, whose exact mechanism of action is not yet fully understood. For the first time, it was shown by our group that Cu(II)-NSAIDs can directly bind to the DNA backbone. The ability of the copper complexes of NSAIDs namely meloxicam and piroxicam to bind to the DNA backbone could be a possible molecular mechanism behind their enhanced anticancer effects. Elucidating base sequence specific interaction of Cu(II)-NSAIDs to the DNA will provide information on their possible binding sites in the genome sequence. In this work, we present how these complexes respond to differences in structure and hydration pattern of GC rich sequences. For this, binding studies of Cu(II) complexes of piroxicam [Cu(II)-(Px)2 (L)2] and meloxicam [Cu(II)-(Mx)2 (L)] with alternating GC (polydG-dC) and homopolymeric GC (polydG-polydC) sequences were carried out using a combination of spectroscopic techniques that include UV-Vis absorption, fluorescence and circular dichroism (CD) spectroscopy. The Cu(II)-NSAIDs show strong binding affinity to both polydG-dC and polydG-polydC. The role reversal of Cu(II)-meloxicam from a strong binder of polydG-dC (Kb = 11.5 × 103 M-1) to a weak binder of polydG-polydC (Kb = 5.02 × 103 M-1), while Cu(II)-piroxicam changes from a strong binder of polydG-polydC (Kb = 8.18 × 103 M-1) to a weak one of polydG-dC (Kb = 2.18 × 103 M-1), point to the sensitivity of these complexes to changes in the backbone structures/hydration. Changes in the profiles of UV absorption band and CD difference spectra, upon complex binding to polynucleotides and the results of competitive binding assay using ethidium bromide (EtBr) fluorescence indicate different binding modes in each case.

Magnesium-based methods, systems, and devices

DOEpatents

Zhao, Yufeng; Ban, Chunmei; Ruddy, Daniel; Parilla, Philip A.; Son, Seoung-Bum

2017-12-12

An aspect of the present invention is an electrical device, where the device includes a current collector and a porous active layer electrically connected to the current collector to form an electrode. The porous active layer includes MgB.sub.x particles, where x.gtoreq.1, mixed with a conductive additive and a binder additive to form empty interstitial spaces between the MgB.sub.x particles, the conductive additive, and the binder additive. The MgB.sub.x particles include a plurality of boron sheets of boron atoms covalently bound together, with a plurality of magnesium atoms reversibly intercalated between the boron sheets and ionically bound to the boron atoms.

Effect of poly(3,4-ethylenedioxythiophene) (PEDOT) in carbon-based composite electrodes for electrochemical supercapacitors

NASA Astrophysics Data System (ADS)

Lei, Chunhong; Wilson, Peter; Lekakou, Constantina

Electrochemical double layer supercapacitor cells were fabricated and tested using composite electrodes of activated carbon with carbon black and poly(3,4-ethylenedioxythiophene) (PEDOT), and an organic electrolyte 1 M TEABF 4/PC solution. The effect of PEDOT on the performance of the EDLC cells was explored and the cells were characterised by electrochemical impedance spectroscopy (EIS), cyclic voltammetry and galvanostatic charge-discharge. A generalised equivalent circuit model was developed for which numerical simulations were performed to determine the properties and parameters of its components from the EIS data. It was found that the proposed model fitted successfully the data of all tested cells. PEDOT enhanced the electrode and cell capacitance via its pseudo-capacitance effect up to a maximum value for an optimum PEDOT loading and greatly increased the energy density of the cell while the maximum power density has been still maintained at supercapacitor levels. Furthermore, PEDOT replaced PVDF as a binder and harmful solvent release was reduced during electrode processing. Activated carbon-carbon black composite electrodes with PEDOT as binder were found to have specific capacitance superior to that of activated carbon-carbon black electrodes with PVDF binder.

Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulations.

PubMed

Dudev, Todor; Devereux, Mike; Meuwly, Markus; Lim, Carmay; Piquemal, Jean-Philip; Gresh, Nohad

2015-02-15

The alkali metal cations in the series Li(+)-Cs(+) act as major partners in a diversity of biological processes and in bioinorganic chemistry. In this article, we present the results of their calibration in the context of the SIBFA polarizable molecular mechanics/dynamics procedure. It relies on quantum-chemistry (QC) energy-decomposition analyses of their monoligated complexes with representative O-, N-, S-, and Se- ligands, performed with the aug-cc-pVTZ(-f) basis set at the Hartree-Fock level. Close agreement with QC is obtained for each individual contribution, even though the calibration involves only a limited set of cation-specific parameters. This agreement is preserved in tests on polyligated complexes with four and six O- ligands, water and formamide, indicating the transferability of the procedure. Preliminary extensions to density functional theory calculations are reported. © 2014 Wiley Periodicals, Inc.

Characterization of polymeric binders for Metal Injection Molding (MIM) process

NASA Astrophysics Data System (ADS)

Adames, Juan M.

The Metal Injection Molding (MIM) process is an economically attractive method of producing large amounts of small and complex metallic parts. This is achieved by combining the productivity of injection molding with the versatility of sintering of metal particulates. In MIM, the powdered metal is blended with a plastic binder to obtain the feedstock. The binder imparts flowability to the blend at injection molding conditions and strength at ambient conditions. After molding, the binder is removed in a sequence of steps that usually involves solvent-extraction and polymer burn-out. Once the binder is removed, the metal particles are sintered. In this research several topics of the MIM process were studied to understand how the polymeric binder, similar to the one used in the sponsoring company, works. This was done by examining the compounding and water debinding processes, the rheological and thermal properties, and the microstructure of the binder/metal composite at different processing stages. The factors studied included the metal contents, the composition of the binder and the processing conditions. The three binders prepared during the course of this research were blends of a polyolefin, polyoxymethylene copolymer (POM) and a water-soluble polymer (WSP). The polyolefin resins included polypropylene (PP), high-density polyethylene (HDPE) and linear low-density polyethylene (LLDPE). The powdered metal in the feedstocks was 316 L stainless steel. The compounding studies were completed in an internal mixer under different conditions of temperature, rotational speed and feedstock composition. It was found that the metal concentration was the most important factor in determining the torque evolution curves. The observation of microstructure with Scanning Electron Microscope (SEM) at different stages during compounding revealed that the metal particles neither agglomerate nor touch each other. The liquid extraction of the water-soluble polymer (WSP) from the molded parts (or water debinding) was investigated using two configurations of flow of water relative to the samples. Both permitted the reduction of the mass transfer resistance outside the parts, revealing information on the diffusion of the WSP inside the part exclusively. The debinding studies showed that a single effective diffusivity could be used to model the extraction process of the binder from molded parts. This approach is more accurate when the debinding time is above 2 hours. Steady shear and dynamic experiments were conducted on the binder and feedstocks samples containing LLDPE. The results of both experiments revealed that the feedstocks did not show yield stress even though the highest metal content was 64% by volume. Therefore, it was concluded that there were only hydrodynamic interactions between the metal particles. The thermal characterization of binders, polymers and feedstocks included differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The DSC tests were performed after preheating and quenching of the samples. The heating rate was 20°C/min. The TGA scans were conducted from room temperature to 700°C at 20°C/min. The DSC tests revealed that the melting point of the polymers depressed when blended in the binders and feedstocks. The depression was more intense for POM and the water-soluble polymer than for the polyolefins. Therefore, it was concluded that the melting point depression of POM and the water-soluble polymer was caused by their entrapment in the polyolefin matrix and in between the metal particles. The TGA scans showed that the feedstocks with higher metal concentration had higher final decomposition temperature, but similar onset temperature. The reason was that the higher the metal concentration the more difficult the diffusion of the products of the decomposition of the binder out of the samples. The morphological studies revealed that the binders were heterogeneous showing domains of the polar resins, embedded in a continuous phase composed of polyolefin. This distribution of phases was the result of the immiscibility between the polymeric components, and of the higher concentration (>70 vol%) of the polyolefin with respect to the polar components (polyoxymethylene and water-soluble polymer). The deformation during steady shear testing and compounding of the binder with the metal modified the size of the dispersed domains. The steady shearing increased the size of the dispersed domains by coalescence of the particles. On the other hand, the presence of powdered metal during compounding forced a redistribution of the dispersed phases. Apparently, a thin heterogeneous layer of binder surrounded the metal particles while most of the polyolefin occupied the space between the coated metal particles. The SEM study on samples obtained after water debinding revealed that the water-soluble polymer did not distribute uniformly on the surface of the molded disk of feedstock used for water debinding tests.

Development of a cDNA microarray to identify gene expression of Puccinellia tenuiflora under saline-alkali stress.

PubMed

Wang, Yucheng; Yang, Chuanping; Liu, Guifeng; Jiang, Jing

2007-08-01

Puccinellia tenuiflora is the main grass species growing in the saline-alkali soil of the Songnen plain in northeastern China, suggesting it has a high tolerance to saline stress. In this study, cDNA microarrays containing 1067 clones of P. tenuiflora were constructed to investigate gene expression patterns resulting from saline-alkali (NaHCO(3)) stress. RNA was extracted from P. tenuiflora treated with 400 mmol L(-1) NaHCO(3) for 6, 12, 24 and 48 h. Untreated (no saline-alkali stress) samples were used as control. A total of 95 transcripts were differentially regulated under the conditions studied, and 38, 35, 25 and 49 genes were differentially expressed with NaHCO(3) stress for 6, 12, 24 and 48h, respectively. Among these, approximately 40% were putative novel or functionally unknown genes, and the remainder function in photosynthesis, cell rescue, defense, transport, metabolism, transcription regulation and protein destination, etc. Analysis of the P. tenuiflora genes demonstrated the complexity of, and differences in, gene expression patterns resulting from different NaHCO(3) stress times. The genetic relationship between P. tenuiflora and other plants was investigated by BlastN analysis. The results showed nearly 20% of the expressed sequence tags from P. tenuiflora shared significant similarities with rice Oryza sativa, an important food crop. The close genetic relationship between these two species suggests that P. tenuiflora may be a good plant model for studying saline-alkali tolerance mechanisms in O. sativa.

Synthesis and characterization of a new Inonotus obliquus polysaccharide-iron(III) complex.

PubMed

Wang, Jia; Chen, Haixia; Wang, Yanwei; Xing, Lisha

2015-04-01

A new Inonotus obliquus polysaccharide-iron(III) complex (IOPS-iron) was synthesized and characterized. The preparation conditions of IOPS-iron(III) were optimized and the physicochemical properties were characterized by physicochemical methods, scanning electron microscopy (SEM), electron paramagnetic resonance (EPR) spectroscopy, fourier transform infrared (FTIR) spectroscopy, circular dichroism (CD) spectroscopy and nuclear magnetic resonance (NMR) spectroscopy, respectively. The highest iron content of IOPS-iron(III) complex (19.40%) was obtained at the conditions: the ratio of IOPS and FeCl3 • 6H2O was 3:5 (w/w), the pH value of alkali solution was 10, the reaction temperature was 30 °C and the reaction time was 6h. The iron(III) was shown to be bound through the binding sites of the polysaccharide IOPS and it could form spatially separated iron centers on the polysaccharide backbone. IOPS-iron(III) complex was found to have good digestive availability and antioxidant activities in the in vitro assays, which suggested the IOPS-iron(III) complex might be used as a new iron supplement candidate. Copyright © 2015 Elsevier B.V. All rights reserved.

Epidermal growth factor-induced phosphatidylinositol 3-kinase activation and DNA synthesis. Identification of Grb2-associated binder 2 as the major mediator in rat hepatocytes.

PubMed

Kong, M; Mounier, C; Wu, J; Posner, B I

2000-11-17

In previous work we showed that the phosphatidylinositol 3-kinase (PI3-kinase), not the mitogen-activated protein kinase, pathway is necessary and sufficient to account for insulin- and epidermal growth factor (EGF)-induced DNA synthesis in rat hepatocytes. Here, using a dominant-negative p85, we confirmed the key role of EGF-induced PI3-kinase activation and sought to identify the mechanism by which this is effected. Our results show that EGF activates PI3-kinase with a time course similar to that of the association of p85 with three principal phosphotyrosine proteins (i. e. PY180, PY105, and PY52). We demonstrated that each formed a distinct p85-associated complex. PY180 and PY52 each constituted about 10% of EGF-activated PI3-kinase, whereas PY105 was responsible for 80%. PY105 associated with Grb2 and SHP-2, and although it behaved like Gab1, none of the latter was detected in rat liver. We therefore cloned a cDNA from rat liver, which was found to be 95% homologous to the mouse Grb2-associated binder 2 (Gab2) cDNA sequence. Using a specific Gab2 antibody, we demonstrated its expression in and association with p85, SHP-2, and Grb2 upon EGF treatment of rat hepatocytes. Gab2 accounted for most if not all of the PY105 species, since immunoprecipitation of Gab2 with specific antibodies demonstrated parallel immunodepletion of Gab2 and PY105 from the residual supernatants. We also found that the PI3-kinase activity associated with Gab2 was totally abolished by dominant negative p85. Thus, Gab2 appears to be the principal EGF-induced PY protein recruiting and activating PI3-kinase and mitogenesis.

Comparison between Palm Oil Derivative and Commercial Thermo-Plastic Binder System on the Properties of the Stainless Steel 316L Sintered Parts

NASA Astrophysics Data System (ADS)

Ibrahim, R.; Azmirruddin, M.; Wei, G. C.; Fong, L. K.; Abdullah, N. I.; Omar, K.; Muhamad, M.; Muhamad, S.

2010-03-01

Binder system is one of the most important criteria for the powder injection molding (PIM) process. Failure in the selection of the binder system will affect on the final properties of the sintered parts. The objectives of this studied is to develop a novel binder system based on the local natural resources and environmental friendly binder system from palm oil derivative which is easily available and cheap in our country of Malaysia. The novel binder that has been developed will be replaced the commercial thermo-plastic binder system or as an alternative binder system. The results show that the physical and mechanical properties of the final sintered parts fulfill the Metal Powder Industries Federation (MPIF) standard 35 for PIM parts. The biocompatibility test using cell osteosarcoma (MG63) and vero fibroblastic also shows that the cell was successfully growth on the sintered stainless steel 316L parts indicate that the novel binder was not toxic. Therefore, the novel binder system based on palm oil derivative that has been developed as a binder system fulfills the important criteria for the binder system in PIM process.

Effect of Fe2O3 and Binder on the Electrochemical Properties of Fe2O3/AB (Acetylene Black) Composite Electrodes

NASA Astrophysics Data System (ADS)

Anh, Trinh Tuan; Thuan, Vu Manh; Thang, Doan Ha; Hang, Bui Thi

2017-06-01

In an effort to find the best anode material for Fe/air batteries, a Fe2O3/AB (Acetylene Black) composite was prepared by dry-type ball milling using Fe2O3 nanoparticles and AB as the active and additive materials, respectively. The effects of various binders and Fe2O3 content on the electrochemical properties of Fe2O3/AB electrodes in alkaline solution were investigated. It was found that the content of Fe2O3 strongly affected the electrochemical behavior of Fe2O3/AB electrodes; with Fe2O3 nanopowder content reaching 70 wt.% for the electrode and showing improvement of the cyclability. When the electrode binder polytetrafluoroethylene (PTFE) was used, clear redox peaks were observed via cyclic voltammetry (CV), while polyvinylidene fluoride-containing electrodes provided CV curves with unobservable redox peaks. Increasing either binder content in the electrode showed a negative effect in terms of the cyclability of the Fe2O3/AB electrode.

SnO2 promoted by alkali metal oxides for soot combustion: The effects of surface oxygen mobility and abundance on the activity

NASA Astrophysics Data System (ADS)

Rao, Cheng; Shen, Jiating; Wang, Fumin; Peng, Honggen; Xu, Xianglan; Zhan, Hangping; Fang, Xiuzhong; Liu, Jianjun; Liu, Wenming; Wang, Xiang

2018-03-01

In this study, SnO2-based catalysts promoted by different alkali metal oxides with a Sn/M (M = Li, Na, K, Cs) molar ratio of 9/1 have been prepared for soot combustion. In comparison with the un-modified SnO2 support, the activity of the modified catalysts has been evidently enhanced, following the sequence of CsSn1-9 > KSn1-9 > NaSn1-9 > LiSn1-9 > SnO2. As testified by Raman, H2-TPR, soot-TPR-MS, XPS and O2-TPD results, the incorporation of various alkali metal oxides can induce the formation of more abundant and mobile oxygen species on the surface of the catalysts. Moreover, quantified results have proved that the amount of the surface active oxygen species is nearly proportional to the activity of the catalysts. CsSn1-9, the catalyst promoted by cesium oxide, owns the largest amount of surface mobile oxygen species, thus having the highest activity among all the studied catalysts. It is concluded that the amount of surface active and mobile oxygen species is the major factor determining the activity of the catalysts for soot combustion.

Study on the poisoning effect-of non-vanadium catalysts by potassium

NASA Astrophysics Data System (ADS)

Zeng, Huanmu; Liu, Ying; Yu, Xiaowei; Lin, Yasi

2018-02-01

The poisoning effect of catalyst by alkali metals is one of the problems in the selective catalytic reduction (SCR) of NO by NH3. Serious deactivation by alkali poisoning have been proved to take place in the commercial vanadium catalyst. Recently, non-vanadium catalysts such as copper oxides, manganese oxides, chromium oxides and cerium oxides have attracted special attentions in SCR application. However, their tolerance in the presence of alkali metals is still doubtful. In this paper, copper oxides, manganese oxides, chromium oxides and cerium oxides supported on TiO2 nanoparticle was prepared by impregnating method. Potassium nitrate was chosen as the precursor of poisoner. Catalytic activities of these catalysts were evaluated before and after the addition of potassium. Some characterization methods including X-ray diffraction and temperature programmed desorption was utilized to reveal the main reason of alkali deactivation.

Resistance to minor groove binders.

PubMed

Colmegna, Benedetta; Uboldi, Sarah; Erba, Eugenio; D'Incalci, Maurizio

2014-03-01

In this paper multiple resistance mechanisms to minor groove binders (MGBs) are overviewed. MGBs with antitumor properties are natural products or their derivatives and, as expected, they are all substrates of P-glycoprotein (P-gp). However, a moderate expression of P-gp does not appear to reduce the sensitivity to trabectedin, the only MGB so far approved for clinical use. Resistance to this drug is often related to transcriptional mechanisms and to DNA repair pathways, particularly defects in transcription-coupled nucleotide excision repair (TC-NER). Therefore tumors resistant to trabectedin may become hypersensitive to UV rays and other DNA damaging agents acting in the major groove, such as Platinum (Pt) complexes. If this is confirmed in clinic, that will provide the rationale to combine trabectedin sequentially with Pt derivates.

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening

NASA Astrophysics Data System (ADS)

Hsieh, Jui-Hua; Wang, Xiang S.; Teotico, Denise; Golbraikh, Alexander; Tropsha, Alexander

2008-09-01

The use of inaccurate scoring functions in docking algorithms may result in the selection of compounds with high predicted binding affinity that nevertheless are known experimentally not to bind to the target receptor. Such falsely predicted binders have been termed `binding decoys'. We posed a question as to whether true binders and decoys could be distinguished based only on their structural chemical descriptors using approaches commonly used in ligand based drug design. We have applied the k-Nearest Neighbor ( kNN) classification QSAR approach to a dataset of compounds characterized as binders or binding decoys of AmpC beta-lactamase. Models were subjected to rigorous internal and external validation as part of our standard workflow and a special QSAR modeling scheme was employed that took into account the imbalanced ratio of inhibitors to non-binders (1:4) in this dataset. 342 predictive models were obtained with correct classification rate (CCR) for both training and test sets as high as 0.90 or higher. The prediction accuracy was as high as 100% (CCR = 1.00) for the external validation set composed of 10 compounds (5 true binders and 5 decoys) selected randomly from the original dataset. For an additional external set of 50 known non-binders, we have achieved the CCR of 0.87 using very conservative model applicability domain threshold. The validated binary kNN QSAR models were further employed for mining the NCGC AmpC screening dataset (69653 compounds). The consensus prediction of 64 compounds identified as screening hits in the AmpC PubChem assay disagreed with their annotation in PubChem but was in agreement with the results of secondary assays. At the same time, 15 compounds were identified as potential binders contrary to their annotation in PubChem. Five of them were tested experimentally and showed inhibitory activities in millimolar range with the highest binding constant Ki of 135 μM. Our studies suggest that validated QSAR models could complement structure based docking and scoring approaches in identifying promising hits by virtual screening of molecular libraries.

