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Sample records for molecular sieve control

  1. A controllable molecular sieve for Na+ and K+ ions.

    PubMed

    Gong, Xiaojing; Li, Jichen; Xu, Ke; Wang, Jianfeng; Yang, Hui

    2010-02-17

    The selective rate of specific ion transport across nanoporous material is critical to biological and nanofluidic systems. Molecular sieves for ions can be achieved by steric and electrical effects. However, the radii of Na(+) and K(+) are quite similar; they both carry a positive charge, making them difficult to separate. Biological ionic channels contain precisely arranged arrays of amino acids that can efficiently recognize and guide the passage of K(+) or Na(+) across the cell membrane. However, the design of inorganic channels with novel recognition mechanisms that control the ionic selectivity remains a challenge. We present here a design for a controllable ion-selective nanopore (molecular sieve) based on a single-walled carbon nanotube with specially arranged carbonyl oxygen atoms modified inside the nanopore, which was inspired by the structure of potassium channels in membrane spanning proteins (e.g., KcsA). Our molecular dynamics simulations show that the remarkable selectivity is attributed to the hydration structure of Na(+) or K(+) confined in the nanochannels, which can be precisely tuned by different patterns of the carbonyl oxygen atoms. The results also suggest that a confined environment plays a dominant role in the selectivity process. These studies provide a better understanding of the mechanism of ionic selectivity in the KcsA channel and possible technical applications in nanotechnology and biotechnology, including serving as a laboratory-in-nanotube for special chemical interactions and as a high-efficiency nanodevice for purification or desalination of sea and brackish water. PMID:20102186

  2. Investigation of Y/SBA Composite Molecular Sieves Morphology Control and Catalytic Performance for n-Pentane Aromatization.

    PubMed

    Shi, Chun-Wei; Wu, Wen-Yuan; Li, Shuai; Bian, Xue; Zhao, Shan-Lin; Pei, Ming-Yuan

    2016-01-01

    Using Y molecular sieve as the core, Y/SBA-15 composite molecular sieves were prepared by different crystallization methods in the paper. The growth process and morphologies of the composite molecular sieves were controlled by adjusting the synthesis factors. The structures and acidity of two kinds of composite molecular sieves were characterized by X-ray diffraction (XRD), N2 adsorption/desorption, transmission electron microscopy (TEM), and NH3-TPD. The catalysis performances of the composite molecular sieves were investigated in the aromatization reaction of n-pentane. The results indicated that the desired core-shell composite molecular sieves were obtained when the crystallization conditions were 36 hours, 100 °C and secondary crystallization. The aromatization results showed that core-shell composite molecular sieves had better selectivity for producing high application value xylenes compared to mixed-crystal composite molecular sieves. PMID:27029526

  3. Investigation of Y/SBA Composite Molecular Sieves Morphology Control and Catalytic Performance for n-Pentane Aromatization

    PubMed Central

    Shi, Chun-Wei; Wu, Wen-Yuan; Li, Shuai; Bian, Xue; Zhao, Shan-lin; Pei, Ming-Yuan

    2016-01-01

    Using Y molecular sieve as the core, Y/SBA-15 composite molecular sieves were prepared by different crystallization methods in the paper. The growth process and morphologies of the composite molecular sieves were controlled by adjusting the synthesis factors. The structures and acidity of two kinds of composite molecular sieves were characterized by X-ray diffraction (XRD), N2 adsorption/desorption, transmission electron microscopy (TEM), and NH3-TPD. The catalysis performances of the composite molecular sieves were investigated in the aromatization reaction of n-pentane. The results indicated that the desired core-shell composite molecular sieves were obtained when the crystallization conditions were 36 hours, 100 °C and secondary crystallization. The aromatization results showed that core-shell composite molecular sieves had better selectivity for producing high application value xylenes compared to mixed-crystal composite molecular sieves. PMID:27029526

  4. Space station molecular sieve development

    NASA Technical Reports Server (NTRS)

    Chang, C.; Rousseau, J.

    1986-01-01

    An essential function of a space environmental control system is the removal of carbon dioxide (CO2) from the atmosphere to control the partial pressure of this gas at levels lower than 3 mm Hg. The use of regenerable solid adsorbents for this purpose was demonstrated effectively during the Skylab mission. Earlier sorbent systems used zeolite molecular sieves. The carbon molecular sieve is a hydrophobic adsorbent with excellent potential for space station application. Although carbon molecular sieves were synthesized and investigated, these sieves were designed to simulate the sieving properties of 5A zeolite and for O2/N2 separation. This program was designed to develop hydrophobic carbon molecular sieves for CO2 removal from a space station crew environment. It is a first phase effort involved in sorbent material development and in demonstrating the utility of such a material for CO2 removal on space stations. The sieve must incorporate the following requirements: it must be hydrophobic; it must have high dynamic capacity for carbon dioxide at the low partial pressure of the space station atmosphere; and it must be chemiclly stable and will not generate contaminants.