EFFICACY OF SERVO-CONTROLLED SPLANCHNIC VENOUS COMPRESSION IN THE TREATMENT OF ORTHOSTATIC HYPOTENSION. A RANDOMIZED COMPARISON WITH MIDODRINE

PubMed Central

Okamoto, Luis E.; Diedrich, André; Baudenbacher, Franz J.; Harder, René; Whitfield, Jonathan S.; Iqbal, Fahad; Gamboa, Alfredo; Shibao, Cyndya A.; Black, Bonnie K.; Raj, Satish R.; Robertson, David; Biaggioni, Italo

2016-01-01

Splanchnic venous pooling is a major hemodynamic determinant of orthostatic hypotension (OH), but is not specifically targeted by pressor agents, the mainstay of treatment. We developed an automated inflatable abdominal binder that provides sustained servo-controlled venous compression (40 mmHg) and can be activated only on standing. We tested the efficacy of this device against placebo and compared it to midodrine in nineteen autonomic failure patients randomized to receive either placebo, midodrine (2.5–10 mg) or placebo combined with binder on separate days in a single-blind, crossover study. Systolic blood pressure (SBP) was measured seated and standing before and 1-hour post-medication; the binder was inflated immediately before standing. Only midodrine increased seated SBP (31±5 vs. 9±4 placebo and 7±5 binder, P=0.003); whereas orthostatic tolerance (defined as area under the curve of upright SBP [AUCSBP]) improved similarly with binder and midodrine (AUCSBP, 195±35 and 197±41 vs. 19±38 mmHg*min for placebo, P=0.003). Orthostatic symptom burden decreased with the binder (from 21.9±3.6 to 16.3±3.1, P=0.032) and midodrine (from 25.6±3.4 to 14.2±3.3, P<0.001), but not with placebo (from 19.6±3.5 to 20.1±3.3, P=0.756). We also compared the combination of midodrine and binder, with midodrine alone. The combination produced a greater increase in orthostatic tolerance (AUCSBP, 326±65 vs. 140±53 mmHg*min for midodrine alone, P=0.028, n=21), and decreased orthostatic symptoms (from 21.8±3.2 to 12.9±2.9, P<0.001). In conclusion, servo-controlled abdominal venous compression with an automated inflatable binder is as effective as midodrine, the standard of care, in the management of OH. Combining both therapies produces greater improvement in orthostatic tolerance. PMID:27271310

High performance polymer chemical hydrogel-based electrode binder materials for direct borohydride fuel cells

NASA Astrophysics Data System (ADS)

Choudhury, Nurul A.; Ma, Jia; Sahai, Yogeshwar; Buchheit, Rudolph G.

Novel, cost-effective, high-performance, and environment-friendly electrode binders, comprising polyvinyl alcohol chemical hydrogel (PCH) and chitosan chemical hydrogel (CCH), are reported for direct borohydride fuel cells (DBFCs). PCH and CCH binders-based electrodes have been fabricated using a novel, simple, cost-effective, time-effective, and environmentally benign technique. Morphologies and electrochemical performance in DBFCs of the chemical hydrogel binder-based electrodes have been compared with those of Nafion ® binder-based electrodes. Relationships between the performance of binders in DBFCs with structural features of the polymers and the polymer-based chemical hydrogels are discussed. The CCH binder exhibited better performance than a Nafion ® binder whereas the PCH binder exhibited comparable performance to Nafion ® in DBFCs operating at elevated cell temperatures. The better performance of CCH binder at higher operating cell temperatures has been ascribed to the hydrophilic nature and water retention characteristics of chitosan. DBFCs employing CCH binder-based electrodes and a Nafion ®-117 membrane as an electrolyte exhibited a maximum peak power density of about 589 mW cm -2 at 70 °C.

Targeting Yes-associated Protein with Evolved Peptide Aptamers to Disrupt TGF-β Signaling Pathway: Therapeutic Implication for Bone Tumor.

PubMed

Ji, Wei-Ping; Dong, Yang

2015-11-01

The binding of transcription coactivator Yes-associated protein (YAP) to Smad transcription factors is an important event in activating transforming growth factor-β (TGF-β) signaling pathway, which is involved in the tumorigenicity and metastasis of bone tumor. Design of peptide aptamers to disrupt YAPSmad interaction has been established as a promising approach for bone tumor therapy. Here, an evolution strategy was used to optimize Smad-derived peptides for high potency binding to YAP WW2 domain, resulting in an improved peptide population, from which those high-scoring candidates were characterized rigorously using molecular dynamics (MD) simulations and interaction free energy calculations. With the computational protocol we were able to generate a number of potential domain binders, which were then substantiated by using fluorescence spectroscopy assay. Subsequently, the complex structure of YAP WW2 domain with a high-affinity peptide was modeled and examined in detail, which was then used to guide structure-based peptide optimization to obtain several strong domain binders. Structural and energetic analysis revealed that electrostatic complementarity is primarily responsible for domainpeptide recognition, while other nonbonded interactions such as hydrogen bonding and salt bridges can contribute significantly to the recognition specificity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantitative interaction screen of telomeric repeat-containing RNA reveals novel TERRA regulators

PubMed Central

Scheibe, Marion; Arnoult, Nausica; Kappei, Dennis; Buchholz, Frank; Decottignies, Anabelle; Butter, Falk; Mann, Matthias

2013-01-01

Telomeres are actively transcribed into telomeric repeat-containing RNA (TERRA), which has been implicated in the regulation of telomere length and heterochromatin formation. Here, we applied quantitative mass spectrometry (MS)–based proteomics to obtain a high-confidence interactome of TERRA. Using SILAC-labeled nuclear cell lysates in an RNA pull-down experiment and two different salt conditions, we distinguished 115 proteins binding specifically to TERRA out of a large set of background binders. While TERRA binders identified in two previous studies showed little overlap, using quantitative mass spectrometry we obtained many candidates reported in these two studies. To test whether novel candidates found here are involved in TERRA regulation, we performed an esiRNA-based interference analysis for 15 of them. Knockdown of 10 genes encoding candidate proteins significantly affected total cellular levels of TERRA, and RNAi of five candidates perturbed TERRA recruitment to telomeres. Notably, depletion of SRRT/ARS2, involved in miRNA processing, up-regulated both total and telomere-bound TERRA. Conversely, knockdown of MORF4L2, a component of the NuA4 histone acetyltransferase complex, reduced TERRA levels both globally and for telomere-bound TERRA. We thus identified new proteins involved in the homeostasis and telomeric abundance of TERRA, extending our knowledge of TERRA regulation. PMID:23921659

Impact of the Ageing on Viscoelastic Properties of Bitumen with the Liquid Surface Active Agent at Operating Temperatures

NASA Astrophysics Data System (ADS)

Iwański, Marek; Cholewińska, Malgorzata; Mazurek, Grzegorz

2017-10-01

The paper presents the influence of the ageing on viscoelastic properties of the bitumen at road pavement operating temperatures. The ageing process of bituminous binders causes changes in physical and mechanical properties of the bitumen. This phenomenon takes place in all stages of bituminous mixtures manufacturing, namely: mixing, storage, transport, placing. Nevertheless, during the service life it occurs the increase in stiffness of asphalt binder that is caused by the physical hardening of bitumen as well as the influence of oxidation. Therefore, it is important to identify the binder properties at a high and low operating temperatures of asphalt pavement after simulation of an ageing process. In the experiment as a reference bitumen, the polymer modified bitumen PMB 45/80-65 was used. The liquid surface active agent FA (fatty amine) was used as a bitumen viscosity-reducing modifier. It was added in the amount of 0,2%, 0,4% and 0,6% by the bitumen mass. All binder properties have been determined before ageing (NEAT) and after long-term ageing simulated by the Pressure Ageing Vessel method (PAV). To determine the binder properties at high temperatures the dynamic viscosity at 60°C was tested. On the basis of test results coming from the dynamic viscosity test it was calculated the binder hardening index. The properties at a low temperature were determined by measuring the creep modulus using Bending Beam Rheometer (BBR) at four temperatures: -10°C, -16°C, -22°C and -28°C. The stiffness creep modulus “S” and parameter “m” were determined. On the basis of dynamic viscosity test it was found that the ageing process caused a slight decrease in a dynamic viscosity. The level of a hardening index considerably increased at 0.6% fatty amine content. The long-term ageing process had a minor effect on stiffening of a polymer modified bitumen with FA additive regardless of a low temperature and an amount of fatty amine content.

Peptide-DNA conjugates as tailored bivalent binders of the oncoprotein c-Jun.

PubMed

Pazos, Elena; Portela, Cecilia; Penas, Cristina; Vázquez, M Eugenio; Mascareñas, José L

2015-05-21

We describe a ds-oligonucleotide-peptide conjugate that is able to efficiently dismount preformed DNA complexes of the bZIP regions of oncoproteins c-Fos and c-Jun (AP-1), and therefore might be useful as disrupters of AP-1-mediated gene expression pathways.

Thermodynamics and Kinetics of Na+/K+-Formate Ion Pairs Association in Polarizable Water: A Molecular Dynamics Study

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

Nguyen, Phuong T.; Nguyen, Van T.; Annapureddy, Harsha V.

2012-12-03

To elevate our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very complex free energy landscape was observed, much more so than alkali-halide ion pairs. Furthermore, stronger binding between the Na+-formate pair was found in comparison to the K+-formate pair in water, a finding that agrees with experimental and theoretical studies of these systems. The kinetics of ion-pair interconversions were studied using transition rate theory, along with a variety of theoretical approachesmore » such as the Kramers and Grote Hynes theories. These rate results were used to predict solvent effects on dynamical features of contact ion-pair association, in which faster dynamics were found for K+-formate pairs than for Na+-formate pairs. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle.« less

Gold nanoparticles bound on microgel particles and their application as an enzyme support

NASA Astrophysics Data System (ADS)

Xu, Jing; Zeng, Fang; Wu, Shuizhu; Liu, Xinxing; Hou, Chao; Tong, Zhen

2007-07-01

Submicron-sized poly(N-isopropyl acrylamide)/polyethyleneimine core-shell microgels were prepared in aqueous media by using tert-butyl hydroperoxide (TBHP) as an initiator, and then the gold nanoparticles (~8 nm) were formed on the surface of the microgels. The amino groups on the polyethyleneimine (PEI) chains act as the binder for the assembly of the gold nanoparticles/microgel complex. In aqueous media the microgels are highly stable with the gold nanoparticles on their extended PEI chains, and this multi-scale nanoparticle complex can be recovered from water and redispersed in water. The nanogold/microgel particles were conjugated with the enzymes horseradish peroxidase (HRP) and urease. It is found that under identical assay conditions the enzyme/nanogold/microgel systems exhibit enhanced biocatalytic activity over free enzymes in solution, especially at lower enzyme concentrations. In addition, compared to free HRP, the HRP/nanogold/microgel systems show higher activity at varied pHs and temperatures, as well as higher storage stability. Thus the novel nanogold/microgel particles can serve as an excellent support for enzymes.

The importance of binder moisture content in Metformin HCL high-dose formulations prepared by moist aqueous granulation (MAG).

PubMed

Takasaki, Hiroshi; Yonemochi, Etsuo; Ito, Masanori; Wada, Koichi; Terada, Katsuhide

2015-01-01

The aim of this study was to evaluate binders to improve the flowability of granulates and compactibility of Metformin HCL (Met) using the moist aqueous granulation (MAG) process. The effect of the binder moisture content on granulate and tablet quality was also evaluated. Vinylpyrrolidone-vinyl acetate copolymer (Kollidon VA64 fine: VA64), polyvidone (Povidone K12: PVP), hydroxypropyl cellulose (HPC SSL SF: HPC) and hydroxypropyl methylcellulose (Methocel E5 LV: HPMC) were evaluated as binders. These granulates, except for HPMC, had a lower yield pressure than Met active pharmaceutical ingredient (API). HPMC Met was not sufficiently granulated with low water volume. No problems were observed with the VA64 Met granulates during the tableting process. However, HPC Met granulates had a bowl-forming tendency, and PVP Met granulates had the tendency to stick during the tableting process. These bowl-forming and sticking tendencies may have been due to the low moisture absorbency of HPC and the high volume of bound water of PVP, respectively. VA64 Met granulates had the highest ambient moisture content (bulk water, bound water) and moisture absorbency. It was concluded that the type of binder used for the Met MAG process has an impact on granulate flow and compactibility, as well as moisture absorbency and maintenance of moisture balance.

The importance of binder moisture content in Metformin HCL high-dose formulations prepared by moist aqueous granulation (MAG)

PubMed Central

Takasaki, Hiroshi; Yonemochi, Etsuo; Ito, Masanori; Wada, Koichi; Terada, Katsuhide

2015-01-01

The aim of this study was to evaluate binders to improve the flowability of granulates and compactibility of Metformin HCL (Met) using the moist aqueous granulation (MAG) process. The effect of the binder moisture content on granulate and tablet quality was also evaluated. Vinylpyrrolidone–vinyl acetate copolymer (Kollidon VA64 fine: VA64), polyvidone (Povidone K12: PVP), hydroxypropyl cellulose (HPC SSL SF: HPC) and hydroxypropyl methylcellulose (Methocel E5 LV: HPMC) were evaluated as binders. These granulates, except for HPMC, had a lower yield pressure than Met active pharmaceutical ingredient (API). HPMC Met was not sufficiently granulated with low water volume. No problems were observed with the VA64 Met granulates during the tableting process. However, HPC Met granulates had a bowl-forming tendency, and PVP Met granulates had the tendency to stick during the tableting process. These bowl-forming and sticking tendencies may have been due to the low moisture absorbency of HPC and the high volume of bound water of PVP, respectively. VA64 Met granulates had the highest ambient moisture content (bulk water, bound water) and moisture absorbency. It was concluded that the type of binder used for the Met MAG process has an impact on granulate flow and compactibility, as well as moisture absorbency and maintenance of moisture balance. PMID:26779418

Silica Fume Functionalized With Amine-Based Additives as a Modifier to Enhance Asphalt Resistance to Oxidation

NASA Astrophysics Data System (ADS)

Abutalib, Nader Turki

This dissertation investigates the practical feasibility of functionalizing silica fume particles with the amine groups in Bio-binder and pure APTES chemical to disperse silica fume in asphalt binder matrix to produce silica-fume-modified binder (SFMB). Dispersed silica fume was then introduced to asphalt to reduce oxidative aging. It has been widely reported that asphalt binder oxidation is one of the phenomena that reduces the service life of asphalt pavement by negatively affecting its rheological properties. This in turn can lead to a more brittle pavement, which is more prone to cracks due to thermal stress and traffic loading. It has been shown that the introduction of 4% silica fume to asphalt can reduce asphalt oxidative aging. However, the challenge with a higher percentage of silica fume was found to be the agglomeration of nano- particles to form micro-size clusters, which can reduce the effectiveness of silica fume while making asphalt binder more susceptible to shear. Therefore, this dissertation studies the effectiveness of functionalizing the SFMB to reduce asphalt oxidative aging while alleviating the agglomeration effect. To do so, various percentages of bio-binder (BB) and bio-char (BC) were introduced to SFMB, and the rheological properties and high-temperature performance of each specimen were evaluated by measuring the rotational viscosity and complex shear modulus before and after oxidative aging. It is hypothesized that fine-graded BC and BB with nano- to micro-level particles can be used to reduce asphalt oxidation and create a new generation of low- agglomeration SFMB with higher resistance to oxidative aging. To further study the effects of functionalization on dispersion of silica fume, silica fume particles were produced with different functional groups: amine (APTES) groups and phosphonate (THPMP) groups. Agglomeration studies using a scanning electron microscope and zeta potential analysis indicate that modifying asphalt binder with amine-modified silica fume particles can reduce the agglomeration of the silica fume particles. The performance characteristics of functionalized silica fume particles and non-functionalized silica fume particles are compared with those of base asphalt. The following research hypotheses were investigated: 1) Functionalized and well-dispersed silica fume will enhance asphalt's aging resistance. 2) The amine groups in functionalizing agent interact with silica fume particles and promote their dispersion. To test these hypotheses, a rotational viscometer was used to study the effect of functionalized-silica-fume-modified binder on the high-temperature properties of the asphalt binder. Fourier transform infrared spectroscopy analysis was used to determine the chemical compounds of the amine-group silica-fume- modified binder matrix. Scanning electron microscopy was used to observe the surface morphology and analyze the microstructure characteristics of materials. The positive effect of amine groups on the rheological properties of SFMB could be attributed to the high surface area of the silica fume and its granular particles with high polarity, factors that could improve the blending properties of the bio-modified silica fume and result in a uniformly distributed silica- fume-modified matrix with enhanced oxidative aging resistance. Surface adsorption of amines on silica fume particles helps promote repulsive forces between them to enhance dispersion.

Electron/Ion Transport Enhancer in High Capacity Li-Ion Battery Anodes

DOE PAGES

Kwon, Yo Han; Minnici, Krysten; Huie, Matthew M.; ...

2016-08-30

In this paper, magnetite (Fe 3O 4) was used as a model high capacity metal oxide active material to demonstrate advantages derived from consideration of both electron and ion transport in the design of composite battery electrodes. The conjugated polymer, poly[3-(potassium-4-butanoate) thiophene] (PPBT), was introduced as a binder component, while polyethylene glycol (PEG) was coated onto the surface of Fe 3O 4 nanoparticles. The introduction of PEG reduced aggregate size, enabled effective dispersion of the active materials and facilitated ionic conduction. As a binder for the composite electrode, PPBT underwent electrochemical doping which enabled the formation of effective electrical bridgesmore » between the carbon and Fe 3O 4 components, allowing for more efficient electron transport. Additionally, the PPBT carboxylic moieties effect a porous structure, and stable electrode performance. Finally, the methodical consideration of both enhanced electron and ion transport by introducing a carboxylated PPBT binder and PEG surface treatment leads to effectively reduced electrode resistance, which improved cycle life performance and rate capabilities.« less

Evaluation of hybrid binder for use in surface mixtures in Florida : final report, June 2009.

DOT National Transportation Integrated Search

2009-06-01

Binder and mixture tests were performed to evaluate the relative performance of a PG 67-22 base binder and six other commercially available binders produced by modifying the same base binder with the following modifiers: one Styrene Butadiene Styrene...

Alkali metals in addition to acidic pH activate the EvgS histidine kinase sensor in Escherichia coli.

PubMed

Eguchi, Yoko; Utsumi, Ryutaro

2014-09-01

Two-component signal transduction systems (TCSs) in bacteria perceive environmental stress and transmit the information via phosphorelay to adjust multiple cellular functions for adaptation. The EvgS/EvgA system is a TCS that confers acid resistance to Escherichia coli cells. Activation of the EvgS sensor initiates a cascade of transcription factors, EvgA, YdeO, and GadE, which induce the expression of a large group of acid resistance genes. We searched for signals activating EvgS and found that a high concentration of alkali metals (Na(+), K(+)) in addition to low pH was essential for the activation. EvgS is a histidine kinase, with a large periplasmic sensor region consisting of two tandem PBPb (bacterial periplasmic solute-binding protein) domains at its N terminus. The periplasmic sensor region of EvgS was necessary for EvgS activation, and Leu152, located within the first PBPb domain, was involved in the activation. Furthermore, chimeras of EvgS and PhoQ histidine kinases suggested that alkali metals were perceived at the periplasmic sensor region, whereas the cytoplasmic linker domain, connecting the transmembrane region and the histidine kinase domain, was required for low-pH perception. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Experimental validation of FINDSITEcomb virtual ligand screening results for eight proteins yields novel nanomolar and micromolar binders

PubMed Central

2014-01-01

Background Identification of ligand-protein binding interactions is a critical step in drug discovery. Experimental screening of large chemical libraries, in spite of their specific role and importance in drug discovery, suffer from the disadvantages of being random, time-consuming and expensive. To accelerate the process, traditional structure- or ligand-based VLS approaches are combined with experimental high-throughput screening, HTS. Often a single protein or, at most, a protein family is considered. Large scale VLS benchmarking across diverse protein families is rarely done, and the reported success rate is very low. Here, we demonstrate the experimental HTS validation of a novel VLS approach, FINDSITEcomb, across a diverse set of medically-relevant proteins. Results For eight different proteins belonging to different fold-classes and from diverse organisms, the top 1% of FINDSITEcomb’s VLS predictions were tested, and depending on the protein target, 4%-47% of the predicted ligands were shown to bind with μM or better affinities. In total, 47 small molecule binders were identified. Low nanomolar (nM) binders for dihydrofolate reductase and protein tyrosine phosphatases (PTPs) and micromolar binders for the other proteins were identified. Six novel molecules had cytotoxic activity (<10 μg/ml) against the HCT-116 colon carcinoma cell line and one novel molecule had potent antibacterial activity. Conclusions We show that FINDSITEcomb is a promising new VLS approach that can assist drug discovery. PMID:24936211

Binder materials for the cathodes applied to self-stratifying membraneless microbial fuel cell.

PubMed

Walter, Xavier Alexis; Greenman, John; Ieropoulos, Ioannis

2018-04-19

The recently developed self-stratifying membraneless microbial fuel cell (SSM-MFC) has been shown as a promising concept for urine treatment. The first prototypes employed cathodes made of activated carbon (AC) and polytetrafluoroethylene (PTFE) mixture. Here, we explored the possibility to substitute PTFE with either polyvinyl-alcohol (PVA) or PlastiDip (CPD; i.e. synthetic rubber) as binder for AC-based cathode in SSM-MFC. Sintered activated carbon (SAC) was also tested due to its ease of manufacturing and the fact that no stainless steel collector is needed. Results indicate that the SSM-MFC having PTFE cathodes were the most powerful measuring 1617 μW (11 W·m -3 or 101 mW·m -2 ). SSM-MFC with PVA and CPD as binders were producing on average the same level of power (1226 ± 90 μW), which was 24% less than the SSM-MFC having PTFE-based cathodes. When balancing the power by the cost and environmental impact, results clearly show that PVA was the best alternative. Power wise, the SAC cathodes were shown being the less performing (≈1070 μW). Nonetheless, the lower power of SAC was balanced by its inexpensiveness. Overall results indicate that (i) PTFE is yet the best binder to employ, and (ii) SAC and PVA-based cathodes are promising alternatives that would benefit from further improvements. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Theoretical study of mixed LiLnX4 (Ln = La, Dy; X = F, Cl, Br, I) rare earth/alkali halide complexes.

PubMed

Groen, C P; Oskam, A; Kovács, A

2000-12-25

The structure, bonding and vibrational properties of the mixed LiLnX4 (Ln = La, Dy; X = F, Cl, Br, I) rare earth/alkali halide complexes were studied using various quantum chemical methods (HF, MP2 and the Becke3-Lee-Yang-Parr exchange-correlation density functional) in conjunction with polarized triple-zeta valence basis sets and quasi-relativistic effective core potentials for the heavy atoms. Our comparative study indicated the superiority of MP2 theory while the HF and B3-LYP methods as well as less sophisticated basis sets failed for the correct energetic relations. In particular, f polarization functions on Li and X proved to be important for the Li...X interaction in the complexes. From the three characteristic structures of such complexes, possessing 1-(C3v), 2-(C2v), or 3-fold coordination (C3v) between the alkali metal and the bridging halide atoms, the bi- and tridentate forms are located considerably lower on the potential energy surface then the monodentate isomer. Therefore only the bi- and tridentate isomers have chemical relevance. The monodentate isomer is only a high-lying local minimum in the case of X = F. For X = Cl, Br, and I this structure is found to be a second-order saddle point. The bidentate structure was found to be the global minimum for the systems with X = F, Cl, and Br. However, the relative stability with respect to the tridentate structure is very small (1-5 kJ/mol) for the heavier halide derivatives and the relative order is reversed in the case of the iodides. The energy difference between the three structures and the dissociation energy decrease in the row F to I. The ionic bonding in the complexes was characterized by natural charges and a topological analysis of the electron density distribution according to Bader's theorem. Variation of the geometrical and bonding characteristics between the lanthanum and dysprosium complexes reflects the effect of "lanthanide contraction". The calculated vibrational data indicate that infrared spectroscopy may be an effective tool for experimental investigation and characterization of LiLnX4 molecules.

Experimental Investigation of Bio-Sealants Used for Pavement Preservation and Development of a New Strength Test for Asphalt Binders at Low Temperature

NASA Astrophysics Data System (ADS)

Ghosh, Debaroti

Surface treatment using sealants as a mean of pavement preservation is an important tool for cost-effectively extending service life of pavement. Sealants have become an important tool for cost-effectively extending the service life pavements. Due to the combined negative effects of asphalt aging and thermal cracking, it is always more challenging to choose an appropriate preservation technique for pavements built in cold-regions. Asphalt aging and thermal cracking negatively affect pavements built in cold climates. Therefore, it is important to evaluate the effects of sealants in laboratory conditions before application in the field to ensure effective performance. However, preservation activities cannot effectively address major distresses, such as low-temperature cracking, that can occur when the pavement was built from the very beginning with less durable materials. Therefore, an essential requirement to mitigate low-temperature cracking of pavements for asphalt materials used in the construction of pavement built in cold- regions is ensuring proper fracture properties of the asphalt materials used in construction. This study has two parts. In the first part, a laboratory evaluation of the effects of adding bio-sealants to both asphalt binder and mixture is performed. The goal is to obtain relevant properties of treated asphalt materials to understand the mechanism by which sealants improve pavement performance. For asphalt binders, a dynamic shear rheometer and a bending beam rheometer were used to obtain rheological properties of treated and untreated asphalt binders. For asphalt mixtures, field cores from both untreated and treated sections were collected and thin beam specimens were prepared from the cores to compare the creep and strength properties of the field-treated and laboratory-treated mixture. It is observed that the oil-based sealants have a significant softening effect on the control binder compared to the water-based sealant and traditional emulsion. Oil-based sealants increased rutting and fatigue potential of the binder and helped the low-temperature cracking resistance. For asphalt mixtures, different trends are observed for the field samples compared to the laboratory prepared samples. Similar to binder results, significant differences are observed between the asphalt mixtures treated with oil-based and water-based sealants, respectively. Additional analyses were performed to better understand the sealant effects. Fourier transform infrared spectroscopy (FTIR) analysis showed that the sealant products could not be detected in mixture samples collected from the surface of the treated section. Semi-empirical Hirsch model was able to predict asphalt mixture creep stiffness from binder stiffness. The results of a distress survey of the test sections correlated well with the laboratory findings. In the second part, a news binder strength testing method is proposed with the goal to provide an effective tool for selecting asphalt binders that are crack resistant. A modified Bending Beam Rheometer (BBR) is used to perform three-point bending strength tests, at constant loading rate, on asphalt binder beams at low temperature. Based on the results, a protocol for selecting the most crack resistant material from binders with similar rheological properties is proposed.

14 CFR 198.15 - Non-premium insurance-payment of registration binders.

Code of Federal Regulations, 2013 CFR

2013-01-01

...—payment of registration binders. (a) The binder for initial registration is $575 for each aircraft or... registration binders. 198.15 Section 198.15 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT... addition of an aircraft or insurable item must be accompanied by the binder for each aircraft and insurable...

14 CFR 198.15 - Non-premium insurance-payment of registration binders.

Code of Federal Regulations, 2011 CFR

2011-01-01

...—payment of registration binders. (a) The binder for initial registration is $575 for each aircraft or... registration binders. 198.15 Section 198.15 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT... addition of an aircraft or insurable item must be accompanied by the binder for each aircraft and insurable...

14 CFR 198.15 - Non-premium insurance-payment of registration binders.

Code of Federal Regulations, 2010 CFR

2010-01-01

...—payment of registration binders. (a) The binder for initial registration is $575 for each aircraft or... registration binders. 198.15 Section 198.15 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT... addition of an aircraft or insurable item must be accompanied by the binder for each aircraft and insurable...

14 CFR 198.15 - Non-premium insurance-payment of registration binders.

Code of Federal Regulations, 2014 CFR

2014-01-01

...—payment of registration binders. (a) The binder for initial registration is $575 for each aircraft or... registration binders. 198.15 Section 198.15 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT... addition of an aircraft or insurable item must be accompanied by the binder for each aircraft and insurable...

Changes of the surface structure of corn stalk in the cooking process with active oxygen and MgO-based solid alkali as a pretreatment of its biomass conversion.

PubMed

Pang, Chunsheng; Xie, Tujun; Lin, Lu; Zhuang, Junping; Liu, Ying; Shi, Jianbin; Yang, Qiulin

2012-01-01

This study presents a novel, efficient and environmentally friendly process for the cooking of corn stalk that uses active oxygen (O2 and H2O2) and a recoverable solid alkali (MgO). The structural changes on the surface of corn stalk before and after cooking were characterized by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) techniques. The results showed that lignin and extractives were effectively removed, especially those on the surface of corn stalk. Additionally, the changes included becoming fibrillar, the exposure of cellulose and hemi-cellulose and the pitting corrosion on the surface, etc. The results also showed that the removal reaction is from outside to inside, but the main reaction is possibly on the surface. Furthermore, the results of active oxygen cooking with a solid alkali are compared with those of alkaline cooking in the paper. Copyright © 2011 Elsevier Ltd. All rights reserved.

Influence of fillers on the alkali activated chamotte

NASA Astrophysics Data System (ADS)

Dembovska, L.; Bumanis, G.; Vitola, L.; Bajare, D.

2017-10-01

Alkali-activated materials (AAM) exhibit remarkable high-temperature resistance which makes them perspective materials for high-temperature applications, for instance as fire protecting and insulating materials in industrial furnaces. Series of experiments were carried out to develop optimum mix proportions of AAM based on chamotte with quartz sand (Q), olivine sand (OL) and firebrick sawing residues (K26) as fillers. Aluminium scrap recycling waste was considered as a pore forming agent and 6M NaOH alkali activation solution has been used. Lightweight porous AAM have been obtained with density in range from 600 to 880 kg/m3 and compressive strength from 0.8 to 2.7 MPa. The XRD and high temperature optical microscopy was used to characterize the performance of AAM. The mechanical, physical and structural properties of the AAM were determined after the exposure to elevated temperatures at 800 and 1000°C. The results indicate that most promising results for AAM were with K26 filler where strength increase was observed while Q and OL filler reduced mechanical properties due to structure deterioration caused by expansive nature of selected filler.

Noonan syndrome-associated SHP2/PTPN11 mutants cause EGF-dependent prolonged GAB1 binding and sustained ERK2/MAPK1 activation.

PubMed

Fragale, Alessandra; Tartaglia, Marco; Wu, Jie; Gelb, Bruce D

2004-03-01

Noonan syndrome is a developmental disorder with dysmorphic facies, short stature, cardiac defects, and skeletal anomalies, which can be caused by missense PTPN11 mutations. PTPN11 encodes Src homology 2 domain-containing tyrosine phosphatase 2 (SHP2 or SHP-2), a protein tyrosine phosphatase that acts in signal transduction downstream to growth factor, hormone, and cytokine receptors. We compared the functional effects of three Noonan syndrome-causative PTPN11 mutations on SHP2's phosphatase activity, interaction with a binding partner, and signal transduction. All SHP2 mutants had significantly increased basal phosphatase activity compared to wild type, but that activity varied significantly between mutants and was further increased after epidermal growth factor stimulation. Cells expressing SHP2 mutants had prolonged extracellular signal-regulated kinase 2 activation, which was ligand-dependent. Binding of SHP2 mutants to Grb2-associated binder-1 was increased and sustained, and tyrosine phosphorylation of both proteins was prolonged. Coexpression of Grb2-associated binder-1-FF, which lacks SHP2 binding motifs, blocked the epidermal growth factor-mediated increase in SHP2's phosphatase activity and resulted in a dramatic reduction of extracellular signal-regulated kinase 2 activation. Taken together, these results document that Noonan syndrome-associated PTPN11 mutations increase SHP2's basal phosphatase activity, with greater activation when residues directly involved in binding at the interface between the N-terminal Src homology 2 and protein tyrosine phosphatase domains are altered. The SHP2 mutants prolonged signal flux through the RAS/mitogen-activated protein kinase (ERK2/MAPK1) pathway in a ligand-dependent manner that required docking through Grb2-associated binder-1 (GAB1), leading to increased cell proliferation. Copyright 2004 Wiley-Liss, Inc.

Temporary Cementitious Sealers in Enhanced Geothermal Systems

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

Sugama T.; Pyatina, T.; Butcher, T.

2011-12-31

Unlike conventional hydrothennal geothermal technology that utilizes hot water as the energy conversion resources tapped from natural hydrothermal reservoir located at {approx}10 km below the ground surface, Enhanced Geothermal System (EGS) must create a hydrothermal reservoir in a hot rock stratum at temperatures {ge}200 C, present in {approx}5 km deep underground by employing hydraulic fracturing. This is the process of initiating and propagating a fracture as well as opening pre-existing fractures in a rock layer. In this operation, a considerable attention is paid to the pre-existing fractures and pressure-generated ones made in the underground foundation during drilling and logging. Thesemore » fractures in terms of lost circulation zones often cause the wastage of a substantial amount of the circulated water-based drilling fluid or mud. Thus, such lost circulation zones must be plugged by sealing materials, so that the drilling operation can resume and continue. Next, one important consideration is the fact that the sealers must be disintegrated by highly pressured water to reopen the plugged fractures and to promote the propagation of reopened fractures. In response to this need, the objective of this phase I project in FYs 2009-2011 was to develop temporary cementitious fracture sealing materials possessing self-degradable properties generating when {ge} 200 C-heated scalers came in contact with water. At BNL, we formulated two types of non-Portland cementitious systems using inexpensive industrial by-products with pozzolanic properties, such as granulated blast-furnace slag from the steel industries, and fly ashes from coal-combustion power plants. These byproducts were activated by sodium silicate to initiate their pozzolanic reactions, and to create a cemetitious structure. One developed system was sodium silicate alkali-activated slag/Class C fly ash (AASC); the other was sodium silicate alkali-activated slag/Class F fly ash (AASF) as the binder of temper-try sealers. Two specific additives without sodium silicate as alkaline additive were developed in this project: One additive was the sodium carboxymethyl cellulose (CMC) as self-degradation promoting additive; the other was the hard-burned magnesium oxide (MgO) made from calcinating at 1,000-1,500 C as an expansive additive. The AASC and AASF cementitious sealers made by incorporating an appropriate amount of these additives met the following six criteria: 1) One dry mix component product; 2) plastic viscosity, 20 to 70 cp at 300 rpm; 3) maintenance of pumpability for at least 1 hour at 85 C; 4) compressive strength >2000 psi; 5) self-degradable by injection with water at a certain pressure; and 6) expandable and swelling properties; {ge}0.5% of total volume of the sealer.« less

Production of activated carbons from waste tyres for low temperature NOx control.

PubMed

Al-Rahbi, Amal S; Williams, Paul T

2016-03-01

Waste tyres were pyrolysed in a bench scale reactor and the product chars were chemically activated with alkali chemical agents, KOH, K2CO3, NaOH and Na2CO3 to produce waste tyre derived activated carbons. The activated carbon products were then examined in terms of their ability to adsorb NOx (NO) at low temperature (25°C) from a simulated industrial process flue gas. This study investigates the influence of surface area and porosity of the carbons produced with the different alkali chemical activating agents on NO capture from the simulated flue gas. The influence of varying the chemical activation conditions on the porous texture and corresponding NO removal from the flue gas was studied. The activated carbon sorbents were characterized in relation to BET surface area, micropore and mesopore volumes and chemical composition. The highest NO removal efficiency for the waste tyre derived activated carbons was ∼75% which was obtained with the adsorbent treated with KOH which correlated with both the highest BET surface area and largest micropore volume. In contrast, the waste tyre derived activated carbons prepared using K2CO3, NaOH and Na2CO3 alkali activating agents appeared to have little influence on NO removal from the flue gases. The results suggest problematic waste tyres, have the potential to be converted to activated carbons with NOx removal efficiency comparable with conventionally produced carbons. Copyright © 2016 Elsevier Ltd. All rights reserved.

Production of high specific activity silicon-32

DOEpatents

Phillips, Dennis R.; Brzezinski, Mark A.

1994-01-01

A process for preparation of silicon-32 is provide and includes contacting an irradiated potassium chloride target, including spallation products from a prior irradiation, with sufficient water, hydrochloric acid or potassium hydroxide to form a solution, filtering the solution, adjusting pH of the solution to from about 5.5 to about 7.5, admixing sufficient molybdate-reagent to the solution to adjust the pH of the solution to about 1.5 and to form a silicon-molybdate complex, contacting the solution including the silicon-molybdate complex with a dextran-based material, washing the dextran-based material to remove residual contaminants such as sodium-22, separating the silicon-molybdate complex from the dextran-based material as another solution, adding sufficient hydrochloric acid and hydrogen peroxide to the solution to prevent reformation of the silicon-molybdate complex and to yield an oxidization state of the molybdate adapted for subsequent separation by an anion exchange material, contacting the solution with an anion exchange material whereby the molybdate is retained by the anion exchange material and the silicon remains in solution, and optionally adding sufficient alkali metal hydroxide to adjust the pH of the solution to about 12 to 13. Additionally, a high specific activity silicon-32 product having a high purity is provided.

High specific activity silicon-32

DOEpatents

Phillips, Dennis R.; Brzezinski, Mark A.

1996-01-01

A process for preparation of silicon-32 is provided and includes contacting an irradiated potassium chloride target, including spallation products from a prior irradiation, with sufficient water, hydrochloric acid or potassium hydroxide to form a solution, filtering the solution, adjusting pH of the solution to from about 5.5 to about 7.5, admixing sufficient molybdate-reagent to the solution to adjust the pH of the solution to about 1.5 and to form a silicon-molybdate complex, contacting the solution including the silicon-molybdate complex with a dextran-based material, washing the dextran-based material to remove residual contaminants such as sodium-22, separating the silicon-molybdate complex from the dextran-based material as another solution, adding sufficient hydrochloric acid and hydrogen peroxide to the solution to prevent reformation of the silicon-molybdate complex and to yield an oxidization state of the molybdate adapted for subsequent separation by an anion exchange material, contacting the solution with an anion exchange material whereby the molybdate is retained by the anion exchange material and the silicon remains in solution, and optionally adding sufficient alkali metal hydroxide to adjust the pH of the solution to about 12 to 13. Additionally, a high specific activity silicon-32 product having a high purity is provided.

High specific activity silicon-32

DOEpatents

Phillips, D.R.; Brzezinski, M.A.

1996-06-11

A process for preparation of silicon-32 is provided and includes contacting an irradiated potassium chloride target, including spallation products from a prior irradiation, with sufficient water, hydrochloric acid or potassium hydroxide to form a solution, filtering the solution, adjusting pH of the solution from about 5.5 to about 7.5, admixing sufficient molybdate-reagent to the solution to adjust the pH of the solution to about 1.5 and to form a silicon-molybdate complex, contacting the solution including the silicon-molybdate complex with a dextran-based material, washing the dextran-based material to remove residual contaminants such as sodium-22, separating the silicon-molybdate complex from the dextran-based material as another solution, adding sufficient hydrochloric acid and hydrogen peroxide to the solution to prevent reformation of the silicon-molybdate complex and to yield an oxidation state of the molybdate adapted for subsequent separation by an anion exchange material, contacting the solution with an anion exchange material whereby the molybdate is retained by the anion exchange material and the silicon remains in solution, and optionally adding sufficient alkali metal hydroxide to adjust the pH of the solution to about 12 to 13. Additionally, a high specific activity silicon-32 product having a high purity is provided.

Geologic Mapping in Nogal Peak Quadrangle: Geochemistry, Intrusive Relations and Mineralization in the Sierra Blanca Igneous Complex, New Mexico

NASA Astrophysics Data System (ADS)

Goff, F.; Kelley, S. A.; Lawrence, J. R.; Cikowski, C. T.; Krier, D. J.; Goff, C. J.; McLemore, V. T.

2011-12-01

Nogal Peak quadrangle is located in the northern Sierra Blanca Igneous Complex (SBIC) and contains most of the White Mountain Wilderness (geologic map is available at http://geoinfo.nmt.edu/publications/maps/geologic/ofgm/details.cfml?Volume=134). The geology of the quad consists of a late Eocene to Oligocene volcanic pile (Sierra Blanca Volcanics, mostly alkali basalt to trachyte) intruded by a multitude of dikes, plugs and three stocks: Rialto, 31.4 Ma (mostly syenite), Three Rivers, ca. 29 to 27 Ma (quartz syenite intruded by subordinate alkali granite), and Bonito Lake, 26.6 Ma (mostly monzonite). Three Rivers stock is partially surrounded by alkali rhyolites that geochemically resemble the alkali granites. The circular shape of the stock and surrounding rhyolites suggests they form the root of a probable caldera. SBIC rocks have compositions typical of those found within the Rocky Mountain alkaline belt and those associated with continental rift zone magmatism. Because the volcanic host rocks are deeply eroded, intrusive relations with the stocks are well exposed. Most contacts at stock margins are near vertical. Roof pendants are common near some contacts and stoped blocks up to 700 m long are found within the Three Rivers stock. Contacts, pendants and stoped blocks generally display some combination of hornfelsing, brecciation, fracturing, faulting and mineralization. Sierra Blanca Volcanics display hydrothermal alteration increasing from argillic in the NW sector of the quad to high-temperature porpylitic near stock margins. Retrograde phyllic alteration occurs within breccia pipes and portions of the stocks. Mineral deposits consist of four types: Placer Au, fissure veins (mostly Ag-Pb-Zn±Au), breccia pipes (Au-Mo-Cu), and porphyry Mo-Cu. A singular pipe on the SW margin of Bonito Lake stock contains sapphire-lazulite-alunite. Although Au has been intermittently mined in the quad since 1865, best production of Au originated around the turn of the last century from the Parsons Mine, a breccia pipe in the southern Rialto stock. The Great Western Mine deposit, located within three breccia pipes on the north margin of Three Rivers stock, apparently contains 150,000 troy ounces of low-grade, disseminated Au. Three Rivers syenites and alkali granites are slightly enriched in REE compared to typical intrusive rock standards but are not high enough to be exploitable. One alkali granite sample contains 2850 ppm Zr, about 5 to 10 times the values of typical rock standards.