  5. Controlled thermal oxidative crosslinking of polymers of intrinsic microporosity towards tunable molecular sieve membranes

    NASA Astrophysics Data System (ADS)

    Song, Qilei; Cao, Shuai; Pritchard, Robyn H.; Ghalei, Behnam; Al-Muhtaseb, Shaheen A.; Terentjev, Eugene M.; Cheetham, Anthony K.; Sivaniah, Easan

    2014-09-01

    Organic open frameworks with well-defined micropore (pore dimensions below 2 nm) structure are attractive next-generation materials for gas sorption, storage, catalysis and molecular level separations. Polymers of intrinsic microporosity (PIMs) represent a paradigm shift in conceptualizing molecular sieves from conventional ordered frameworks to disordered frameworks with heterogeneous distributions of microporosity. PIMs contain interconnected regions of micropores with high gas permeability but with a level of heterogeneity that compromises their molecular selectivity. Here we report controllable thermal oxidative crosslinking of PIMs by heat treatment in the presence of trace amounts of oxygen. The resulting covalently crosslinked networks are thermally and chemically stable, mechanically flexible and have remarkable selectivity at permeability that is three orders of magnitude higher than commercial polymeric membranes. This study demonstrates that controlled thermochemical reactions can delicately tune the topological structure of channels and pores within microporous polymers and their molecular sieving properties.

  6. Molecular Sieve Regeneration System (MSRS)

    SciTech Connect

    Nasise, J.E.; Anderson, J.L. ); Naruse, Y. )

    1992-01-01

    A Molecular Sieve Regeneration System (MSRS) was added to the existing Tritium Waste Treatment system (TWT) within the Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory. The Department of Energy (DOE) no longer allows inventory by difference'' for radioactive wastes that are to be buried. The MSRS was designed and built to comply with this requirement. Within the TWT, water is generated by the catalytic conversion of hydrogen isotopes and removed by molecular sieve trapping prior to release to the environment. Molecular sieve regeneration is required to remove the trapped water and to rejuvenate the beds. The MSRS permits the collection and direct tritium assay of regenerated tritiated water from molecular sieve beds. This paper describes the MSRS in detail and how it is interfaced with the TWT.

  7. Molecular Sieve Regeneration System (MSRS)

    SciTech Connect

    Nasise, J.E.; Anderson, J.L.; Naruse, Y.

    1992-03-01

    A Molecular Sieve Regeneration System (MSRS) was added to the existing Tritium Waste Treatment system (TWT) within the Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory. The Department of Energy (DOE) no longer allows ``inventory by difference`` for radioactive wastes that are to be buried. The MSRS was designed and built to comply with this requirement. Within the TWT, water is generated by the catalytic conversion of hydrogen isotopes and removed by molecular sieve trapping prior to release to the environment. Molecular sieve regeneration is required to remove the trapped water and to rejuvenate the beds. The MSRS permits the collection and direct tritium assay of regenerated tritiated water from molecular sieve beds. This paper describes the MSRS in detail and how it is interfaced with the TWT.

  8. Niobate-based octahedral molecular sieves

    DOEpatents

    Nenoff, Tina M.; Nyman, May D.

    2006-10-17

    Niobate-based octahedral molecular sieves having significant activity for multivalent cations and a method for synthesizing such sieves are disclosed. The sieves have a net negatively charged octahedral framework, comprising niobium, oxygen, and octahedrally coordinated lower valence transition metals. The framework can be charge balanced by the occluded alkali cation from the synthesis method. The alkali cation can be exchanged for other contaminant metal ions. The ion-exchanged niobate-based octahedral molecular sieve can be backexchanged in acidic solutions to yield a solution concentrated in the contaminant metal. Alternatively, the ion-exchanged niobate-based octahedral molecular sieve can be thermally converted to a durable perovskite phase waste form.

  9. Niobate-based octahedral molecular sieves

    DOEpatents

    Nenoff, Tina M.; Nyman, May D.

    2003-07-22

    Niobate-based octahedral molecular sieves having significant activity for multivalent cations and a method for synthesizing such sieves are disclosed. The sieves have a net negatively charged octahedral framework, comprising niobium, oxygen, and octahedrally coordinated lower valence transition metals. The framework can be charge balanced by the occluded alkali cation from the synthesis method. The alkali cation can be exchanged for other contaminant metal ions. The ion-exchanged niobate-based octahedral molecular sieve can be backexchanged in acidic solutions to yield a solution concentrated in the contaminant metal. Alternatively, the ion-exchanged niobate-based octahedral molecular sieve can be thermally converted to a durable perovskite phase waste form.

  10. Investigations to improve carbon dioxide control with amine and molecular sieve type sorbers

    NASA Technical Reports Server (NTRS)

    Bertrand, J. F.; Brose, H. F.; Kester, F. L.; Lunde, P. J.

    1972-01-01

    The optimization trends and operating parameters of an integral molecular sieve bed heat exchanger were investigated. The optimum combination of substrate and coating for the HS-B porous polymer was determined based on the CO2 dynamic capacity in the presence of water vapor. Full size HS-B canister performance was evaluated. An Amine CO2 Concentrator utilizing IR-45 sorber material and available Manned Orbiting Laboratory hardware was designed, fabricated and tested for use as an experiment in the NASA 90-day space simulator test of 1970. It supported four men in the simulator for 71 days out of the 90-day test duration.