Ring Opening Polymerization and Copolymerization of Cyclic Esters Catalyzed by Group 2 Metal Complexes Supported by Functionalized P-N Ligands.

PubMed

Harinath, Adimulam; Bhattacharjee, Jayeeta; Sarkar, Alok; Nayek, Hari Pada; Panda, Tarun K

2018-03-05

We report the preparation of alkali and alkaline earth (Ae) metal complexes supported by 2-picolylamino-diphenylphosphane chalcogenide [(Ph 2 P(=E)NHCH 2 (C 5 H 4 N)] [E = S (1-H); Se (2-H)] ligands. The treatment of the protic ligand, 1-H or 2-H, with alkali metal hexamethyldisilazides at room temperature afforded the corresponding alkali metal salts [M(THF) 2 (Ph 2 P(=E)NCH 2 (C 5 H 4 N)] [M = Li, E = S (3a), Se (3b)] and [{M(THF) n (Ph 2 P(=E)NCH 2 (C 5 H 4 N)} 2 ] [M = Na, E = S (4a), Se (4b); M = K, E = Se (5b)] in good yield. The homoleptic Ae metal complexes [κ 2 -(Ph 2 P(=Se)NCH 2 (C 5 H 4 N)Mg(THF)] (6b) and [κ 3 -{(Ph 2 P(=Se)NCH 2 (C 5 H 4 N)} 2 M(THF) n ] (M = Ca (7b), Sr (8b), Ba (9b)] were synthesized by the one-pot reaction of 2-H with [KN(SiMe 3 ) 2 ] and MI 2 in a 2:2:1 molar ratio at room temperature. The molecular structures of the protic-ligands 1-H and 2-H, as well as complexes 3a,b-5a,b and 6b-9b were established using single-crystal X-ray analysis. The Ae metal complexes 6b-9b were tested for ring-opening polymerization (ROP) of racemic lactide ( rac-LA) and copolymerization of rac-LA and ε-caprolactone (ε-CL) at room temperature. In the ROP of rac-LA, the calcium complex 7b exhibited high isoselectivity, with P i = 0.89, whereas both the barium and strontium complexes showed lower isoselectivity with P i = 0.78-0.62. In the copolymerization of rac-LA and ε-CL, both barium and strontium complexes proved to be efficient precatalysts for the formation of the block copolymer rac-LA-CL, but the reactivity of 9b was found to be better than that of 8b. All the polymers were fully characterized using differential scanning calorimetry, thermogravimetric analysis, and gel permeation chromatography analyses. Kinetic studies on the ROP reaction of LA confirmed that the rate of polymerization followed the order Ba ≫ Sr ≈ Ca.

Observation of asphalt binder microstructure with ESEM.

PubMed

Mikhailenko, P; Kadhim, H; Baaj, H; Tighe, S

2017-09-01

The observation of asphalt binder with the environmental scanning electron microscope (ESEM) has shown the potential to observe asphalt binder microstructure and its evolution with binder aging. A procedure for the induction and identification of the microstructure in asphalt binder was established in this study and included sample preparation and observation parameters. A suitable heat-sampling asphalt binder sample preparation method was determined for the test and several stainless steel and Teflon sample moulds developed, finding that stainless steel was the preferable material. The magnification and ESEM settings conducive to observing the 3D microstructure were determined through a number of observations to be 1000×, although other magnifications could be considered. Both straight run binder (PG 58-28) and an air blown oxidised binder were analysed; their structures being compared for their relative size, abundance and other characteristics, showing a clear evolution in the fibril microstructure. The microstructure took longer to appear for the oxidised binder. It was confirmed that the fibril microstructure corresponded to actual characteristics in the asphalt binder. Additionally, a 'bee' micelle structure was found as a transitional structure in ESEM observation. The test methods in this study will be used for more comprehensive analysis of asphalt binder microstructure. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

The value of 'binder-off' imaging to identify occult and unexpected pelvic ring injuries.

PubMed

Fagg, James A C; Acharya, Mehool R; Chesser, Tim J S; Ward, Anthony J

2018-02-01

To determine the effectiveness of 'binder-off' plain pelvic radiographs in the assessment of pelvic ring injuries. All patients requiring operative intervention at our tertiary referral pelvic unit/major trauma centre for high-energy pelvic injuries between April 2012 and December 2014 were retrospectively identified. Pre-operative pelvic imaging with and without pelvic binder was reviewed with respect to fracture pattern and pelvic stability. The frequency with which the imaging without pelvic binder changed the opinion of the pelvic stability and need for operative intervention, when compared with the computed tomography (CT) scans and anteroposterior (AP) radiographs with the binder on, was assessed. Seventy-three percent (71 of 97) of patients had initial imaging with a pelvic binder in situ. Of these, 76% (54 of 71) went on to have 'binder-off' imaging. Seven percent (4 of 54) of patients had unexpected unstable pelvic ring injuries identified on 'binder-off' imaging that were not identified on CT imaging in binder. Trauma CT imaging of the pelvis with a pelvic binder in place is inadequate at excluding unstable pelvic ring injuries, and, based on the original findings in this paper, we recommend additional plain film 'binder-off' radiographs, when there is any clinical concern. Copyright © 2017 Elsevier Ltd. All rights reserved.

Geopolymers prepared from DC plasma treated air pollution control (APC) residues glass: properties and characterisation of the binder phase.

PubMed

Kourti, Ioanna; Devaraj, Amutha Rani; Bustos, Ana Guerrero; Deegan, David; Boccaccini, Aldo R; Cheeseman, Christopher R

2011-11-30

Air pollution control (APC) residues have been blended with glass-forming additives and treated using DC plasma technology to produce a high calcium aluminosilicate glass (APC glass). This has been used to form geopolymer-glass composites that exhibit high strength and density, low porosity, low water absorption, low leaching and high acid resistance. The composites have a microstructure consisting of un-reacted residual APC glass particles imbedded in a complex geopolymer and C-S-H gel binder phase, and behave as particle reinforced composites. The work demonstrates that materials prepared from DC plasma treated APC residues have potential to be used to form high quality pre-cast products. Copyright © 2011 Elsevier B.V. All rights reserved.

Enhanced electrochemical properties of LiFePO4 (LFP) cathode using the carboxymethyl cellulose lithium (CMC-Li) as novel binder in lithium-ion battery.

PubMed

Qiu, Lei; Shao, Ziqiang; Wang, Daxiong; Wang, Wenjun; Wang, Feijun; Wang, Jianquan

2014-10-13

Novel water-based binder CMC-Li is synthesized using cotton as raw material. The mechanism of the CMC-Li as a binder is reported. Electrochemical properties of batteries cathodes based on commercially available lithium iron phosphate (LiFePO4, LFP) and CMC-Li as a water-soluble binder are investigated. CMC-Li is a novel lithium-ion binder. Compare with conventional poly(vinylidene fluoride) (PVDF) binder, and the battery with CMC-Li as the binder retained 97.8% of initial reversible capacity after 200 cycles at 176 mAh g(-1), which is beyond the theoretical specific capacity of LFP. Constant current charge-discharge test results demonstrate that the LFP electrode using CMC-Li as the binder has the highest rate capability, follow closely by that using PVDF binder. The batteries have good electrochemical property, outstanding pollution-free and excellent stability. Copyright © 2014 Elsevier Ltd. All rights reserved.

Heat detection and compositions and devices therefor

NASA Technical Reports Server (NTRS)

Rembaum, A. (Inventor)

1975-01-01

Temperature change of a substrate such as a microelectronic component is sensed and detected by means of a mixture of a weak molecular complex of an electron donor compound such as an organic amine and an electron acceptor compound such as nitroaromatic compound. The mixture is encapsulated in a clear binder such as a vinyl resin.

Non-interacting surface solvation and dynamics in protein-protein interactions.

PubMed

Visscher, Koen M; Kastritis, Panagiotis L; Bonvin, Alexandre M J J

2015-03-01

Protein-protein interactions control a plethora of cellular processes, including cell proliferation, differentiation, apoptosis, and signal transduction. Understanding how and why proteins interact will inevitably lead to novel structure-based drug design methods, as well as design of de novo binders with preferred interaction properties. At a structural and molecular level, interface and rim regions are not enough to fully account for the energetics of protein-protein binding, even for simple lock-and-key rigid binders. As we have recently shown, properties of the global surface might also play a role in protein-protein interactions. Here, we report on molecular dynamics simulations performed to understand solvent effects on protein-protein surfaces. We compare properties of the interface, rim, and non-interacting surface regions for five different complexes and their free components. Interface and rim residues become, as expected, less mobile upon complexation. However, non-interacting surface appears more flexible in the complex. Fluctuations of polar residues are always lower compared with charged ones, independent of the protein state. Further, stable water molecules are often observed around polar residues, in contrast to charged ones. Our analysis reveals that (a) upon complexation, the non-interacting surface can have a direct entropic compensation for the lower interface and rim entropy and (b) the mobility of the first hydration layer, which is linked to the stability of the protein-protein complex, is influenced by the local chemical properties of the surface. These findings corroborate previous hypotheses on the role of the hydration layer in shielding protein-protein complexes from unintended protein-protein interactions. © 2014 Wiley Periodicals, Inc.

Metabolomics analysis of Lactobacillus plantarum ATCC 14917 adhesion activity under initial acid and alkali stress.

PubMed

Wang, Wenwen; He, Jiayi; Pan, Daodong; Wu, Zhen; Guo, Yuxing; Zeng, Xiaoqun; Lian, Liwei

2018-01-01

The adhesion ability of Lactobacillus plantarum affects retention time in the human gastro-intestinal tract, as well as influencing the interaction with their host. In this study, the relationship between the adhesion activity of, and metabolic changes in, L. plantarum ATCC 14917 under initial acid and alkali stress was evaluated by analyzing auto-aggregation, protein adhesion and cell adhesion in vitro. Based on scanning electron microscope (SEM) and transmission electron microscope (TEM) analysis, the morphology of the bacteria became thickset and the thickness of their cell walls decreased under initial alkali stress. The fold changes of auto-aggregation, adhere to mucin and HT-29 cell lines of L. plantarum ATCC 14917 in the acid group were increased by 1.141, 1.125 and 1.156, respectively. But decreased significantly in the alkali group (fold changes with 0.842, 0.728 and 0.667). Adhesion-related protein increased in the acid group but declined in the alkali group at the mRNA expression level according to real time polymerase chain reaction (RT-PCR) analysis. The changes in the metabolite profiles of L. plantarum ATCC 14917 were characterized using Ultra-Performance Liquid Chromatography-Electrospray ionization-Quadrupole-Time of Flight-mass spectrometry (UPLS-ESI-Q-TOF-MS). In the alkali group, the content of a lot of substances involved in the energy and amino acid metabolism decreased, but the content of some substances involved in the energy metabolism was slightly increased in the acid group. These findings demonstrate that energy metabolism is positively correlated with the adhesion ability of L. plantarum ATCC 14917. The amino-acids metabolism, especially the amino acids related to pH-homeostasis mechanisms (lysine, aspartic acid, arginine, proline and glutamic acid), showed an obvious effect on the adhesion ability of L. plantarum ATCC 14917. This investigation provides a better understanding of L. plantarum's adhesion mechanisms under initial pH stress.

Metabolomics analysis of Lactobacillus plantarum ATCC 14917 adhesion activity under initial acid and alkali stress

PubMed Central

Wang, Wenwen; He, Jiayi; Wu, Zhen; Guo, Yuxing; Zeng, Xiaoqun; Lian, Liwei

2018-01-01

The adhesion ability of Lactobacillus plantarum affects retention time in the human gastro-intestinal tract, as well as influencing the interaction with their host. In this study, the relationship between the adhesion activity of, and metabolic changes in, L. plantarum ATCC 14917 under initial acid and alkali stress was evaluated by analyzing auto-aggregation, protein adhesion and cell adhesion in vitro. Based on scanning electron microscope (SEM) and transmission electron microscope (TEM) analysis, the morphology of the bacteria became thickset and the thickness of their cell walls decreased under initial alkali stress. The fold changes of auto-aggregation, adhere to mucin and HT-29 cell lines of L. plantarum ATCC 14917 in the acid group were increased by 1.141, 1.125 and 1.156, respectively. But decreased significantly in the alkali group (fold changes with 0.842, 0.728 and 0.667). Adhesion—related protein increased in the acid group but declined in the alkali group at the mRNA expression level according to real time polymerase chain reaction (RT-PCR) analysis. The changes in the metabolite profiles of L. plantarum ATCC 14917 were characterized using Ultra-Performance Liquid Chromatography-Electrospray ionization-Quadrupole-Time of Flight-mass spectrometry (UPLS-ESI-Q-TOF-MS). In the alkali group, the content of a lot of substances involved in the energy and amino acid metabolism decreased, but the content of some substances involved in the energy metabolism was slightly increased in the acid group. These findings demonstrate that energy metabolism is positively correlated with the adhesion ability of L. plantarum ATCC 14917. The amino-acids metabolism, especially the amino acids related to pH-homeostasis mechanisms (lysine, aspartic acid, arginine, proline and glutamic acid), showed an obvious effect on the adhesion ability of L. plantarum ATCC 14917. This investigation provides a better understanding of L. plantarum’s adhesion mechanisms under initial pH stress. PMID:29795550

Selection and preparation of activated carbon for fuel gas storage

DOEpatents

Schwarz, James A.; Noh, Joong S.; Agarwal, Rajiv K.

1990-10-02

Increasing the surface acidity of active carbons can lead to an increase in capacity for hydrogen adsorption. Increasing the surface basicity can facilitate methane adsorption. The treatment of carbons is most effective when the carbon source material is selected to have a low ash content i.e., below about 3%, and where the ash consists predominantly of alkali metals alkali earth, with only minimal amounts of transition metals and silicon. The carbon is washed in water or acid and then oxidized, e.g. in a stream of oxygen and an inert gas at an elevated temperature.

Method of tagging excipients with /sup 99m/Tc

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

Bardy, A.; Beydon, J.; Gobin, R.

1977-11-08

A method of using /sup 99m/technetium for tagging excipients in medical diagnosis by scintigraphy comprises mixing, in an aqueous solution of alkali-metal pertechnetate, an excipient and a reducing agent in the form of a complex, which complex is such that the association constant of the anion with reduced techetium is less than the association constant of the excipient with reduced technetium, thereby forming a radio-pharmaceutical substance which is a complex between the excipient and /sup 99m/technetium.

Electrolytic method to make alkali alcoholates using ion conducting alkali electrolyte/separator

DOEpatents

Joshi, Ashok V [Salt Lake City, UT; Balagopal, Shekar [Sandy, UT; Pendelton, Justin [Salt Lake City, UT

2011-12-13

Alkali alcoholates, also called alkali alkoxides, are produced from alkali metal salt solutions and alcohol using a three-compartment electrolytic cell. The electrolytic cell includes an anolyte compartment configured with an anode, a buffer compartment, and a catholyte compartment configured with a cathode. An alkali ion conducting solid electrolyte configured to selectively transport alkali ions is positioned between the anolyte compartment and the buffer compartment. An alkali ion permeable separator is positioned between the buffer compartment and the catholyte compartment. The catholyte solution may include an alkali alcoholate and alcohol. The anolyte solution may include at least one alkali salt. The buffer compartment solution may include a soluble alkali salt and an alkali alcoholate in alcohol.

Alkaline anion exchange membrane water electrolysis: Effects of electrolyte feed method and electrode binder content

NASA Astrophysics Data System (ADS)

Cho, Min Kyung; Park, Hee-Young; Lee, Hye Jin; Kim, Hyoung-Juhn; Lim, Ahyoun; Henkensmeier, Dirk; Yoo, Sung Jong; Kim, Jin Young; Lee, So Young; Park, Hyun S.; Jang, Jong Hyun

2018-04-01

Herein, we investigate the effects of catholyte feed method and anode binder content on the characteristics of anion exchange membrane water electrolysis (AEMWE) to construct a high-performance electrolyzer, revealing that the initial AEMWE performance is significantly improved by pre-feeding 0.5 M aqueous KOH to the cathode. The highest long-term activity during repeated voltage cycling is observed for AEMWE operation in the dry cathode mode, for which the best long-term performance among membrane electrode assemblies (MEAs) featuring polytetrafluoroethylene (PTFE) binder-impregnated (5-20 wt%) anodes is detected for a PTFE content of 20 wt%. MEAs with low PTFE content (5 and 9 wt%) demonstrate high initial performance, rapid performance decay, and significant catalyst loss from the electrode during long-term operation, whereas the MEA with 20 wt% PTFE allows stable water electrolysis for over 1600 voltage cycles. Optimization of cell operating conditions (i.e., operation in dry cathode mode at an optimum anode binder content following an initial solution feed) achieves an enhanced water splitting current density (1.07 A cm-2 at 1.8 V) and stable long-term AEMWE performance (0.01% current density reduction per voltage cycle).

Compressive and bonding strength of fly ash based geopolymer mortar

NASA Astrophysics Data System (ADS)

Zailani, Warid Wazien Ahmad; Abdullah, Mohd Mustafa Al Bakri; Zainol, Mohd Remy Rozainy Mohd Arif; Razak, Rafiza Abd.; Tahir, Muhammad Faheem Mohd

2017-09-01

Geopolymer which is produced by synthesizing aluminosilicate source materials with an alkaline activator solution promotes sustainable and excellent properties of binder. The purpose of this paper is to determine the optimum binder to sand ratio of geopolymer mortars based on mechanical properties. In order to optimize the formulation of geopolymer mortar, various binder to sand ratios (0.25, 0.33, 0.5, 1.0, 2.0, 3.0, and 4.0) are prepared. The investigation on the effect of sand inclusion to the compressive and bonding strength of geopolymer mortar is approached. The experimental results show that the bonding strength performance of geopolymer is also depends on the various binder to sand ratio, where the optimum ratio 0.5 gives a highest strength of 12.73 MPa followed by 12.35 MPa, which corresponds the ratio 1.0 for geopolymer, while the compared value of OPC bonding strength is given by 9.3 MPa. The morphological structure at the interface zone is determined by Scanning Electron Microscope (SEM) and the homogenous bonding between geopolymer and substrate can be observed. Fly ash based geopolymers reveal a new category of mortar which has high potential to be used in the field of concrete repair and rehabilitation.

Crystal structures of native and xylosaccharide-bound alkali thermostable xylanase from an alkalophilic Bacillus sp. NG-27: Structural insights into alkalophilicity and implications for adaptation to polyextreme conditions

PubMed Central

Manikandan, Karuppasamy; Bhardwaj, Amit; Gupta, Naveen; Lokanath, Neratur K.; Ghosh, Amit; Reddy, Vanga Siva; Ramakumar, Suryanarayanarao

2006-01-01

Crystal structures are known for several glycosyl hydrolase family 10 (GH10) xylanases. However, none of them is from an alkalophilic organism that can grow in alkaline conditions. We have determined the crystal structures at 2.2 Å of a GH10 extracellular endoxylanase (BSX) from an alkalophilic Bacillus sp. NG-27, for the native and the complex enzyme with xylosaccharides. The industrially important enzyme is optimally active and stable at 343 K and at a pH of 8.4. Comparison of the structure of BSX with those of other thermostable GH10 xylanases optimally active at acidic or close to neutral pH showed that the solvent-exposed acidic amino acids, Asp and Glu, are markedly enhanced in BSX, while solvent-exposed Asn was noticeably depleted. The BSX crystal structure when compared with putative three-dimensional homology models of other extracellular alkalophilic GH10 xylanases from alkalophilic organisms suggests that a protein surface rich in acidic residues may be an important feature common to these alkali thermostable enzymes. A comparison of the surface features of BSX and of halophilic proteins allowed us to predict the activity of BSX at high salt concentrations, which we verified through experiments. This offered us important lessons in the polyextremophilicity of proteins, where understanding the structural features of a protein stable in one set of extreme conditions provided clues about the activity of the protein in other extreme conditions. The work brings to the fore the role of the nature and composition of solvent-exposed residues in the adaptation of enzymes to polyextreme conditions, as in BSX. PMID:16823036

Electrochemical components employing polysiloxane-derived binders

DOEpatents

Delnick, Frank M.