  11. Carbon fiber composite molecular sieves

    SciTech Connect

    Burchell, T.D.; Rogers, M.R.; Williams, A.M.

    1996-06-01

    The removal of CO{sub 2} is of significance in several energy applications. The combustion of fossil fuels, such as coal or natural gas, releases large volumes of CO{sub 2} to the environment. Several options exist to reduce CO{sub 2} emissions, including substitution of nuclear power for fossil fuels, increasing the efficiency of fossil plants and capturing the CO{sub 2} prior to emission to the environment. All of these techniques have the attractive feature of limiting the amount of CO{sub 2} emitted to the atmosphere, but each has economic, technical, or societal limitations. In the production of natural gas, the feed stream from the well frequently contains contaminants and diluents which must be removed before the gas can enter the pipeline distribution system. Notable amongst these diluent gasses is CO{sub 2}, which has no calorific value. Currently, the pipeline specification calls for <2 mol % CO{sub 2} in the gas. Gas separation is thus a relevant technology in the field of energy production. A novel separation system based on a parametric swing process has been developed that utilizes the unique combination of properties exhibited by our carbon fiber composite molecular sieve (CFCMS).

  12. Enhanced Molecular Sieve CO2 Removal Evaluation

    NASA Technical Reports Server (NTRS)

    Rose, Susan; ElSherif, Dina; MacKnight, Allen

    1996-01-01

    The objective of this research is to quantitatively characterize the performance of two major types of molecular sieves for two-bed regenerative carbon dioxide removal at the conditions compatible with both a spacesuit and station application. One sorbent is a zeolite-based molecular sieve that has been substantially improved over the materials used in Skylab. The second sorbent is a recently developed carbon-based molecular sieve. Both molecular sieves offer the potential of high payoff for future manned missions by reducing system complexity, weight (including consumables), and power consumption in comparison with competing concepts. The research reported here provides the technical data required to improve CO2 removal systems for regenerative life support systems for future IVA and EVA missions.

  13. Synthesis of biological molecules on molecular sieves.

    PubMed

    Poncelet, G; Van Assche, A T; Fripiat, J J

    1975-07-01

    Catalytic properties of aluminosilicates may play a role in the synthesis of biological molecules from simple gaseous molecules commonly found in planetary atmospheres. Urea, amino acids and UV absorbing substances have been obtained by heating CO and NH3 with Linde molecular sieves saturated with Ca+2, NH4+ or Fe+3. The yields of amino acids produced have been determined by an amino acid analyzer. The quantity of urea produced largely depends on the nature of the saturating cation. Experiments using 14CO confirm that the amino acids are not due to contaminants adsorbed on the surface of the molecular sieves. PMID:171609

  14. Catalytic cracking catalysts using silicoaluminophosphate molecular sieves

    SciTech Connect

    Pellet, R.J.; Coughlin, P.K.; Staniulis, M.T.; Long, G.N.; Rabo, J.A.

    1987-05-19

    A cracking catalyst is described comprising: a silicoaluminophosphate molecular sieve of U.S. Pat. No. 4,440,871 characterized in its calcined form by an adsorption of isobutane of at least 2 percent by weight at a pressure of 500 torr and a temperature of 20/sup 0/C and having an effective amount of the cations associated with the silicoaluminophosphate molecular sieve selected from the group consisting of H+, ammonium, Group IIA, groups IIIB to VIIB, cerium, lanthanum, praseodymium, neodymium, and promethium.

  15. Controllable deformation of salt water-filled carbon nanotubes using an electric field with application to molecular sieving.

    PubMed

    Ye, Hongfei; Zheng, Yonggang; Zhang, Zhongqiang; Zhang, Hongwu; Chen, Zhen

    2016-08-01

    Precisely controlling the deformation of carbon nanotubes (CNTs) has practical application in the development of nanoscale functional devices, although it is a challenging task. Here, we propose a novel method to guide the deformation of CNTs through filling them with salt water and applying an electric field. With the electric field along the axial direction, the height of CNTs is enlarged by the axial electric force due to the internal ions and polar water molecules. Under an electric field with two mutually orthogonal components, the transverse electric force could further induce the bending deformation of CNTs. Based on the classical rod and beam theories, two mechanical models are constructed to verify and quantitatively describe the relationships between the tension and bending deformations of CNTs and the electric field intensity. Moreover, by means of the electric field-driven tension behavior of CNTs, we design a stretchable molecular sieve to control the flow rate of mixed gas and collect a single high-purity gas. The present work opens up new avenues in the design and fabrication of nanoscale controlling units. PMID:27335235

  16. Controllable deformation of salt water-filled carbon nanotubes using an electric field with application to molecular sieving

    NASA Astrophysics Data System (ADS)

    Ye, Hongfei; Zheng, Yonggang; Zhang, Zhongqiang; Zhang, Hongwu; Chen, Zhen

    2016-08-01

    Precisely controlling the deformation of carbon nanotubes (CNTs) has practical application in the development of nanoscale functional devices, although it is a challenging task. Here, we propose a novel method to guide the deformation of CNTs through filling them with salt water and applying an electric field. With the electric field along the axial direction, the height of CNTs is enlarged by the axial electric force due to the internal ions and polar water molecules. Under an electric field with two mutually orthogonal components, the transverse electric force could further induce the bending deformation of CNTs. Based on the classical rod and beam theories, two mechanical models are constructed to verify and quantitatively describe the relationships between the tension and bending deformations of CNTs and the electric field intensity. Moreover, by means of the electric field-driven tension behavior of CNTs, we design a stretchable molecular sieve to control the flow rate of mixed gas and collect a single high-purity gas. The present work opens up new avenues in the design and fabrication of nanoscale controlling units.

  17. Molecular sieving silica membrane fabrication process

    DOEpatents

    Raman, Narayan K.; Brinker, Charles Jeffrey

    1998-01-01

    A process for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film.

  18. Molecular sieving silica membrane fabrication process

    DOEpatents

    Raman, Narayan K.; Brinker, Charles Jeffrey

    1999-01-01

    A process for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film.

  19. Molecular sieving silica membrane fabrication process

    DOEpatents

    Raman, N.K.; Brinker, C.J.

    1999-08-10

    A process is described for producing a molecular sieve silica membrane comprising depositing a hybrid organic-inorganic polymer comprising at least one organic constituent and at least one inorganic constituent on a porous substrate material and removing at least a portion of the at least one organic constituent of the hybrid organic-inorganic polymer, forming a porous film. 11 figs.

  20. Defect-Controlled Preparation of UiO-66 Metal-Organic Framework Thin Films with Molecular Sieving Capability.

    PubMed

    Zhang, Caiqin; Zhao, Yajing; Li, Yali; Zhang, Xuetong; Chi, Lifeng; Lu, Guang

    2016-01-01

    Metal-organic framework (MOF) UiO-66 thin films are solvothermally grown on conducting substrates. The as-synthesized MOF thin films are subsequently dried by a supercritical process or treated with polydimethylsiloxane (PDMS). The obtained UiO-66 thin films show excellent molecular sieving capability as confirmed by the electrochemical studies for redox-active species with different sizes. PMID:26548455

  1. Coal-based carbons with molecular sieve properties

    SciTech Connect

    El-Wakil, A.M.; Youssef, A.M.; Tollan, K.A. )

    1991-01-01

    Carbon molecular sieves are used extensively in gas chromatography for the separation of permanent gases and light hydrocarbons. Carbon molecular sieves also find commercial application for the manufacture of pure hydrogen from hydrogen-rich gases such as coke-oven gas, and for the separation of air by the pressure-swing adsorption technique. The objective of this investigation was to prepare carbons from Maghara coal, recently available on the commercial market. Coal-based carbons, if they possess molecular sieve properties, are superior to molecular sieve carbons from agricultural by-products because they have more satisfactory mechanical properties.

  2. Adsorption of gases on carbon molecular sieves

    SciTech Connect

    Vyas, S.N.; Patwardhan, S.R.; Vijayalakshmi, S. . Dept. of Chemical Engineering); Ganesh, K.S. )

    1994-12-01

    Adsorption on carbon molecular sieves (CMS) prepared by coke deposition has become an interesting area of adsorption due to its microporous nature and favorable separation factor on size and shape selectivity basis for many gaseous systems. In the present work CMS was synthesized from coconut shell through three major steps, namely, carbonization, activation, and coke deposition by hydrocarbon cracking. The crushed, washed, and sieved granules of coconut shell (particle size 2--3 mm) were pretreated with sodium silicate solution and oven-dried at 150 C to create the inorganic sites necessary for coke deposition. Carbonization and activation of the dried granules were carried out at 800 C, for 30 min each. The activated char thus produced was subjected to hydrocarbon cracking at 600 C for periods varying from 30 to 180 min. The product samples were characterized in terms of adsorption isotherm, kinetic adsorption curve, surface area, pore volume, pore size distribution, and characteristic energy for adsorption by using O[sub 2], N[sub 2], C[sub 2]H[sub 2], CO[sub 2], C[sub 3]H[sub 6], and CH[sub 4].

  3. Octahedral molecular sieve sorbents and catalysts

    DOEpatents

    Li, Liyu [Richland, WA; King, David L [Richland, WA

    2010-04-20

    Octahedral molecular sieve sorbents and catalysts are disclosed, including silver hollandite and cryptomelane. These materials can be used, for example, to catalyze the oxidation of CO.sub.x (e.g., CO), NO.sub.x (e.g., NO), hydrocarbons (e.g., C.sub.3H.sub.6) and/or sulfur-containing compounds. The disclosed materials also may be used to catalyze other reactions, such as the reduction of NO.sub.2. In some cases, the disclosed materials are capable of sorbing certain products from the reactions they catalyze. Silver hollandite, in particular, can be used to remove a substantial portion of certain sulfur-containing compounds from a gas or liquid by catalysis and/or sorption. The gas or liquid can be, for example, natural gas or a liquid hydrocarbon.