2013-06-11

A processed polysiloxane resin binder for use in electrochemical components and the method for fabricating components with the binder. The binder comprises processed polysiloxane resin that is partially oxidized and retains some of its methyl groups following partial oxidation. The binder is suitable for use in electrodes of various types, separators in electrochemical devices, primary lithium batteries, electrolytic capacitors, electrochemical capacitors, fuel cells and sensors.

Enzymatic hydrolysis of lignocellulosic biomass from Onopordum nervosum.

PubMed

Martín, C; Negro, M J; Alfonsel, M; Sáez, R

1988-07-20

Some properties of the cellulolytic complex obtained from Trichoderma reesei QM 9414 grown on Solka floc as carbon source and its ability to hydrolyze the lignocellulosic biomass of Onopordum nervosum Boiss were studied. The optimum enzyme activity was found at temperatures between 50 and 55 degrees C and pH ranging from 4.3 to 4.8. Hydrolysis of 4-nitropnenyl-beta-D-glucopyranoside (4-NPG) and cellobiose by the beta-glucosidase of the complex, showed competitive inhibition by glucose with a K(i) value of 0.8 mM for 4-NPG and 2. 56 mM for cellobiose. Enzymatic hydrolysis yield of Onopordum nervosum, evaluated as glucose production after 48 h, showed a threefold increase by pretreating the lignocellulosic substrate with alkali. When the loss of glucose incurred by de pretreatment was taken into account, a 160% increase in the final cellulose to glucose conversion was found to be due to the pretreatment.

The effect of a new formaldehyde-free binder on the dissolution rate of glass wool fibre in physiological saline solution.

PubMed

Potter, Russell M; Olang, Nassreen

2013-04-12

The in-vitro dissolution rate of fibres is a good predictor of the in-vivo behavior and potential health effects of inhaled fibres. This study examines the effect of a new formaldehyde-free carbohydrate-polycarboxylic acid binder on the in-vitro dissolution rate of biosoluble glass fibres. Dissolution rate measurements in pH 7.4 physiological saline solution show that the presence of the binder on wool insulation glass fibres has no effect on their dissolution. There is no measurable difference between the dissolution rates of continuous draw fibres before and after binder was applied by dipping. Nor is there a measurable difference between the dissolution rates of a production glass wool sample with binder and that same sample after removal of the binder by low-temperature ashing. Morphological examination shows that swelling of the binder in the solution is at least partially responsible for the development of open channels around the glass-binder interface early in the dissolution. These channels allow fluid to reach the entire glass surface under the binder coating. There is no evidence of any delay in the dissolution rate as a result of the binder coating.

The effect of a new formaldehyde-free binder on the dissolution rate of glass wool fibre in physiological saline solution

PubMed Central

2013-01-01

The in-vitro dissolution rate of fibres is a good predictor of the in-vivo behavior and potential health effects of inhaled fibres. This study examines the effect of a new formaldehyde-free carbohydrate-polycarboxylic acid binder on the in-vitro dissolution rate of biosoluble glass fibres. Dissolution rate measurements in pH 7.4 physiological saline solution show that the presence of the binder on wool insulation glass fibres has no effect on their dissolution. There is no measurable difference between the dissolution rates of continuous draw fibres before and after binder was applied by dipping. Nor is there a measurable difference between the dissolution rates of a production glass wool sample with binder and that same sample after removal of the binder by low-temperature ashing. Morphological examination shows that swelling of the binder in the solution is at least partially responsible for the development of open channels around the glass-binder interface early in the dissolution. These channels allow fluid to reach the entire glass surface under the binder coating. There is no evidence of any delay in the dissolution rate as a result of the binder coating. PMID:23587247

Electrochemical cell

DOEpatents

Redey, Laszlo I.; Myles, Kevin M.; Vissers, Donald R.; Prakash, Jai

1996-01-01

An electrochemical cell with a positive electrode having an electrochemically active layer of at least one transition metal chloride. A negative electrode of an alkali metal and a compatible electrolyte including an alkali metal salt molten at cell operating temperature is included in the cell. The electrolyte is present at least partially as a corrugated .beta." alumina tube surrounding the negative electrode interior to the positive electrode. The ratio of the volume of liquid electrolyte to the volume of the positive electrode is in the range of from about 0.1 to about 3. A plurality of stacked electrochemical cells is disclosed each having a positive electrode, a negative electrode of an alkali metal molten at cell operating temperature, and a compatible electrolyte. The electrolyte is at least partially present as a corrugated .beta." alumina sheet separating the negative electrode and interior to the positive electrodes. The alkali metal is retained in a porous electrically conductive ceramic, and seals for sealing the junctures of the electrolyte and the adjacent electrodes at the peripheries thereof.

Facile synthesis of ultrathin manganese dioxide nanosheets arrays on nickel foam as advanced binder-free supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Huang, Ming; Zhao, Xiao Li; Li, Fei; Zhang, Li Li; Zhang, Yu Xin

2015-03-01

Ultrathin MnO2 nanosheets arrays on Ni foam have been fabricated by a facile hydrothermal approach and further investigated as the binder-free electrode for high-performance supercapacitors. This unique well-designed binder-free electrode exhibits a high specific capacitance (595.2 F g-1 at a current density of 0.5 A g-1), good rate capability (64.1% retention), and excellent cycling stability (89% capacitance retention after 3000 cycles). Moreover, an asymmetric supercapacitor is constructed using the as-prepared MnO2 nanosheets arrays as the positive electrode and activated microwave exfoliated graphite oxide (MEGO) as the negative electrode. The optimized asymmetric supercapacitor displays excellent electrochemical performance with an energy density of 25.8 Wh kg-1 and a maximum power density of 223.2 kW kg-1. These impressive performances suggest that the MnO2 nanosheet array is a promising electrode material for supercapacitors.

Protein recognition using synthetic small-molecular binders toward optical protein sensing in vitro and in live cells.

PubMed

Kubota, Ryou; Hamachi, Itaru

2015-07-07

Chemical sensing of amino acids, peptides, and proteins provides fruitful information to understand their biological functions, as well as to develop the medical and technological applications. To detect amino acids, peptides, and proteins in vitro and in vivo, vast kinds of chemical sensors including small synthetic binders/sensors, genetically-encoded fluorescent proteins and protein-based semisynthetic biosensors have been intensely investigated. This review deals with concepts, strategies, and applications of protein recognition and sensing using small synthetic binders/sensors, which are now actively studied but still in the early stage of investigation. The recognition strategies for peptides and proteins can be divided into three categories: (i) recognition of protein substructures, (ii) protein surface recognition, and (iii) protein sensing through protein-ligand interaction. Here, we overview representative examples of protein recognition and sensing, and discuss biological or diagnostic applications such as potent inhibitors/modulators of protein-protein interactions.

Ultramafic inclusions and host alkali olivine basalts of the southern coastal plain of the Red Sea, Kingdom of Saudi Arabia

USGS Publications Warehouse

Ghent, Edward D.; Coleman, Robert Griffin; Hadley, Donald G.

1979-01-01

A variety of mafic and ultramafic inclusions occur within the pyroclastic components of the Al Birk basalt, erupted on the southern Red Sea coastal plain of Saudi Arabia from Pleistocene time to the present. Depleted harzburgites are the only inclusions contained within the basalts that were erupted through Miocene oceanic crust (15 km thick) in the vicinity of Jizan, whereas to the north in the vicinity of Al Birk, alkali basalts that were erupted through a thicker Precambrian crust (48 km thick) contain mixtures of harzburgites, cumulate gabbro, and websterite inclusions accompanied by large (> 2 cm) megacrysts of glassy alumina-rich clinopyroxene, plagioclase, and spinel. Microprobe analyses of individual minerals from the harzburgites, websterites, and cumulate gabbros reveal variations in composition that can be related to a complex mantle history during the evolution of the alkali basalts. Clinopyroxene and plagioclase megacrysts may represent early phases that crystallized from the alkali olivine basalt magma at depths less than 35 km. Layered websterites and gabbros with cumulate plagioclase and clinopyroxene may represent continuing crystallization of the alkali olivine basalt magma in the lower crust when basaltic magma was not rapidly ascending. It is significant that the megacrysts and cumulate inclusions apparently form only where the magmas have traversed the Precambrian crust, whereas the harzburgite-bearing basalts that penetrated a much thinner Miocene oceanic crust reveal no evidence of mantle fractionation. These alkali olivine basalts and their contained inclusions are related in time to present-day rifting in the Red Sea axial trough. The onshore, deep-seated, undersaturated magmas are separated from the shallow Red Sea rift subalkaline basalts by only 170 km. The contemporaneity of alkaline olivine and subalkaline basalts requires that they must relate directly to the separation of the Arabian plate from the African plate.

The interactions of sorbates with gallosilicates and alkali-metal exchanged gallosilicates

NASA Astrophysics Data System (ADS)

Limtrakul, J.; Kuno, M.; Treesukol, P.

1999-11-01

Structures, energetics and vibrational frequencies of the interaction of adsorbates with H-aluminosilicates (H-AlZ), H-gallosilicates (H-GaZ), alkali-metal exchanged aluminosilicates (X-AlZ) and alkali-metal exchanged gallosilicates (X-GaZ), where X being Li, Na, or K, have been carried out at B3LYP and HF levels of theory with 6-31G(d) as the basis set. The charge compensating alkali-metal ions can affect the catalytically active site (Si-O-T where T=Al or Ga) by weakening the Si-O, Al-O, and Ga-O bonds as compared to their anionic frameworks. Comparing the net stabilization energies, Δ ENSE, of the naked alkali-metal/H 2O adducts with those of the alkali-metal exchanged zeolite/H 2O systems, the latter amounts only to about 50% of the former, which is partly due to the destabilizing role of the negative zeolitic oxygen frameworks surrounding the cations. The interaction of sorbates with the alkali-metal exchanged gallosilicates can be employed to probe the field strength inside the catalytic frameworks as indicated by the plot of the binding energy, Δ E, versus 1/ RX-O w2, with R(X-O w) being the distance between the cationic nucleus and the oxygen atom of the adsorbate. The IR spectra of H 2O adsorbed on Na-AlZ are calculated to be 3584, 3651, and 1686 cm -1. The obtained results are in excellent agreement with the very recent experimental IR spectra of water adsorbed on Na-ZSM-5 of Zecchina et al. (J. Phys. Chem., 100 (1996) 16 484). Other important features, i.e. the correlation between Δ νOH and, Δ E, R(X-O w) , and 1/ RX-O w2, cationic size, demonstrate that the interactions of sorbates with alkali-metal exchanged gallosilicates are well approximated by electrostatic contribution.

Alkali metal ion battery with bimetallic electrode

DOEpatents

Boysen, Dane A; Bradwell, David J; Jiang, Kai; Kim, Hojong; Ortiz, Luis A; Sadoway, Donald R; Tomaszowska, Alina A; Wei, Weifeng; Wang, Kangli

2015-04-07

Electrochemical cells having molten electrodes having an alkali metal provide receipt and delivery of power by transporting atoms of the alkali metal between electrode environments of disparate chemical potentials through an electrochemical pathway comprising a salt of the alkali metal. The chemical potential of the alkali metal is decreased when combined with one or more non-alkali metals, thus producing a voltage between an electrode comprising the molten the alkali metal and the electrode comprising the combined alkali/non-alkali metals.

Additive manufacturing of complex-shaped graded TiC/steel composites

DOE PAGES

Levy, Asaf; Miriyev, Aslan; Elliott, Amy; ...

2017-01-12

Complex-shaped TiCx ceramic preforms with a gradient of carbon content in the titanium carbide phase (x changes from 0.7 to 0.98) were fabricated for the first time by Binder jet 3D printing technology. The complex-shaped preforms were infiltrated with molten carbon steel (0.7 wt.%C). Thermodynamic considerations showed that carbon could be transferred from titanium carbide to steel and vice versa according to the initial concentration of carbon (activity) in both phases. After infiltration, solidification and slow cooling, a microstructural gradient was obtained throughout the steel matrix from ferrite, in the region where the steel was in contact with titanium carbidemore » of low carbon content (x=0.7), to pearlite, in the region where the steel underwent interactions with stoichiometric titanium carbide (x=0.98). After annealing at 900°C and quenching in oil, a structural gradient in the steel matrix from ferrite to martensite was obtained, resulting in a hardness gradient of 700-1600 HV. The suggested processing approach allows for fabrication of complex-shaped graded composites with the desired property gradient suitable for a wide range of practical applications.« less

Additive manufacturing of complex-shaped graded TiC/steel composites

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

Levy, Asaf; Miriyev, Aslan; Elliott, Amy

Complex-shaped TiCx ceramic preforms with a gradient of carbon content in the titanium carbide phase (x changes from 0.7 to 0.98) were fabricated for the first time by Binder jet 3D printing technology. The complex-shaped preforms were infiltrated with molten carbon steel (0.7 wt.%C). Thermodynamic considerations showed that carbon could be transferred from titanium carbide to steel and vice versa according to the initial concentration of carbon (activity) in both phases. After infiltration, solidification and slow cooling, a microstructural gradient was obtained throughout the steel matrix from ferrite, in the region where the steel was in contact with titanium carbidemore » of low carbon content (x=0.7), to pearlite, in the region where the steel underwent interactions with stoichiometric titanium carbide (x=0.98). After annealing at 900°C and quenching in oil, a structural gradient in the steel matrix from ferrite to martensite was obtained, resulting in a hardness gradient of 700-1600 HV. The suggested processing approach allows for fabrication of complex-shaped graded composites with the desired property gradient suitable for a wide range of practical applications.« less

Removal of Zn or Cd and cyanide from cyanide electroplating wastes

DOEpatents

Moore, Fletcher L.

1977-05-31

A method is described for the efficient stripping of stable complexes of a selected quaternary amine and a cyanide of Zn or Cd. An alkali metal hydroxide solution such as NaOH or KOH will quantitatively strip a pregnant extract of the quaternary ammonium complex of its metal and cyanide content and regenerate a quaternary ammonium hydroxide salt which can be used for extracting further metal cyanide values.

SOLVENT EXTRACTION OF RUTHENIUM

DOEpatents

Hyman, H.H.; Leader, G.R.

1959-07-14

The separation of rathenium from aqueous solutions by solvent extraction is described. According to the invention, a nitrite selected from the group consisting of alkali nitrite and alkaline earth nitrite in an equimolecular quantity with regard to the quantity of rathenium present is added to an aqueous solution containing ruthenium tetrantrate to form a ruthenium complex. Adding an organic solvent such as ethyl ether to the resulting mixture selectively extracts the rathenium complex.

A Review on Recent Patents and Applications of Inorganic Material Binding Peptides.

PubMed

Thota, Veeranjaneyulu; Perry, Carole C

2017-01-01

Although the popularity of using combinatorial display techniques for recognising unique peptides having high affinity for inorganic (nano) particles has grown rapidly, there are no systematic reviews showcasing current developments or patents on binding peptides specific to these materials. In this review, we summarize and discuss recent progress in patents on material binding peptides specifically exploring inorganic nano surfaces such as metals, metal oxides, minerals, carbonbased materials, polymer based materials, magnetic materials and semiconductors. We consider both the peptide display strategies used and the exploitation of the identified peptides in the generation of advanced nanomaterials. In order to get a clear picture on the number of patents and literature present to date relevant to inorganic material binding biomolecules and their applications, a thorough online search was conducted using national and worldwide databases. The literature search include standard bibliographic databases while patents included EPO Espacenet, WIPO patent scope, USPTO, Google patent search, Patent lens, etc. along with commercial databases such as Derwent and Patbase. Both English and American spellings were included in the searches. The initial number of patents found related to material binders were 981. After reading and excluding irrelevant patents such as organic binding peptides, works published before 2001, repeated patents, documents not in English etc., 51 highly relevant patents published from 2001 onwards were selected and analysed. These patents were further separated into six categories based on their target inorganic material and combinatorial library used. They include relevant patents on metal, metal oxide or combination binding peptides (19), magnetic and semiconductor binding peptides (8), carbon based (3), mineral (5), polymer (8) and other binders (9). Further, how these material specific binders have been used to synthesize simple to complex bio- or nano-materials, mediate the controlled biomineralization process, direct self-assembly and nanofabrication of ordered structures, facilitate the immobilization of functional biomolecules and construct inorganic-inorganic or organic-inorganic nano hybrids are concisely described. From analysis of recent literature and patents, we clearly show that biomimetic material binders are in the vanguard of new design approaches for novel nanomaterials with improved/ controlled physical and chemical properties that have no adverse effect on the structural or functional activities of the nanomaterials themselves. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Minerals produced during cooling and hydrothermal alteration of ash flow tuff from Yellowstone drill hole Y-5

USGS Publications Warehouse

Keith, T.E.C.; Muffler, L.J.P.

1978-01-01

A rhyolitic ash-flow tuff in a hydrothermally active area within the Yellowstone caldera was drilled in 1967, and cores were studied to determine the nature and distribution of primary and secondary mineral phases. The rocks have undergone a complex history of crystallization and hydrothermal alteration since their emplacement 600,000 years ago. During cooling from magmatic temperatures, the glassy groundmass underwent either devitrification to alkali feldspar + ??-cristobalite ?? tridymite or granophyric crystallization to alkali feldspar + quartz. Associated with the zones of granophyric crystallization are prismatic quartz crystals in cavities similar to those termed miarolitic in plutonic rocks. Vapor-phase alkali feldspar, tridymite, magnetite, and sporadic ??-cristobalite were deposited in cavities and in void spaces of pumice fragments. Subsequently, some of the vapor-phase alkali feldspar crystals were replaced by microcrystalline quartz, and the vapor-phase minerals were frosted by a coating of saccharoidal quartz. Hydrothermal minerals occur primarily as linings and fillings of cavities and fractures and as altered mafic phenocrysts. Chalcedony is the dominant mineral related to the present hydrothermal regime and occurs as microcrystalline material mixed with various amounts of hematite and goethite. The chalcedony displays intricate layering and was apparently deposited as opal from silica-rich water. Hematite and goethite also replace both mafic phenocrysts and vapor-phase magnetite. Other conspicuous hydrothermal minerals include montmorillonite, pyrite, mordenite, calcite, and fluorite. Clinoptilolite, erionite, illite, kaolinite, and manganese oxides are sporadic. The hydrothermal minerals show little correlation with temperature, but bladed calcite is restricted to a zone of boiling in the tuff and clearly was deposited when CO2 was lost during boiling. Fractures and breccias filled with chalcedony are common throughout Y-5 and may have been produced by rapid disruption of rock caused by sudden decrease of fluid pressure in fractures, most likely a result of fracturing during resurgent doming in this part of the Yellowstone caldera. The chalcedony probably was deposited as opal or ??-cristobalite from a pre-existing silica floc that moved rapidly into the fractures and breccias immediately after the sudden pressure drop. ?? 1978.

A detailed study of ice nucleation by feldspar minerals

NASA Astrophysics Data System (ADS)

Whale, T. F.; Murray, B. J.; Wilson, T. W.; Carpenter, M. A.; Harrison, A.; Holden, M. A.; Vergara Temprado, J.; Morris, J.; O'Sullivan, D.

2015-12-01

Immersion mode heterogeneous ice nucleation plays a crucial role in controlling the composition of mixed phase clouds, which contain both supercooled liquid water and ice particles. The amount of ice in mixed phase clouds can affect cloud particle size, lifetime and extent and so affects radiative properties and precipitation. Feldspar minerals are probably the most important minerals for ice nucleation in mixed phase clouds because they nucleate ice more efficiently than other components of atmospheric mineral dust (Atkinson et al. 2013). The feldspar class of minerals is complex, containing numerous chemical compositions, several crystal polymorphs and wide variations in microscopic structure. Here we present the results of a study into ice nucleation by a wide range of different feldspars. We found that, in general, alkali feldspars nucleate ice more efficiently than plagioclase feldspars. However, we also found that particular alkali feldspars nucleate ice relatively inefficiently, suggesting that chemical composition is not the only important factor that dictates the ice nucleation efficiency of feldspar minerals. Ice nucleation by feldspar is described well by the singular model and is probably site specific in nature. The alkali feldspars that do not nucleate ice efficiently possess relatively homogenous structure on the micrometre scale suggesting that the important sites for nucleation are related to surface topography. Ice nucleation active site densities for the majority of tested alkali feldspars are similar to those found by Atkinson et al (2013), meaning that the validity of global aerosol modelling conducted in that study is not affected. Additionally, we have found that ice nucleation by feldspars is strongly influenced, both positively and negatively, by the solute content of droplets. Most other nucleants we have tested are unaffected by solutes. This provides insight into the mechanism of ice nucleation by feldspars and could be of importance when modelling ice nucleation in mixed phase clouds. Atkinson, J. D., Murray, B. J., Woodhouse, M. T., Carslaw, K. S., Whale, T. F., Baustian, K. J., Dobbie, S., O'Sullivan, D., and Malkin, T. L.: The importance of feldspar for ice nucleation by mineral dust in mixed-phase clouds, Nature, 10.1038/nature12278, (2013).