  4. Silicotitanate molecular sieve and condensed phases

    DOEpatents

    Nenoff, Tina M.; Nyman, May D.

    2002-01-01

    A new microporous crystalline molecular sieve material having the formula Cs.sub.3 TiSi.sub.3 O.sub.95.cndot.3H.sub.2 O and its hydrothermally condensed phase, Cs.sub.2 TiSi.sub.6 O.sub.15, are disclosed. The microporous material can adsorb divalent ions of radionuclides or other industrial metals such as chromium, nickel, lead, copper, cobalt, zinc, cadmium, barium, and mercury, from aqueous or hydrocarbon solutions. The adsorbed metal ions can be leached out for recovery purposes or the microporous material can be hydrothermally condensed to a radiation resistant, structurally and chemically stable phase which can serve as a storage waste form for radionuclides.

  5. Copper crystallite in carbon molecular sieves for selective oxygen removal

    NASA Technical Reports Server (NTRS)

    Sharma, Pramod K. (Inventor); Seshan, Panchalam K. (Inventor)

    1993-01-01

    Carbon molecular sieves modified by the incorporation of finely divided elemental copper useful for the selective sorption of oxygen at elevated temperatures. The carbon molecular sieves can be regenerated by reduction with hydrogen. The copper modified carbon molecular sieves are prepared by pyrolysis of a mixture of a copper-containing material and polyfurfuryl alcohol to form a sorbent precursor. The sorbent precursors are then heated and reduced to produce copper modified carbon molecular sieves. The copper modified carbon molecular sieves are useful for sorption of all concentrations of oxygen at temperatures up to about 200.degree. C. They are also useful for removal of trace amount of oxygen from gases at temperatures up to about 600.degree. C.

  6. Copper modified carbon molecular sieves for selective oxygen removal

    NASA Technical Reports Server (NTRS)

    Sharma, Pramod K. (Inventor); Seshan, Panchalam K. (Inventor)

    1992-01-01

    Carbon molecular sieves modified by the incorporation of finely divided elemental copper useful for the selective sorption of oxygen at elevated temperatures. The carbon molecular sieves can be regenerated by reduction with hydrogen. The copper modified carbon molecular sieves are prepared by pyrolysis of a mixture of a copper-containing material and polyfunctional alcohol to form a sorbent precursor. The sorbent precursors are then heated and reduced to produce copper modified carbon molecular sieves. The copper modified carbon molecular sieves are useful for sorption of all concentrations of oxygen at temperatures up to about 200.degree. C. They are also useful for removal of trace amount of oxygen from gases at temperatures up to about 600.degree. C.

  7. 21 CFR 173.40 - Molecular sieve resins.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...) The molecular sieve resins consist of purified dextran having an average molecular weight of 40,000, cross-linked with epichlorohydrin in a ratio of 1 part of dextran to 10 parts of epichlorohydrin,...

  8. 21 CFR 173.40 - Molecular sieve resins.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ...) The molecular sieve resins consist of purified dextran having an average molecular weight of 40,000, cross-linked with epichlorohydrin in a ratio of 1 part of dextran to 10 parts of epichlorohydrin,...

  9. Porous Organic Cage Thin Films and Molecular-Sieving Membranes.

    PubMed

    Song, Qilei; Jiang, Shan; Hasell, Tom; Liu, Ming; Sun, Shijing; Cheetham, Anthony K; Sivaniah, Easan; Cooper, Andrew I

    2016-04-01

    Porous organic cage molecules are fabricated into thin films and molecular-sieving membranes. Cage molecules are solution cast on various substrates to form amorphous thin films, with the structures tuned by tailoring the cage chemistry and processing conditions. For the first time, uniform and pinhole-free microporous cage thin films are formed and demonstrated as molecular-sieving membranes for selective gas separation. PMID:26800019

  10. A 99 percent purity molecular sieve oxygen generator

    NASA Technical Reports Server (NTRS)

    Miller, G. W.

    1991-01-01

    Molecular sieve oxygen generating systems (MSOGS) have become the accepted method for the production of breathable oxygen on military aircraft. These systems separate oxygen for aircraft engine bleed air by application of pressure swing adsorption (PSA) technology. Oxygen is concentrated by preferential adsorption in nitrogen in a zeolite molecular sieve. However, the inability of current zeolite molecular sieves to discriminate between oxygen and argon results in an oxygen purity limitations of 93-95 percent (both oxygen and argon concentrate). The goal was to develop a new PSA process capable of exceeding the present oxygen purity limitations. A novel molecular sieve oxygen concentrator was developed which is capable of generating oxygen concentrations of up to 99.7 percent directly from air. The process is comprised of four absorbent beds, two containing a zeolite molecular sieve and two containing a carbon molecular sieve. This new process may find use in aircraft and medical breathing systems, and industrial air separation systems. The commercial potential of the process is currently being evaluated.

  11. Antibacterial mesoporous molecular sieves modified with polymeric N-halamine.

    PubMed

    Wang, Yingfeng; Li, Lin; Liu, Ying; Ren, Xuehong; Liang, Jie

    2016-12-01

    In this research, a new kind of porous N-halamine material with high antibacterial efficacies was prepared. Poly [5,5-dimethyl-3-(3'-triethoxysilylpropyl)-hydantoin] (PSPH), an N-halamine precursor, was synthesized and grafted onto the surface of mesoporous molecular sieves (SBA-15). The mesoporous molecular sieves modified with the N-halamine polymer could be rendered biocidal upon exposure to dilute household bleach. The modified mesoporous molecular sieves were characterized by SEM, TEM, FTIR, XPS, TGA, XRD and BET analysis. It was found that the PSPH has been successfully grafted on the surface of mesoporous molecular sieves, and the morphology and structure of the modified mesoporous molecular sieves were slightly affected. The N-halamine modified mesoporous molecular sieves showed excellent antibacterial property, and inactivated 100% of S. aureus and E. coli O157:H7 with 8.05 and 7.92 log reductions within 1min of contact, respectively. The modified SBA-15 with high-antibacterial efficiency has potential application in water treatment and biomaterials areas. PMID:27612805

  12. Molecular Sieve Bench Testing and Computer Modeling

    NASA Technical Reports Server (NTRS)

    Mohamadinejad, Habib; DaLee, Robert C.; Blackmon, James B.

    1995-01-01

    The design of an efficient four-bed molecular sieve (4BMS) CO2 removal system for the International Space Station depends on many mission parameters, such as duration, crew size, cost of power, volume, fluid interface properties, etc. A need for space vehicle CO2 removal system models capable of accurately performing extrapolated hardware predictions is inevitable due to the change of the parameters which influences the CO2 removal system capacity. The purpose is to investigate the mathematical techniques required for a model capable of accurate extrapolated performance predictions and to obtain test data required to estimate mass transfer coefficients and verify the computer model. Models have been developed to demonstrate that the finite difference technique can be successfully applied to sorbents and conditions used in spacecraft CO2 removal systems. The nonisothermal, axially dispersed, plug flow model with linear driving force for 5X sorbent and pore diffusion for silica gel are then applied to test data. A more complex model, a non-darcian model (two dimensional), has also been developed for simulation of the test data. This model takes into account the channeling effect on column breakthrough. Four FORTRAN computer programs are presented: a two-dimensional model of flow adsorption/desorption in a packed bed; a one-dimensional model of flow adsorption/desorption in a packed bed; a model of thermal vacuum desorption; and a model of a tri-sectional packed bed with two different sorbent materials. The programs are capable of simulating up to four gas constituents for each process, which can be increased with a few minor changes.

  13. Molecular Sieve Regeneration System for assaying HTO from detritiation systems

    SciTech Connect

    Nasise, J.E.; Anderson, J.L.; Naruse, Y.

    1992-07-01

    A Molecular Sieve Regeneration System (MSRS) is being added to the existing Tritium Waste Treatment system (TWT) within the Tritium Systems Test Assembly (TSTA) at the Los Alamos National Laboratory. This system is an upgrade to the TWT to provide accurate measurements of the liquid waste generated from this system. Within the TWT, hydrogen isotopes are removed from the effluent gas stream by the catalytic conversion to water and the subsequent removal of water by molecular sieve trapping prior to the release to the environment. Within the TWT and similar systems, molecular sieve regeneration is required to rejuvenate the beds. The major difference of the MSRS and other regeneration systems is the capability of direct assay of long-term storage waste containers. This is accomplished with loop-flow regeneration, water collection, and tritiated water assay by scintillation and calorimetric techniques. This paper describes the MSRS in detail and how it is interfaced with the Tritium Waste Treatment system.

  14. Molecular Sieve Regeneration System for assaying HTO from detritiation systems

    SciTech Connect

    Nasise, J.E.; Anderson, J.L. ); Naruse, Y. )

    1992-01-01

    A Molecular Sieve Regeneration System (MSRS) is being added to the existing Tritium Waste Treatment system (TWT) within the Tritium Systems Test Assembly (TSTA) at the Los Alamos National Laboratory. This system is an upgrade to the TWT to provide accurate measurements of the liquid waste generated from this system. Within the TWT, hydrogen isotopes are removed from the effluent gas stream by the catalytic conversion to water and the subsequent removal of water by molecular sieve trapping prior to the release to the environment. Within the TWT and similar systems, molecular sieve regeneration is required to rejuvenate the beds. The major difference of the MSRS and other regeneration systems is the capability of direct assay of long-term storage waste containers. This is accomplished with loop-flow regeneration, water collection, and tritiated water assay by scintillation and calorimetric techniques. This paper describes the MSRS in detail and how it is interfaced with the Tritium Waste Treatment system.