Room temperature deintercalation of alkali metal atoms from epitaxial graphene by formation of charge-transfer complexes

NASA Astrophysics Data System (ADS)

Shin, H.-C.; Ahn, S. J.; Kim, H. W.; Moon, Y.; Rai, K. B.; Woo, S. H.; Ahn, J. R.

2016-08-01

Atom (or molecule) intercalations and deintercalations have been used to control the electronic properties of graphene. In general, finite energies above room temperature (RT) thermal energy are required for the intercalations and deintercalations. Here, we demonstrate that alkali metal atoms can be deintercalated from epitaxial graphene on a SiC substrate at RT, resulting in the reduction in density of states at the Fermi level. The change in density of states at the Fermi level at RT can be applied to a highly sensitive graphene sensor operating at RT. Na atoms, which were intercalated at a temperature of 80 °C, were deintercalated at a high temperature above 1000 °C when only a thermal treatment was used. In contrast to the thermal treatment, the intercalated Na atoms were deintercalated at RT when tetrafluorotetracyanoquinodimethane (F4-TCNQ) molecules were adsorbed on the surface. The RT deintercalation occurred via the formation of charge-transfer complexes between Na atoms and F4-TCNQ molecules.

Improvement of desolvation and resilience of alginate binders for Si-based anodes in a lithium ion battery by calcium-mediated cross-linking.

PubMed

Yoon, Jihee; Oh, Dongyeop X; Jo, Changshin; Lee, Jinwoo; Hwang, Dong Soo

2014-12-14

Si-based anodes in lithium ion batteries (LIBs) have exceptionally high theoretical capacity, but the use of a Si-based anode in LIBs is problematic because the charging-discharging process can fracture the Si particles. Alginate and its derivatives show promise as Si particle binders in the anode. We show that calcium-mediated "egg-box" electrostatic cross-linking of alginate improves toughness, resilience, electrolyte desolvation of the alginate binder as a Si-binder for LIBs. Consequently, the improved mechanical properties of the calcium alginate binder compared to the sodium alginate binder and other commercial binders extend the lifetime and increase the capacity of Si-based anodes in LIBs.

Cement Type Influence on Alkali-Silica Reaction in Concrete with Crushed Gravel Aggregate

NASA Astrophysics Data System (ADS)

Rutkauskas, A.; Nagrockienė, D.; Skripkiūnas, G.

2017-10-01

Alkali-silica reaction is one of the chemical reactions which have a significant influence for durability of concrete. During alkali and silica reaction, silicon located in aggregates of the concrete, reacts with high alkali content. This way in the micropores of concrete is forming hygroscopic gel, which at wet environment, expanding and slowly but strongly destroying concrete structures. The goal of this paper- to determine the influence of cement type on alkali-silica reaction of mortars with crushed gravel. In the study crushed gravel with fraction 4/16 mm was used and four types of cements tested: CEM I 42.5 R; CEM I 42.5 SR; CEM II/A-S 42.5; CEM II/A-V 52.5. This study showed that crushed gravel is low contaminated on reactive particles containing of amorphous silica dioxide. The expansion after 14 days exceed 0.054 %, by RILEM AAR-2 research methodology (testing specimen dimension 40×40×160 mm). Continuing the investigation to 56 days for all specimens occurred alkaline corrosion features: microcracking and the surface plaque of gel. The results showed that the best resistance to alkaline corrosion after 14 days was obtained with cement CEM I 42.5 SR containing ash additive, and after 56 days with cement CEM II/A-V 52.5 containing low alkali content. The highest expansion after 14 and 56 days was obtained with cement CEM I 42.5 R without active mineral additives.

Involvement of the exomer complex in the polarized transport of Ena1 required for Saccharomyces cerevisiae survival against toxic cations.

PubMed

Anton, Carlos; Zanolari, Bettina; Arcones, Irene; Wang, Congwei; Mulet, Jose Miguel; Spang, Anne; Roncero, Cesar

2017-12-01

Exomer is an adaptor complex required for the direct transport of a selected number of cargoes from the trans -Golgi network (TGN) to the plasma membrane in Saccharomyces cerevisiae However, exomer mutants are highly sensitive to increased concentrations of alkali metal cations, a situation that remains unexplained by the lack of transport of any known cargoes. Here we identify several HAL genes that act as multicopy suppressors of this sensitivity and are connected to the reduced function of the sodium ATPase Ena1. Furthermore, we find that Ena1 is dependent on exomer function. Even though Ena1 can reach the plasma membrane independently of exomer, polarized delivery of Ena1 to the bud requires functional exomer. Moreover, exomer is required for full induction of Ena1 expression after cationic stress by facilitating the plasma membrane recruitment of the molecular machinery involved in Rim101 processing and activation of the RIM101 pathway in response to stress. Both the defective localization and the reduced levels of Ena1 contribute to the sensitivity of exomer mutants to alkali metal cations. Our work thus expands the spectrum of exomer-dependent proteins and provides a link to a more general role of exomer in TGN organization. © 2017 Anton et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Spectroscopic studies of transition metal ions in molten alkali metal carboxylates

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

Maroni, V.A.; Maciejewski, M.L.

Electronic absorption and C-13 NMR spectroscopic studies were carried out to investigate the structure of (i) alkali metal formate (Fm) and acetate (Ac) eutectic melts and (ii) solutions of 3d transition metal (TM) cations in these eutectics. Measurements were made over the temperature range 90..-->..190/sup 0/C. The most stable oxidation states of the individual TMs in the Fm and Ac eutectics were: Ti/sup 3 +/, V/sup 3 +/, VO/sup 2 +/, Cr/sup 3 +/, Mn/sup 2 +/, Fe/sup 2 +/, Co/sup 2 +/, Ni/sup 2 +/, and Cu/sup 2 +/. The ligand field absorption spectra obtained in these carboxylate meltsmore » bore a consistent resemblance to the spectra of these same cations in aqueous media, but the absorptivities were generally higher than are observed for the hexaquo complexes. The results were interpreted in terms of the existence of bidentate coordination in some (if not all) cases, leading to noncentrosymmetric complexation geometries. Key results of the NMR measurements included the apparent observation of two different carboxylate anion environments in Ni/sup 2 +/ solutions. C-13 spin-lattice relaxation of the carboxylate anions in the TM-free eutectics was found to be controlled by dipolar coupling to another nucleus. In the TM-containing solutions, the spin-lattice relaxation times were reduced by a factor of 10 to 1000, evidencing the expected shift to electron-nuclear dipolar coupling. Activation energies for viscous flow derived from the spin-lattice relaxation measurements on TM-free melts were in the 10..-->..11 kcal/mol range, reflecting the highly ordered, glassy nature of the eutectics studied.« less

Hydrothermal alkali metal catalyst recovery process

DOEpatents

Eakman, James M.; Clavenna, LeRoy R.

1979-01-01

In a coal gasification operation or similar conversion process carried out in the presence of an alkali metal-containing catalyst wherein solid particles containing alkali metal residues are produced, alkali metal constituents are recovered from the particles primarily in the form of water soluble alkali metal formates by treating the particles with a calcium or magnesium-containing compound in the presence of water at a temperature between about 250.degree. F. and about 700.degree. F. and in the presence of added carbon monoxide. During the treating process the water insoluble alkali metal compounds comprising the insoluble alkali metal residues are converted into water soluble alkali metal formates. The resultant aqueous solution containing water soluble alkali metal formates is then separated from the treated particles and any insoluble materials formed during the treatment process, and recycled to the gasification process where the alkali metal formates serve as at least a portion of the alkali metal constituents which comprise the alkali metal-containing catalyst. This process permits increased recovery of alkali metal constituents, thereby decreasing the overall cost of the gasification process by reducing the amount of makeup alkali metal compounds necessary.

Effect of recovered binders from recycled shingles and increased RAP percentages on resultant binder PG.

DOT National Transportation Integrated Search

2011-12-01

This research evaluated the properties of recycled asphalt binders from Wisconsin sources. Continuous grading : properties were measured for 18 recycled binder sources: 12 reclaimed asphalt pavement (RAP) sources and 6 recycled : asphalt shingle sour...

Proton conducting membrane using a solid acid

NASA Technical Reports Server (NTRS)

Boysen, Dane A. (Inventor); Narayanan, Sekharipuram R. (Inventor); Haile, Sossina M. (Inventor); Chisholm, Calum (Inventor)

2006-01-01

A solid acid material is used as a proton conducting membrane in an electrochemical device. The solid acid material can be one of a plurality of different kinds of materials. A binder can be added, and that binder can be either a nonconducting or a conducting binder. Nonconducting binders can be, for example, a polymer or a glass. A conducting binder enables the device to be both proton conducting and electron conducting.

Distribution of a viscous binder during high shear granulation--sensitivity to the method of delivery and its impact on product properties.

PubMed

Tan, Bernice Mei Jin; Loh, Zhi Hui; Soh, Josephine Lay Peng; Liew, Celine Valeria; Heng, Paul Wan Sia

2014-01-02

Binder distribution in the powder mass during high shear granulation is especially critical with the use of viscous liquid binders and with short processing times. A viscous liquid binder was delivered into the powder mass at two flow rates using three methods: pouring, pumping and spraying from a pressure pot. Binder content analyses at the scale of individual granules were conducted to investigate the impact of different delivery conditions on the homogeneity of binder distribution. There was clear evidence of non-uniformity of binder content among individual granules across all delivery conditions, particularly for the fast rates of delivery. Poorer reproducibility values of tablet thickness and disintegration time were observed when binder was poured but this may be overcome by pumping or spraying from the pressure pot. Greater homogeneity of binder distribution occurred with the slow rates of delivery and led to the earlier onset of granule growth and a consequent increase in granule size. Larger granule size and lower proportion of fines were in turn associated with increased granule bulk density and improvement of granule flow. In conclusion, delivery of a viscous binder at a slow rate either by pumping or via a pressure pot was most desirable during granulation. Copyright © 2013 Elsevier B.V. All rights reserved.

Recycling of Clay Sediments for Geopolymer Binder Production. A New Perspective for Reservoir Management in the Framework of Italian Legislation: The Occhito Reservoir Case Study

PubMed Central

Molino, Bruno; De Vincenzo, Annamaria; Ferone, Claudio; Messina, Francesco; Colangelo, Francesco; Cioffi, Raffaele

2014-01-01

Reservoir silting is an unavoidable issue. It is estimated that in Italy, the potential rate of silting-up in large reservoirs ranges from 0.1% to 1% in the presence of wooded river basins and intensive agricultural land use, respectively. In medium and small-sized reservoirs, these values vary between 0.3% and 2%. Considering both the types of reservoirs, the annual average loss of storage capacity would be of about 1.59%. In this paper, a management strategy aimed at sediment productive reuse is presented. Particularly, the main engineering outcomes of an extensive experimental program on geopolymer binder synthesis is reported. The case study deals with Occhito reservoir, located in Southern Italy. Clay sediments coming from this silted-up artificial lake were characterized, calcined and activated, by means of a wide set of alkaline activating solutions. The results showed the feasibility of this recovery process, optimizing a few chemical parameters. The possible reuse in building material production (binders, precast concrete, bricks, etc.) represents a relevant sustainable alternative to landfill and other more consolidated practices. PMID:28788149

Recycling of Clay Sediments for Geopolymer Binder Production. A New Perspective for Reservoir Management in the Framework of Italian Legislation: The Occhito Reservoir Case Study.

PubMed

Molino, Bruno; De Vincenzo, Annamaria; Ferone, Claudio; Messina, Francesco; Colangelo, Francesco; Cioffi, Raffaele

2014-07-31

Reservoir silting is an unavoidable issue. It is estimated that in Italy, the potential rate of silting-up in large reservoirs ranges from 0.1% to 1% in the presence of wooded river basins and intensive agricultural land use, respectively. In medium and small-sized reservoirs, these values vary between 0.3% and 2%. Considering both the types of reservoirs, the annual average loss of storage capacity would be of about 1.59%. In this paper, a management strategy aimed at sediment productive reuse is presented. Particularly, the main engineering outcomes of an extensive experimental program on geopolymer binder synthesis is reported. The case study deals with Occhito reservoir, located in Southern Italy. Clay sediments coming from this silted-up artificial lake were characterized, calcined and activated, by means of a wide set of alkaline activating solutions. The results showed the feasibility of this recovery process, optimizing a few chemical parameters. The possible reuse in building material production (binders, precast concrete, bricks, etc. ) represents a relevant sustainable alternative to landfill and other more consolidated practices.

Analysis of the 3H8 antigen of Candida albicans reveals new aspects of the organization of fungal cell wall proteins.

PubMed

Sentandreu, Rafael; Caminero, Antonio; Rentería, Itzel; León-Ramirez, Claudia; González-de-la-Vara, Luis; Valentin-Gomez, Eulogio; Ruiz-Herrera, José

2018-06-01

The walls of both, yeast and mycelial cells of Candida albicans possess a species-specific antigen that is recognized by a monoclonal antibody (MAb 3H8). This antigen can be extracted in the form of a very high Mr complex, close or over 106 Da, by treatment, with β-1,3-glucanase, β mercaptoethanol or dithothreitol, or mild alkali, but not by saturated hydrogen fluoride (HF) in pyridine, suggesting that the complex is bound to wall β-1,3 glucans, and to proteins by disulfide bonds, but not to β-1,6 glucans. Through its sensitivity to trypsin and different deglycosylation procedures, it was concluded that the epitope is associated to a glycoprotein containing N-glycosidic, but not O-glycosidic mannan moieties. By means of electrophoresis in polycrylamide gradient gels, followed by mass spectrometric analysis, the epitope was pinpointed to a very high MW complex containing Agglutinin-Like Sequence (ALS) family proteins, and other cytoplasmic, membrane and secreted proteins. The components of this complex are bound by unknown covalent bonds. The material extracted with β mercaptoethanol or dilute alkali appeared under the electron microscope as large aggregates in the form of spheroidal and mostly web-like structures of large sizes. These, and additional data, suggest that this protein complex may constitute an important part of the basic glycoprotein structure of C. albicans. The possibility that similar complexes exist in the wall of other fungi is an attractive, although yet untested possibility.

A multinuclear static NMR study of geopolymerisation

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

Favier, Aurélie, E-mail: aurelie.favier@epfl.ch; Habert, Guillaume; Roussel, Nicolas

2015-09-15

Geopolymers are inorganic binders obtained by alkali activation of aluminosilicates. While the structure of geopolymers is now well understood, the details of the geopolymerisation reaction and their impact on the rheology of the paste remain uncertain. In this work, we follow the elastic properties of a paste made with metakaolin and sodium silicate solution. After the first sharp increase of elastic modulus occurring a few hundred of seconds after mixing and related to the heterogeneous formation of an alumina–silicate gel with a molar ratio Si/Al < 4 located at the grains boundaries, we focus on the progressive increase in elasticmore » modulus on a period of few hours during the setting of the geopolymer. In this study, we combine the study of rheological properties of the paste with {sup 23}Na, {sup 27}Al and {sup 29}Si static NMR measurement in order to better understand the origin of this second increase in elastic modulus. Our results show that, after a few hours, Al and Na evolution in the liquid phase are concomitant. This suggests the precipitation of an aluminosilicate phase where Al is in tetrahedral position and Na compensates the charge. Furthermore, Si speciation confirms this result and allows us to identify the precipitation of a product, which has a chemical composition close to the final composition of geopolymer. This study provides strong evidence for a heterogeneous formation of an aluminosilicate glass directly from the first gel and the silicate solution without the need for a reorganisation of Gel 1 into Gel 2.« less

Current and potential treatment options for hyperphosphatemia.

PubMed

Carfagna, Fabio; Del Vecchio, Lucia; Pontoriero, Giuseppe; Locatelli, Francesco

2018-06-01

Hyperphosphatemia is common in late stages of chronic kidney disease and is often associated with elevated parathormone levels, abnormal bone mineralization, extra-osseous calcification, and increased risk of cardiovascular events and death. Several classes of oral phosphate binders are available to help control plasma phosphorus levels. Although effective at lowering serum phosphorus, they all have safety, tolerability, and compliance issues that need to be considered when selecting which one to use. Areas covered: This paper reviews the most established treatment options for hyperphosphatemia, in patients with chronic kidney disease, focusing on the new inhibitors of active phosphate absorption. Expert opinion: The prevention and the treatment of hyperphosphatemia is today far to be satisfactory. Nonetheless, an extending range of phosphate binders are now available. Aluminum has potentially serious toxic risks. Calcium-based binders are very effective but can lead to hypercalcemia and/or positive calcium balance and progression of cardiovascular calcification. No long-term data are available for the new calcium acetate/magnesium combination product. Lanthanum is an effective phosphate binder, and long-term effects of tissue deposition seem clinically irrelevant. Sevelamer, appear to have profiles that would lead to pleiotropic effects and reduced progression of vascular calcification, and the main adverse events seen with these agents are gastrointestinal. Iron has a powerful capability of binding phosphate, thus numerous preparations are available, both with and without significant systemic absorption of the iron component. The inhibitors of active intestinal phosphate transport, with their very selective mechanism of action and low pill burden seem the most interesting approach; however, do not seem at present to be effective alone, in reducing serum phosphorus levels.

Phenomena during thermal removal of binders

NASA Astrophysics Data System (ADS)

Hrdina, Kenneth Edward

The research presented herein has focused on debinding of an ethylene copolymer from a SiC based molded ceramic green body. Examination of the binder burnout process was carried out by breaking down the process into two distinct regions: those events which occur before any weight loss begins, and those events occurring during binder removal. Below the temperature of observed binder loss (175sp°C), both reversible and irreversible displacement was observed to occur. The displacement was accounted for by relaxation of molding stresses, thermal expansion of the system, and melting of the semicrystalline copolymer occurring during heating. Upon further heating the binder undergoes a two stage thermal degradation process. In the first stage, acetic acid is the only degradation product formed, as determined by GC/MS analysis. In this stage, component shrinkage persisted and it was found that one unit volume of shrinkage corresponded with one unit volume of binder removed, indicating that no porosity developed. The escaping acetic acid effluents must diffuse through liquid polymer filled porous regions to escape. The gas pressure of the acetic acid species produced in the first stage of the thermal degradation may exceed the ambient pressure promoting bubble formation. Controlling the heating rate of the specimen maintains the gas pressure below the bubbling threshold and minimizes the degradation time. Experiments have determined the kinetics of the reaction in the presence of the high surface area (10-15msp2/g) ceramic powder and then verified that acetic acid was diffusing through the polymer phase to the specimen surface where evaporation is taking place. The sorption method measured the diffusivity and activity of acetic acid within the filled ceramic system within a TGA. These data were incorporated into a Fickian type model which included the rate of generation of the diffusing species. The modeling process involved prediction of the bloating temperature as a function of the sample size for a given heating rate. The predicted results and experimental results show good correlation. The model was used to optimize the heating schedule which minimized the binder removal time.

Investigation of carbonate rocks appropriate for the production of natural hydraulic lime binders

NASA Astrophysics Data System (ADS)

Triantafyllou, George; Panagopoulos, George; Manoutsoglou, Emmanouil; Christidis, George; Přikryl, Richard

2014-05-01

Cement industry is facing growing challenges in conserving materials and conforming to the demanding environmental standards. Therefore, there is great interest in the development, investigation and use of binders alternatives to Portland cement. Natural hydraulic lime (NHL) binders have become nowadays materials with high added value, due to their advantages in various construction applications. Some of them include compatibility, suitability, workability and the versatility in applications. NHL binders are made from limestones which contain sufficient argillaceous or siliceous components fired at relatively low temperatures, with reduction to powder by slaking with or without grinding. This study is focused in developing technology for small-scale production of cementitious binders, combining the knowledge and experience of geologists and mineral resources engineers. The first step of investigation includes field techniques to the study the lithology, texture and sedimentary structure of Neogene carbonate sediments, from various basins of Crete Island, Greece and the construction of 3D geological models, in order to determine the deposits of each different geological formation. Sampling of appropriate quantity of raw materials is crucial for the investigation. Petrographic studies on the basis of the study of grain type, grain size, types of porosity and depositional texture, are necessary to classify effectively industrial mineral raw materials for this kind of application. Laboratory tests should also include the study of mineralogical and chemical composition of the bulk raw materials, as well as the content of insoluble limestone impurities, thus determining the amount of active clay and silica components required to produce binders of different degree of hydraulicity. Firing of the samples in various temperatures and time conditions, followed by X-ray diffraction analysis and slaking rate tests of the produced binders, is essential to insure the beneficiation of their behavior. Beneficiation is defined as the implementation of the best available techniques to insure the production of an economically usable final product which combines both the hydraulicity of the silicates, aluminates and ferrites, as well as the reactivity of the calcium oxide amounts that are present.

Monitoring of photoluminescence decay by alkali and alkaline earth metal cations using a photoluminescent bolaamphiphile self-assembly as an optical probe.

PubMed

Kim, Sunhyung; Kwak, Jinyoung; Lee, Sang-Yup

2014-05-01

Photoluminescence (PL) decay induced by the displacement of an ionic fluorescence component, Tb(3+), with alkali and alkaline earth metal cations was investigated using photoluminescent spherical self-assemblies as optical probes. The photoluminescent spherical self-assembly was prepared by the self-organization of a tyrosine-containing bolaamphiphile molecule with a photosensitizer and Tb(3+) ion. The lanthanide ion, Tb(3+), electrically bound to the carboxyl group of the bolaamphiphile molecule, was displaced by alkali and alkaline earth metal cations that had stronger electrophilicity. The PL of the self-assembly decayed remarkably due to the substitution of lanthanide ions with alkali and alkaline earth metal cations. The PL decay showed a positive correlation with cation concentration and was sensitive to the cation valency. Generally, the PL decay was enhanced by the electrophilicity of the cations. However, Ca(2+) showed greater PL decay than Mg(2+) because Ca(2+) could create various complexes with the carboxyl groups of the bolaamphiphile molecule. Microscopic and spectroscopic investigations were conducted to study the photon energy transfer and displacement of Tb(3+) by the cation exchange. This study demonstrated that the PL decay by the displacement of the ionic fluorescent compound was applied to the detection of various cations in aqueous media and is applicable to the development of future optical sensors. Copyright © 2014 Elsevier B.V. All rights reserved.

Fatigue and fracture properties of aged binders in the context of reclaimed asphalt mixes.

DOT National Transportation Integrated Search

2014-08-01

Evidence in the literature indicates that the stiffness of the asphalt binder increases and ductility of the binder decreases : with oxidative aging. Typically for unmodified asphalt binders, increase in stiffness or decrease in ductility is regarded...

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

Gordon, John Howard; Alvare, Javier

Alkali metals and sulfur may be recovered from alkali monosulfide and polysulfides in an electrolytic process that utilizes an electrolytic cell having an alkali ion conductive membrane. An anolyte solution includes an alkali monosulfide, an alkali polysulfide, or a mixture thereof and a solvent that dissolves elemental sulfur. A catholyte includes molten alkali metal. Applying an electric current oxidizes sulfide and polysulfide in the anolyte compartment, causes alkali metal ions to pass through the alkali ion conductive membrane to the catholyte compartment, and reduces the alkali metal ions in the catholyte compartment. Liquid sulfur separates from the anolyte solution andmore » may be recovered. The electrolytic cell is operated at a temperature where the formed alkali metal and sulfur are molten.« less

An ophthalmic solution of a peroxisome proliferator-activated receptor gamma agonist prevents corneal inflammation in a rat alkali burn model

PubMed Central

Uchiyama, Masaaki; Masuda, Yukinari; Nagasaka, Shinya; Fukuda, Yuh; Takahashi, Hiroshi

2013-01-01

Purpose We clarified the effects of an ophthalmic solution of a peroxisome proliferator-activated receptor gamma (PPARγ) agonist on corneal inflammation and wound healing after alkali burn injury in rats. Methods After alkali exposure, either an ophthalmic solution with 0.1% pioglitazone hydrochloride (the PPARγ group) or vehicle (the vehicle group) was topically applied to the cornea until day 14. Histological, immunohistochemical, and real-time reverse transcription polymerase chain reaction analysis were performed. Results After alkali injury, PPARγ expression increased, with the infiltration of many inflammatory cells. The infiltration of neutrophils and macrophages started from the corneal limbus within 6 h, and developed in the corneal center by day 7, with associated neovascularization. The accumulation of α-smooth muscle actin-positive myofibroblasts and the deposition of type III collagen were noted on day 14. The histological changes were suppressed significantly by treatment with the ophthalmic solution of the PPARγ agonist. In addition, the number of infiltrating M2 macrophages in the cornea was increased by PPARγ agonist treatment. In real-time reverse transcription polymerase chain reaction analysis, the messenger ribonucleic acid expression levels of interleukin-1β (IL-1β), IL-6, IL-8, monocyte chemoattractant protein-1, tumor necrosis factor-α, transforming growth factor beta 1, and vascular endothelial growth factor-A were decreased in the PPARγ group compared to the vehicle group in the early periods of corneal inflammation. Conclusions The ophthalmic solution of the PPARγ agonist inhibited inflammation, decreased the fibrotic reaction, and prevented neovascularization in the cornea from the early phase after alkali burn injury. The ophthalmic solution of the PPARγ agonist may provide a new treatment strategy with useful clinical applications for corneal inflammation and wound healing. PMID:24194635

Electrospray ionization of uranyl-citrate complexes

NASA Astrophysics Data System (ADS)

Somogyi, Árpád; Pasilis, Sofie P.; Pemberton, Jeanne E.

2007-09-01

Results presented here demonstrate the usefulness of electrospray ionization and gas-phase ion-molecule reactions to predict structural and electronic differences in complex inorganic ions. Electrospray ionization of uranyl citrate solutions generates positively and negatively charged ions that participate in further ion-molecule reactions in 3D ion trap and FT-ICR mass analyzers. Most ions observed are derived from the major solution uranyl-citrate complexes and involve species of {(UO2)2Cit2}2-, (UO2)3Cit2, and {(UO2)3Cit3}3-, where Cit indicates the citrate trianion, C6H5O73-. In a 3D ion trap operated at relatively high pressure, complex adducts containing solvent molecules, alkali and ammonium cations, and nitrate or chloride anions are dominant, and proton/alkali cation (Na+, K+) exchange is observed for up to six exchangeable protons in an excess of alkali cations. Adduct formation in a FT-ICR cell that is operated at lower pressures is less dominant, and direct detection of positive and negative ions of the major solution complexes is possible. Multiply charged ions are also detected, suggesting the presence of uranium in different oxidation states. Changes in uranium oxidation state are detected by He-CID and SORI-CID fragmentation, and certain fragments undergo association reactions in trapping analyzers, forming "exotic" species such as [(UO2)4O3]-, [(UO2)4O4]-, and [(UO2)4O5]-. Ion-molecule reactions with D2O in the FT-ICR cell indicate substantial differences in H/D exchange rate and D2O accommodation for different ion structures and charge states. Most notably, the positively charged ions [H2(UO2)2Cit2(H)]+ and [(UO2)2(Cit)]+ accommodate two and three D2O molecules, respectively, which reflects well the structural differences, i.e., tighter uranyl-citrate coordination in the former ion than in the latter. The corresponding negatively charged ions accommodate zero or two D2O molecules, which can be rationalized using suggested solution phase structures and charge state distributions.

In vitro bioactivity investigation of alkali treated Ti6Al7Nb alloy foams

NASA Astrophysics Data System (ADS)

Butev, Ezgi; Esen, Ziya; Bor, Sakir

2015-02-01

Biocompatible Ti6Al7Nb alloy foams with 70% porosity manufactured by space holder method were activated via alkali treatment using 5 M NaOH solution at 60 °C. The interconnected pore structures enabled formation of homogenous sodium rich coating on the foam surfaces by allowing penetration of alkali solution throughout the pores which had average size of 200 μm. The resulted coating layer having 500 nm thickness exhibited porous network morphology with 100 nm pore size. On the other hand, heat treatment conducted subsequent to alkali treatment at 600 °C in air transformed sodium rich coating into crystalline bioactive sodium titanate phases. Although the coatings obtained by additional heat treatment were mechanically stable and preserved their morphology, oxidation of the samples deteriorated the compressive strength significantly without affecting the elastic modulus. However, heat treated samples revealed better hydroxyapatite formation when soaked in simulated body fluid (SBF) compared to alkali treated foams. On the other hand, untreated surfaces containing bioactive TiO2 layer were observed to comprise of Ca and P rich precipitates only rather than hydroxyapatite within 15 days. The apatite formed on the treated porous surfaces was observed to have flower-like structure with Ca/P ratio around 1.5 close to that of natural bone.

Endogenous cyclo-oxygenase activity regulates mouse gastric surface pH

PubMed Central

Baumgartner, Heidi K; Kirbiyik, Uzay; Coskun, Tamer; Chu, Shaoyou; Montrose, Marshall H

2002-01-01

In the stomach, production of prostaglandins by cyclo-oxygenase (COX) is believed to be important in mucosal defence. We tested the hypothesis that endogenous COX activity is required for protective gastric surface pH control. Intact stomachs of anaesthetized mice were perfused with a weakly buffered solution (150 mmNaCl + 4 mm Homopipes) at pH values from 2.5 to 7.0. Gastric effluents were collected to measure pH and estimate amounts of acid or alkali secretion in nanomoles secreted per minute. A switch from net acid to net alkali secretion was seen in response to acidifying luminal pH with an apparent ‘set point’ between pH 4 and 5. At luminal pH 3, the net alkali secretion (12.7 ± 2.8 nmol OH− equivalents min−1) was abolished (2.2 ± 1.7 nmol OH− min−1) by the non-specific COX inhibitor indomethacin (5 mg kg−1 I.P.). Similar inhibition was observed using a COX-1 inhibitor (SC-560; 10 mg kg−1 I.P.), but not a COX-2 inhibitor (NS-398; 10 mg kg−1 I.P.). Subsequent treatment with 16,16-dimethyl prostaglandin E2 (dm-PGE2; 1 mg kg−1 I.P.) rescued the alkali secretion (21.8 ± 2.7 nmol OH− min−1). In either the absence or presence of the H+,K+-ATPase inhibitor omeprazole (60 mg kg−1 I.P.), indomethacin blocked similar amounts of net alkali secretion (10.5 ± 2.7 and 16.4 ± 3.4 nmol OH− min−1, respectively). We also used in vivo confocal microscopy to examine pH near the mucosal surface. The gastric mucosal surface of anaesthetized mice was exposed and mucosal surface pH was imaged using the fluorescence intensity ratio of Cl-NERF as a pH indicator. Results showed a switch from a continuous net acid to net alkali secretion by the stomach in response to changing superfusate pH from 5 to 3. At luminal pH 3, the relatively alkaline surface pH (4.3 ± 0.1) was acidified (3.6 ± 0.2) by indomethacin, and subsequent dm-PGE2 restored surface pH (4.2 ± 0.2). We conclude that the pre-epithelial alkaline layer is regulated by endogenous COX activity. PMID:12411530

Alkali metal yttrium neo-pentoxide double alkoxide precursors to alkali metal yttrium oxide nanomaterials

DOE PAGES

Boyle, Timothy J.; Neville, Michael L.; Sears, Jeremiah Matthew; ...

2016-03-15

In this study, a series of alkali metal yttrium neo-pentoxide ([AY(ONep) 4]) compounds were developed as precursors to alkali yttrium oxide (AYO 2) nanomaterials. The reaction of yttrium amide ([Y(NR 2) 3] where R=Si(CH 3) 3) with four equivalents of H-ONep followed by addition of [A(NR 2)] (A=Li, Na, K) or A o (A o=Rb, Cs) led to the formation of a complex series of A nY(ONep) 3+n species, crystallographically identified as [Y 2Li 3(μ 3-ONep)(μ 3-HONep)(μ-ONep) 5(ONep) 3(HONep) 2] (1), [YNa 2(μ 3-ONep) 4(ONep)] 2 (2), {[Y 2K 3(μ 3-ONep) 3(μ-ONep) 4(ONep) 2(ηξ-tol) 2][Y 4K 2(μ 4-O)(μ 3-ONep) 8(ONep)more » 4]•η x-tol]} (3), [Y 4K 2(μ 4-O)(μ 3-ONep) 8(ONep) 4] (3a), [Y 2Rb 3(μ 4-ONep) 3(μ-ONep) 6] (4), and [Y 2Cs 4(μ 6-O)(μ 3-ONep) 6(μ 3-HONep) 2(ONep) 2(η x-tol) 4]•tol (5). Compounds 1–5 were investigated as single source precursors to AYOx nanomaterials following solvothermal routes (pyridine, 185 °C for 24h). The final products after thermal processing were found by powder X-ray diffraction experiments to be Y 2O 3 with variable sized particles based on transmission electron diffraction. Energy dispersive X-ray spectroscopy studies indicated that the heavier alkali metal species were present in the isolated nanomaterials.« less

Structural features and antioxidant activities of lignins from steam-exploded bamboo (Phyllostachys pubescens).

PubMed

Sun, Shao-Ni; Cao, Xue-Fei; Xu, Feng; Sun, Run-Cang; Jones, Gwynn Lloyd

2014-06-25

An environmentally friendly steam explosion process of bamboo, followed by alkali and alkaline ethanol delignification, was developed to fractionate lignins. Results showed that after steam explosion the lignins isolated showed relatively low carbohydrate contents (0.55-1.76%) and molecular weights (780-1050 g/mol). For each steam-exploded sample, alkali-extracted lignins presented higher phenolic OH values (1.41-1.82 mmol/g), p-coumaric acid to ferulic acid ratios (pCA/FA ratios 4.5-14.1), and syringyl to guaiacyl ratios (S/G ratios 5.0-8.5) than those from alkaline ethanol-extracted lignins (phenolic OH 0.85-1.35 mmol/g, pCA/FA ratios 1.6-5.2, and S/G ratios 3.5-4.8). The lignins obtained consisted mainly of β-O-4' linkages combined with small amounts of β-β', β-5', and α-O-4/β-O-4 linkages. Antioxidant activities of the lignins obtained were tested by the 2,2-diphenyl-1-picrylhydrazyl, 2,2'-azobis(3-ethylbenzothiazoline-6-sulfonic acid), and ferric reducing activity power methods. It was found that alkali-extracted lignins obtained during the initial extraction process had higher antioxidant activities than alkaline ethanol-extracted lignins obtained during the second extraction process.

Activated carbon fiber composite as a new material for electrical and electrochemical applications

NASA Astrophysics Data System (ADS)

Nasr, Mohamed Fathy

Activated carbon fiber (ACF) is a microporous material consisting of three-dimensional network of micrographitic layers. The micrographitic edges have a considerable amount of active functional groups (such as -COOH, -OH, -CO-, -O-) and dangling bonds. The huge specific surface area (up to 3000 m2/g) is another important property of ACF. Exploitation of the high surface area and the reactivity of the functional groups of ACF, through incorporating or doping ACF with transition metal salts (M) and/or binder (B), was used to enhance the electrical properties of ACF. Such treatments created new interfaces such as (ACF/M, ACF/M/B, and ACF/B/M) through which an extra charge can be localized, transferred, or stored. This process can be of great benefit in energy storage devices such as supercapacitors for computer memory backup. In this work, activated carbon fiber nonwoven fabrics have been impregnated with different concentrations of organometallic Cu and Zn salts, a carbonaceous sot binder, or mixtures of both, followed by thermal treatment over a temperature range 300°C--900°C under an inert atmosphere. The use of carbonaceous sot as a binder has used in the study, is novel. Electrical measurements, current-voltage characterization, current-time relationship, as well as the relative permittivity and impedance of ACF composites, have been conducted. The electric double-layer capacitance of the as-received and the ACF composites were also evaluated.

Preparation of granular activated carbons from composite of powder activated carbon and modified β-zeolite and application to heavy metals removal.

PubMed

Seyedein Ghannad, S M R; Lotfollahi, M N

2018-03-01

Heavy metals are continuously contaminating the surface and subsurface water. The adsorption process is an attractive alternative for removing the heavy metals because of its low cost, simple operation, high efficiency, and flexible design. In this study, influences of β-zeolite and Cu-modified β-zeolite on preparation of granular activated carbons (GACs) from a composite of powder activated carbon (PAC), methylcellulose as organic binder, bentonite as inorganic binder, and water were investigated. A number of granular samples were prepared by controlling the weight percentage of binder materials, PAC and zeolites as a reinforcing adsorbent. Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction techniques were employed to characterize zeolite, modified zeolite and produced GAC. The produced GACs were used as the adsorbent for removal of Zn +2 , Cd 2+ and Pb 2+ ions from aqueous solutions. The results indicated that the adsorption of metals ions depended on the pH (5.5) and contact time (30 min). Maximum adsorption of 97.6% for Pb 2+ , 95.9% for Cd 2+ and 91.1% for Zn +2 occurred with a new kind of GAC made of Cu-modified β-zeolite. The Zn +2 , Cd 2+ and Pb 2+ ions sorption kinetics data were well described by a pseudo-second order model for all sorbents. The Langmuir and Freundlich isotherm models were applied to analyze the experimental equilibrium data.

Development of non-petroleum-based binders for use in flexible pavements - phase II.

DOT National Transportation Integrated Search

2015-10-01

Bio-binders can be utilized as asphalt modifiers, extenders, and replacements for conventional asphalt in bituminous binders. : From the rheology results of Phase I of this project, it was found that the bio-binders tested had good performance, simil...

Study of the reaction of tungsten carbide in molten alkali metal nitrates. Syntheses of divalent (s and d blocks) metal tungstates

NASA Astrophysics Data System (ADS)

Deloume, Jean-Pierre; Marote, Pedro; Sigala, Catherine; Matei, Cristian

2003-08-01

WC is tested as precursor to synthesize metal tungstates by reaction in molten alkali metal nitrates. This constitutes a complex redox system with two reducing agents, W and C, and an oxidizer having several oxidation states. The mass loss due to the evolution of gases reveals the reaction steps. The infrared analyses of the gas phase show what kind of reaction develops according to the temperature. WC produces a water-soluble alkali metal tungstate. The reaction of a mixture of WC and a divalent metal chloride (Mg, Ca, Ba, Ni, Cu, Zn) leads to water-insoluble metal tungstates. As the reactivity of the cations increases in the order Zn, Ni, Cu, the reaction of WC is modified by their presence. The physico-chemical characterizations of the products show that some of them are contaminated either by WC or by metal oxide. Some others are rather pure products. These differences, in relationship with the other analyses, allow to propose first reaction pathways of the tungsten carbide in molten salts.

Loss of TRPV4 Function Suppresses Inflammatory Fibrosis Induced by Alkali-Burning Mouse Corneas

PubMed Central

Okada, Yuka; Shirai, Kumi; Miyajima, Masayasu; Reinach, Peter S.; Yamanaka, Osamu; Sumioka, Takayoshi; Kokado, Masahide; Tomoyose, Katsuo; Saika, Shizuya

2016-01-01

In humans suffering from pulmonary disease and a mouse model, transient receptor potential vanilloid 4 (TRPV4) channel activation contributes to fibrosis. As a corneal alkali burn induces the same response, we determined if such an effect is also attributable to TRPV4 activation in mice. Accordingly, we determined if the alkali burn wound healing responses in wild-type (WT) mice are different than those in their TRPV4-null (KO) counterpart. Stromal opacification due to fibrosis in KO (n = 128) mice was markedly reduced after 20 days relative to that in WT (n = 157) mice. Immunohistochemistry revealed that increases in polymorphonuclear leukocytes and macrophage infiltration declined in KO mice. Semi-quantitative real time RT-PCR of ocular KO fibroblast cultures identified increases in proinflammatory and monocyte chemoattractant protein-1 chemoattractant gene expression after injury. Biomarker gene expression of fibrosis, collagen1a1 and α-smooth muscle actin were attenuated along with macrophage release of interleukin-6 whereas transforming growth factor β, release was unchanged. Tail vein reciprocal bone marrow transplantation between WT and KO chimera mouse models mice showed that reduced scarring and inflammation in KO mice are due to loss of TRPV4 expression on both corneal resident immune cells, fibroblasts and infiltrating polymorphonuclear leukocytes and macrophages. Intraperitoneal TRPV4 receptor antagonist injection of HC-067047 (10 mg/kg, daily) into WT mice reproduced the KO-phenotype. Taken together, alkali-induced TRPV4 activation contributes to inducing fibrosis and inflammation since corneal transparency recovery was markedly improved in KO mice. PMID:28030558

Effect of plant growth-promoting bacteria (PGPR) and arbuscular mycorrhizal fungi (AMF) inoculation on oats in saline-alkali soil contaminated by petroleum to enhance phytoremediation.