  15. Carbon molecular sieves for air separation from Nomex aramid fibers.

    PubMed

    Villar-Rodil, Silvia; Martínez-Alonso, Amelia; Tascón, Juan M D

    2002-10-15

    Activated carbon fibers prepared from aramid fibers have proved to possess outstanding homogeneity in pore size, most of all when Nomex aramid fiber is used as precursor. Taking advantage of this feature, microporous carbon molecular sieves for air separation have been prepared through carbon vapor deposition of benzene on Nomex-derived carbon fibers activated to two different burnoff degrees. Carbon molecular sieves with good selectivity for this separation and showing acceptable adsorption capacities were obtained from ACFs activated to the two burnoff degrees chosen. PMID:12702417

  16. Double rotation NMR studies of zeolites and aluminophosphate molecular sieves

    SciTech Connect

    Jelinek, R. |

    1993-07-01

    Goal is to study the organization and structures of guest atoms and molecules and their reactions on internal surfaces within pores of zeolites and aluminophosphate molecular sieves. {sup 27}Al and {sup 23}Na double rotation NMR (DOR) is used since it removes the anisotropic broadening in NMR spectra of quadrupolar nuclei, thus increasing resolution. This work concentrates on probing aluminum framework atoms in aluminophosphate molecular sieves and sodium extra framework cations in porous aluminosilicates. In aluminophosphates, ordering and electronic environments of the framework {sup 27}Al nuclei are modified upon adsorption of water molecules within the channels; a relation is sought between the sieve channel topology and the organization of adsorbed water, as well as the interaction between the Al nuclei and the water molecules. Extra framework Na{sup +} cations are directly involved in adsorption processes and reactions in zeolite cavities.

  17. Decolorization / deodorization of zein via activated carbons and molecular sieves

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The objective is to evaluate a series of granular media consisting of activated carbons and molecular sieves in a batch process for the purpose of clarifying and removal of color and odor components from yellow zein dispersed in an aqueous alcohol medium. The major contributors of yellow zein is du...

  18. 21 CFR 173.40 - Molecular sieve resins.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... gram of dry resin (expressed in terms of water regain), and a particle size of 10 to 300 microns. (b) The molecular sieve resins are thoroughly washed with potable water prior to their first use in... purification of partially delactosed whey. The gel bed shall be maintained in a sanitary manner in...

  19. Molecular Sieves: Porous Organic Cage Thin Films and Molecular-Sieving Membranes (Adv. Mater. 13/2016).

    PubMed

    Song, Qilei; Jiang, Shan; Hasell, Tom; Liu, Ming; Sun, Shijing; Cheetham, Anthony K; Sivaniah, Easan; Cooper, Andrew I

    2016-04-01

    Porous organic cage molecules are a new class of molecular materials that combine microporosity and solution-processability. On page 2629, E. Sivaniah, A. I. Cooper, and co-workers demonstrate solution processing of cage molecules into thin films with tunable structures. For the first time, cage molecules are fabricated into continuous and pinhole-free microporous molecular-sieving membranes, as confirmed by selective gas transport in terms of high permeance and molecular selectivity. Image credit: Adam Kewley. PMID:27037946

  20. Update on N2O4 Molecular Sieving with 3A Material at NASA/KSC

    NASA Technical Reports Server (NTRS)

    Davis, Chuck; Dorn, Claudia

    2000-01-01

    During its operational life, the Shuttle Program has experienced numerous failures in the Nitrogen Tetroxide (N2O4) portion of Reaction Control System (RCS), many of which were attributed to iron-nitrate contamination. Since the mid-1980's, N2O4 has been processed through a molecular sieve at the N2O4 manufacturer's facility which results in an iron content typically less than 0.5 parts-per-million-by-weight (ppmw). In February 1995, a Tiger Team was formed to attempt to resolve the iron nitrate problem. Eighteen specific actions were recommended as possibly reducing system failures. Those recommended actions include additional N2O4 molecular sieving at the Shuttle launch site. Testing at NASA White Sands Test Facility (WSTF) determined an alternative molecular sieve material could also reduce the water-equivalent content (free water and HNO3) and thereby further reduce the natural production of iron nitrate in N2O4 while stored in iron-alloy storage tanks. Since April '96, NASA Kennedy Space Center (KSC) has been processing N2O4 through the alternative molecular sieve material prior to delivery to Shuttle launch pad N2O4 storage tanks. A new, much larger capacity molecular sieve unit has also been used. This paper will evaluate the effectiveness of N2O4 molecular sieving on a large-scale basis and attempt to determine if the resultant lower-iron and lower-water content N2O4 maintains this new purity level in pad storage tanks and shuttle flight systems.

  1. Carbon fiber composite molecular sieve electrically regenerable air filter media

    DOEpatents

    Wilson, Kirk A.; Burchell, Timothy D.; Judkins, Roddie R.

    1998-01-01

    An electrically regenerable gas filter system includes a carbon fiber composite molecular sieve (CFCMS) filter medium. After a separate medium-efficiency pre-filter removes particulate from the supply airstream, the CFCMS filter sorbs gaseous air pollutants before the air is recirculated to the space. When saturated, the CFCMS media is regenerated utilizing a low-voltage current that is caused to pass through the filter medium.