PubMed

Xun, Feifei; Xie, Baoming; Liu, Shasha; Guo, Changhong

2015-01-01

To investigate the effect of plant growth-promoting bacteria (PGPR) and arbuscular mycorrhizal fungi (AMF) on phytoremediation in saline-alkali soil contaminated by petroleum, saline-alkali soil samples were artificially mixed with different amount of oil, 5 and 10 g/kg, respectively. Pot experiments with oat plants (Avena sativa) were conducted under greenhouse condition for 60 days. Plant biomass, physiological parameters in leaves, soil enzymes, and degradation rate of total petroleum hydrocarbon were measured. The result demonstrated that petroleum inhibited the growth of the plant; however, inoculation with PGPR in combination with AMF resulted in an increase in dry weight and stem height compared with noninoculated controls. Petroleum stress increased the accumulation of malondialdehyde (MDA) and free proline and the activities of the antioxidant enzyme such as superoxide dismutase, catalase, and peroxidase. Application of PGPR and AMF augmented the activities of three enzymes compared to their respective uninoculated controls, but decreased the MDA and free proline contents, indicating that PGPR and AMF could make the plants more tolerant to harmful hydrocarbon contaminants. It also improved the soil quality by increasing the activities of soil enzyme such as urease, sucrase, and dehydrogenase. In addition, the degradation rate of total petroleum hydrocarbon during treatment with PGPR and AMF in moderately contaminated soil reached a maximum of 49.73%. Therefore, we concluded the plants treated with a combination of PGPR and AMF had a high potential to contribute to remediation of saline-alkali soil contaminated with petroleum.

Investigation of the Effect of Oil Modification on Critical Characteristics of Asphalt Binders

NASA Astrophysics Data System (ADS)

Golalipour, Amir

Thermally induced cracking of asphalt pavement continues to be a serious issue in cold climate regions as well as in areas which experience extreme daily temperature differentials. Low temperature cracking of asphalt pavements is attributed to thermal stresses and strains developed during cooling cycles. Improving asphalt binder low temperature fracture and stiffness properties continues to be a subject of particular concern. Therefore, significant amount of research has been focused on improving asphalt binder properties through modification. In recent years, wide ranges of oil based modifications have been introduced to improve asphalt binder performance, especially at the low service temperatures. Although, significant use of these oils is seen in practice, knowledge of the fundamental mechanisms of oil modification and their properties for achieving optimum characteristics is limited. Hence, this study focuses on better understanding of the effect of oil modifiers which would help better material selection and achieve optimum performance in terms of increasing the life span of pavements. In this study, the effect of oil modification on the rheological properties of the asphalt binder is investigated. To examine the effect of oil modification on binder characteristics, low temperature properties as well as high temperature performance of oil modified binders were evaluated. It is found that oils vary in their effects on asphalt binder performance. However, for all oils used in the study, adding an oil to binder can improve binder low temperature performance, and this result mainly attributed to the softening effect. In addition to that, a simple linear model is proposed to predict the performance grade of oil modified binder based on the properties of its constituents at high and low temperatures. Another part of this study focuses on the oil modification effect on asphalt binder thermal strain and stresses. A viscoelastic analytical procedure is combined with experimentally derived failure stress and strain envelopes to determine the controlling failure mechanism, strain tolerance or critical stress, in thermal cracking of oil modified binders. The low temperature failure results depict that oil modification has a good potential of improving the cracking resistance of asphalt binders during thermal cycles.

Structural characterization of lignin in the process of cooking of cornstalk with solid alkali and active oxygen.

PubMed

Yang, Qiulin; Shi, Jianbin; Lin, Lu; Zhuang, Junping; Pang, Chunsheng; Xie, Tujun; Liu, Ying

2012-05-09

A novel, efficient, and environmentally friendly technology is used in cornstalk cooking, active oxygen (O₂ and H₂O₂) cooking with solid alkali (MgO). After the cooking, the milled wood lignin in the raw material and pulp and the water-soluble and insoluble lignin in the yellow liquor were all characterized by attenuated total reflectance Fourier transform infrared spectroscopy and two-dimensional heteronuclear single-quantum coherence NMR. The results showed that the cooking procedure with solid alkali and active oxygen had a high selectivity for delignification, which could remove 85.5% of the lignin from the raw material. The syringyl (S/S'/S') units could be dissolved preferentially because of their high reactivity, and a novel guaiacyl unit with a carbonyl group (G') was generated in the cooking process. Moreover, during the cooking, the β-O-4' (A/A'/A″) structures as the main side-chain linkages in all the lignins could be partly broken and the β-O-4' (A') with a ring-conjugated structure was readily attacked by oxygen, whereas the H unit and β-5' and β-β' structures were found to stay stable without characteristic reaction.

Urease activity in different soils of Egypt.

PubMed

el-Shinnawi, M M

1978-01-01

Samples from two depths (0--15 and 15--30 cm) of five Egyptian soils: sandy, calcareous, fertile alluvial, saline alluvial, and alkali alluvial were tested for urease activity. Samples were treated with farmyard manure at rates of 0 and 0.5% C, and moisture at levels of 50, 65, and 80% of the water holding capacity. The studied Egyptian soils showed different activities of urease. Decreases in the values were shown by depth of sampling and varied in their intensities according to soil type, except for saline soil which revealed an opposite trend by the higher activity of its sub-surface layer. Order of activity was the following: fertile, saline, alkali, calcareous, and sandy soil. Farmyard manure slightly increased the activity of the enzyme. Incubation of moistened samples revealed that the optimum moisture content was 50% of W.H.C. for the tested soils, except for saline which showed best results at 65% of W.H.C.

Investigating the binding behaviour of two avidin-based testosterone binders using molecular recognition force spectroscopy.

PubMed

Rangl, Martina; Leitner, Michael; Riihimäki, Tiina; Lehtonen, Soili; Hytönen, Vesa P; Gruber, Hermann J; Kulomaa, Markku; Hinterdorfer, Peter; Ebner, Andreas

2014-02-01

Molecular recognition force spectroscopy, a biosensing atomic force microscopy technique allows to characterise the dissociation of ligand-receptor complexes at the molecular level. Here, we used molecular recognition force spectroscopy to study the binding capability of recently developed testosterone binders. The two avidin-based proteins called sbAvd-1 and sbAvd-2 are expected to bind both testosterone and biotin but differ in their binding behaviour towards these ligands. To explore the ligand binding and dissociation energy landscape of these proteins, we tethered biotin or testosterone to the atomic force microscopy probe while the testosterone-binding protein was immobilized on the surface. Repeated formation and rupture of the ligand-receptor complex at different pulling velocities allowed determination of the loading rate dependence of the complex-rupturing force. In this way, we obtained the molecular dissociation rate (k(off)) and energy landscape distances (x(β)) of the four possible complexes: sbAvd-1-biotin, sbAvd-1-testosterone, sbAvd-2-biotin and sbAvd-2-testosterone. It was found that the kinetic off-rates for both proteins and both ligands are similar. In contrast, the x(β) values, as well as the probability of complex formations, varied considerably. In addition, competitive binding experiments with biotin and testosterone in solution differ significantly for the two testosterone-binding proteins, implying a decreased cross-reactivity of sbAvd-2. Unravelling the binding behaviour of the investigated testosterone-binding proteins is expected to improve their usability for possible sensing applications. Copyright © 2014 John Wiley & Sons, Ltd.

Therapeutic Effect of Topical Administration of SN50, an Inhibitor of Nuclear Factor-κB, in Treatment of Corneal Alkali Burns in Mice

PubMed Central

Saika, Shizuya; Miyamoto, Takeshi; Yamanaka, Osamu; Kato, Tadashi; Ohnishi, Yoshitaka; Flanders, Kathleen C.; Ikeda, Kazuo; Nakajima, Yuji; Kao, Winston W.-Y.; Sato, Misako; Muragaki, Yasuteru; Ooshima, Akira

2005-01-01

We evaluated the therapeutic efficacy of topical administration of SN50, an inhibitor of nuclear factor-κB, in a corneal alkali burn model in mice. An alkali burn was produced with 1 N NaOH in the cornea of C57BL/6 mice under general anesthesia. SN50 (10 μg/μl) or vehicle was topically administered daily for up to 12 days. The eyes were processed for histological or immunohistochemical examination after bromodeoxyuridine labeling or for semiquantification of cytokine mRNA. Topical SN50 suppressed nuclear factor-κB activation in local cells and reduced the incidence of epithelial defects/ulceration in healing corneas. Myofibroblast generation, macrophage invasion, activity of matrix metalloproteinases, basement membrane destruction, and expression of cytokines were all decreased in treated corneas compared with controls. To elucidate the role of tumor necrosis factor (TNF)-α in epithelial cell proliferation, we performed organ culture of mouse eyes with TNF-α, SN50, or an inhibitor of c-Jun N-terminal kinase (JNK) and examined cell proliferation in healing corneal epithelium in TNF-α−/− mice treated with SN50. An acceleration of epithelial cell proliferation by SN50 treatment was found to depend on TNF-α/JNK signaling. In conclusion, topical application of SN50 is effective in treating corneal alkali burns in mice. PMID:15855640

Effects of binders on the electrochemical performance of rechargeable magnesium batteries

NASA Astrophysics Data System (ADS)

Wang, Nan; NuLi, Yanna; Su, Shuojian; Yang, Jun; Wang, Jiulin

2017-02-01

A comparative study on the effects of different binders on the electrochemical performance of rechargeable magnesium batteries with Mo6S8 cathode is conducted for the first time. The selected binders are commercial organic-soluble polyvinylidene fluoride (PVDF), water-soluble poly(acrylic acid) (PAA), poly(vinyl alcohol) (PVA), gelatin, sodium alginate (SA) and Beta-cyclodextrin (β-CD). The binders significantly affect the physical properties, thus the electrochemical performance of Mo6S8 cathode. Compared with those using traditional PVDF binder, Mo6S8 electrodes with PAA and PVA exhibit enhanced cycling stabilities and rate capabilities, which are attributed to the improved cohesion among the electrode constituents and adhesion between the electrode laminate and the current collector. In addition, the anodic stability of these binders is not only related to the chemical structure of binders, but also to the uniformity of electrode surface. SA binder shows low anodic stability duo to containing easily oxidized groups. Non-uniform electrode surface decreases the anodic stability of PVDF based Mo6S8 electrode. Gelatin can be used as a binder in the formulation of high voltage cathodes for rechargeable magnesium batteries.

Polynuclear complexes of copper(I) halides: coordination chemistry and catalytic transformations of alkynes

NASA Astrophysics Data System (ADS)

Mykhalichko, B. M.; Temkin, Oleg N.; Mys'kiv, M. G.

2000-11-01

Characteristic features of the coordination chemistry of Cu(I) and mechanisms of catalytic conversions of alkynes in the CuCl-MCl-H2O-HC≡CR system (MCl is alkali metal or ammonium chloride or amine hydrochloride; R=H, CH2OH, CH=CH2, etc.) are analysed based on studies of the compositions and structures of copper(I) chloride (bromide) complexes, alkyne π-complexes and ethynyl organometallic polynuclear compounds formed in this system in solutions and in the crystalline state. The role of polynuclear complexes in various reactions of alkynes is discussed. The bibliography includes 149 references.

Na intercalation in Fe-MIL-100 for aqueous Na-ion batteries

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

Chavez, James S.; Harrison, Katharine L.; Sava Gallis, Dorina F.

Here we report for the first time the feasibility of using metal–organic frameworks (MOFs) as electrodes for aqueous Na-ion batteries. We show that Fe-MIL-100, a known redox-active MOF, is electrochemically active in a Na aqueous electrolyte, under various compositions. Emphasis was placed on investigating the electrode–electrolyte interface, with a focus on identifying the relationship between additives in the composition of the working electrode, particle size and overall performance. We found that the energy storage capacity is primarily dependent on the binder additive in the composite; the best activity for this MOF is obtained with Nafion as a binder, owing tomore » its hydrophilic and ion conducting nature. Kynar-bound electrodes are clearly less effective, due to their hydrophobic character, which impedes wetting of the electrode. The binder-free systems show the poorest electrochemical activity. There is little difference in the overall performance as function of particle size (micro vs. nano), implying the storage capacities in this study are not limited by ionic and/or electronic conductivity. Excellent reversibility and high coulombic efficiency are achieved at higher potential ranges, observed after cycle 20. That is despite progressive capacity decay observed in the initial cycles. Importantly, structural analyses of cycled working electrodes confirm that the long range crystallinity remains mainly unaltered with cycling. These findings suggest that limited reversibility of the intercalated Na ions in the lower potential range, together with the gradual lack of available active sites in subsequent cycles is responsible for the rapid decay in capacity retention.« less

Na intercalation in Fe-MIL-100 for aqueous Na-ion batteries

DOE PAGES

Chavez, James S.; Harrison, Katharine L.; Sava Gallis, Dorina F.

2017-05-04

Here we report for the first time the feasibility of using metal–organic frameworks (MOFs) as electrodes for aqueous Na-ion batteries. We show that Fe-MIL-100, a known redox-active MOF, is electrochemically active in a Na aqueous electrolyte, under various compositions. Emphasis was placed on investigating the electrode–electrolyte interface, with a focus on identifying the relationship between additives in the composition of the working electrode, particle size and overall performance. We found that the energy storage capacity is primarily dependent on the binder additive in the composite; the best activity for this MOF is obtained with Nafion as a binder, owing tomore » its hydrophilic and ion conducting nature. Kynar-bound electrodes are clearly less effective, due to their hydrophobic character, which impedes wetting of the electrode. The binder-free systems show the poorest electrochemical activity. There is little difference in the overall performance as function of particle size (micro vs. nano), implying the storage capacities in this study are not limited by ionic and/or electronic conductivity. Excellent reversibility and high coulombic efficiency are achieved at higher potential ranges, observed after cycle 20. That is despite progressive capacity decay observed in the initial cycles. Importantly, structural analyses of cycled working electrodes confirm that the long range crystallinity remains mainly unaltered with cycling. These findings suggest that limited reversibility of the intercalated Na ions in the lower potential range, together with the gradual lack of available active sites in subsequent cycles is responsible for the rapid decay in capacity retention.« less

The effect of specific solvent-solute interactions on complexation of alkali-metal cations by a lower-rim calix[4]arene amide derivative.

PubMed

Horvat, Gordan; Stilinović, Vladimir; Kaitner, Branko; Frkanec, Leo; Tomišić, Vladislav

2013-11-04

Complexation of alkali-metal cations with calix[4]arene secondary-amide derivative, 5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetra(N-hexylcarbamoylmethoxy)calix[4]arene (L), in benzonitrile (PhCN) and methanol (MeOH) was studied by means of microcalorimetry, UV and NMR spectroscopies, and in the solid state by X-ray crystallography. The inclusion of solvent molecules (including acetonitrile, MeCN) in the calixarene hydrophobic cavity was also investigated. The classical molecular dynamics (MD) simulations of the systems studied were carried out. By combining the results obtained using the mentioned experimental and computational techniques, an attempt was made to get an as detailed insight into the complexation reactions as possible. The thermodynamic parameters, that is, equilibrium constants, reaction Gibbs energies, enthalpies, and entropies, of the investigated processes were determined and discussed. The stability constants of the 1:1 (metal:ligand) complexes measured by different methods were in very good agreement. Solution Gibbs energies of the ligand and its complexes with Na(+) and K(+) in methanol and acetonitrile were determined. It was established that from the thermodynamic point of view, apart from cation solvation, the most important reason for the huge difference in the stability of these complexes in the two solvents lay in the fact that the transfer of complex species from MeOH to MeCN was quite favorable. That could be at least partly explained by a more exergonic inclusion of the solvent molecule in the complexed calixarene cone in MeCN as compared to MeOH, which was supported by MD simulations. Molecular and crystal structures of the lithium cation complex of L with the benzonitrile molecule bound in the hydrophobic calixarene cavity were determined by single-crystal X-ray diffraction. As far as we are aware, for the first time the alkali-metal cation was found to be coordinated by the solvent nitrile group in a calixarene adduct. According to the results of MD simulations, the probability of such orientation of the benzonitrile molecule included in the ligand cone was by far the largest in the case of LiL(+) complex. Because of the favorable PhCN-Li(+) interaction, L was proven to have the highest affinity toward the lithium ion in benzonitrile, which was not the case in the other solvents examined (in acetonitrile, sodium complex was the most stable, whereas in methanol, complexation of lithium was not even observed). That could serve as a remarkable example showing the importance of specific solvent-solute interactions in determining the equilibrium in solution.

21 CFR 880.5160 - Therapeutic medical binder.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Therapeutic medical binder. 880.5160 Section 880...) MEDICAL DEVICES GENERAL HOSPITAL AND PERSONAL USE DEVICES General Hospital and Personal Use Therapeutic Devices § 880.5160 Therapeutic medical binder. (a) Identification. A therapeutic medical binder is a...

21 CFR 880.5160 - Therapeutic medical binder.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Therapeutic medical binder. 880.5160 Section 880...) MEDICAL DEVICES GENERAL HOSPITAL AND PERSONAL USE DEVICES General Hospital and Personal Use Therapeutic Devices § 880.5160 Therapeutic medical binder. (a) Identification. A therapeutic medical binder is a...

Exsolution as an Example of Complex-System Behavior

NASA Astrophysics Data System (ADS)

Mogk, D. W.; Dutrow, B. L.

2010-12-01

Exsolution in minerals is an important process that occurs in a wide range of mineral groups (e.g. alkali feldspars, pyroxenes, amphiboles, carbonates, oxides, sulfides) in response to changing physical conditions. Exsolution describes a physical process in which a mineral with an initially homogeneous solid solution separates into at least two distinct derivative minerals of disparate composition and is typically interpreted as the product of unmixing in response to lattice strain during slow cooling. Such a process is typically taught in introductory mineralogy and petrology courses, in part because exsolution textures can be readily observed in hand sample or thin section. Exsolution is typically represented on equilibrium binary phase diagrams (T-X), and compositions of the unmixed products can be used in geothermobarometry to calculate temperatures and pressures of initial equilibration or compositions of the unmixed products. Although central to course content, traditional approaches to teaching exsolution are largely descriptive, and do not address the underlying principles that drive this phenomenon: that is, dissipation of energy results in segregating and self-organizing behavior of the system. This process exemplifies complex-system behavior. We use perthite formation (i.e. exsolution in the alkali feldspar system) in a series of scaffolded exercises to teach and more completely demonstrate complex-system behavior. These exercises include the use of: 1) hand samples and a series of optical and TEM photomicrographs to display the scale invariance of perthite textures; 2) a puzzle activity in which a chessboard is used as an analog model of atomic positions and nickels and pennies are used to represent individual atoms (Na and K respectively); sequential moves to optimize contacts with similar coins approximates minimization of lattice energies and reveals a power-law relationship as the system becomes increasingly segregated as a function of time to create exsolution textures; 3) the NetLogo computer modeling program to demonstrate segregating behavior; 4) visualizations based on the binary alkali feldspar phase diagram to demonstrate changes to the state of the system over a range of temperatures, and 5) a series of follow-on thought questions. An interesting apparent paradox that our students should consider concerns the flow of mass and energy in natural systems. Commonly, we simply note that mass and energy typically flow down natural gradients (thermal, chemical potential) to attain a homogeneous equilibrium state; however, exsolution produces a segregated state of the system in the lowest energy configuration. Why? Complex-system behavior can be discovered in a wide range of geological phenomena such as exsolution, and could be explicitly identified throughout the geoscience curriculum as a mechanism to teach about interacting systems.

A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties

NASA Astrophysics Data System (ADS)

Wang, Jin-Hua; Tang, Gui-Mei; Qin, Ting-Xiao; Yan, Shi-Chen; Wang, Yong-Tao; Cui, Yue-Zhi; Weng Ng, Seik

2014-11-01

Four new metal coordination complexes, namely, [Na(BTA)]n (1), [K2(BTA)2(μ2-H2O)]n (2), and [M(BTA)2(H2O)2]n (M=Ca(II) and Sr(II) for 3 and 4, respectively) [BTA=2-(1H-benzotriazol-1-yl) acetic anion], have been obtained under hydrothermal condition, by reacting the different alkali and alkaline-earth metal hydroxides with HBTA. Complexes 1-4 were structurally characterized by X-ray single-crystal diffraction, EA, IR, PXRD, and thermogravimetry analysis (TGA). These complexes display low-dimensional features displaying various two-dimensional (2D) and one-dimensional (1D) coordination motifs. Complex 1 displays a 2D layer with the thickness of 1.5 nm and possesses a topologic structure of a 11 nodal net with Schläfli symbol of {318}. Complex 2 also shows a thick 2D sheet and its topologic structure is a 9 nodes with Schläfli symbol of {311×42}. Complexes 3 and 4 possess a 1D linear chain and further stack via hydrogen bonding interactions to generate a three-dimensional supramolecular architecture. These results suggest that both the coordination preferences of the metal ions and the versatile nature of this flexible ligand play a critical role in the final structures. The luminescent spectra show strong emission intensities in complexes 1-4, which display violet photoluminescence. Additionally, ferroelectric, dielectric and nonlinear optic (NLO) second-harmonic generation (SHG) properties of 2 are discussed in detail.