  2. Carbon fiber composite molecular sieve electrically regenerable air filter media

    DOEpatents

    Wilson, K.A.; Burchell, T.D.; Judkins, R.R.

    1998-10-27

    An electrically regenerable gas filter system includes a carbon fiber composite molecular sieve (CFCMS) filter medium. After a separate medium-efficiency pre-filter removes particulate from the supply air stream, the CFCMS filter sorbs gaseous air pollutants before the air is recirculated to the space. When saturated, the CFCMS media is regenerated utilizing a low-voltage current that is caused to pass through the filter medium. 3 figs.

  3. NMR of small solutes in liquid crystals and molecular sieves

    NASA Astrophysics Data System (ADS)

    Ylihautala, Mika Petri

    The present thesis deals with the nuclear magnetic resonance (NMR) spectroscopy of small solutes applied to the studies of liquid crystals and molecular sieves. In this method, changes induced by the investigated environment to the static spectral parameters (i.e. nuclear shielding, indirect and direct spin-spin coupling and quadrupole coupling) of the solute are measured. The nuclear shielding of dissolved noble gases is utilized for the studies of thermotropic liquid crystals. The relation between the symmetry properties of mesophases and the nuclear shielding is described. The different interaction mechanisms perturbing the observed noble gas nuclear shielding are discussed, particularly, the role of long-range attractive van der Waals interactions is brought out. The suitability of the noble gas NMR spectroscopy to the studies of Iyotropic liquid crystals is investigated in terms of nuclear shielding and quadrupole coupling interactions. In molecular sieve systems, the effect of inter- and intracrystalline motions of solutes on their NMR spectra is discussed. A novel method for the measurement of the intracrystalline motions is developed. The distinctions in the 13C shielding of methane adsorbed in AlPO4-11 and SAPO-11, two structurally similar molecular sieves differing in composition, are indicated.

  4. Evaluation of Strontium Selectivity by Sandia Octahedral Molecular Sieves (SOMS).

    SciTech Connect

    Rigali, Mark J.; Stewart, Thomas Austin

    2016-01-01

    Sandia National Laboratories has collaborated with Pleasanton Ridge Research Company (PRRC) to determine whether Sandia Octahedral Molecular Sieves (SOMS) and modified SOMs materials can be synthesized in large batches and produced in granular form. Sandia National Laboratories tested these SOMS and its variants based in aqueous chemical environments for an application-based evaluation of material performance as a sorbent. Testing focused primarily on determining the distribution coefficients (K d ) and chemical selectivity SOMs for alkali earth (Sr) ions in aqueous and dilute seawater solutions. In general the well-crystallized SOMS materials tested exhibited very high K d values (>10 6 ) in distilled water but K d values dropped substantially (%7E10 2 -10 3 ) in the dilute seawater (3%). However, one set of SOMS samples (1.4.2 and 1.4.6) provided by PRRC yielded relatively high K d (approaching 10 4 ) in dilute seawater. Further examination of these samples by scanning electron microscopy (SEM) revealed the presence of at least two phases at least one of which may be accounting for the improved K d values in dilute seawater. Evaluation of Strontium Selectivity by Sandia Octahedral Molecular Sieves (SOMS) January 20, 2016

  5. Method of recovering adsorbed liquid compounds from molecular sieve columns

    DOEpatents

    Burkholder, Harvey R.; Fanslow, Glenn E.

    1983-01-01

    Molecularly adsorbed volatile liquid compounds are recovered from molecular sieve adsorbent columns by directionally applying microwave energy to the bed of the adsorbent to produce a mixed liquid-gas effluent. The gas portion of the effluent generates pressure within the bed to promote the discharge of the effluent from the column bottoms. Preferably the discharged liquid-gas effluent is collected in two to three separate fractions, the second or intermediate fraction having a substantially higher concentration of the desorbed compound than the first or third fractions. The desorption does not need to be assisted by passing a carrier gas through the bed or by applying reduced pressure to the outlet from the bed.

  6. Method of recovering adsorbed liquid compounds from molecular sieve columns

    DOEpatents

    Burkholder, H.R.; Fanslow, G.E.

    1983-12-20

    Molecularly adsorbed volatile liquid compounds are recovered from molecular sieve adsorbent columns by directionally applying microwave energy to the bed of the adsorbent to produce a mixed liquid-gas effluent. The gas portion of the effluent generates pressure within the bed to promote the discharge of the effluent from the column bottoms. Preferably the discharged liquid-gas effluent is collected in two to three separate fractions, the second or intermediate fraction having a substantially higher concentration of the desorbed compound than the first or third fractions. The desorption does not need to be assisted by passing a carrier gas through the bed or by applying reduced pressure to the outlet from the bed. 8 figs.

  7. Carbon dioxide sorption in a nanoporous octahedral molecular sieve

    NASA Astrophysics Data System (ADS)

    Williamson, Izaak; Nelson, Eric B.; Li, Lan

    2015-08-01

    We have performed first-principles density functional theory calculations, incorporated with van der Waals interactions, to study CO2 adsorption and diffusion in nanoporous solid—OMS-2 (Octahedral Molecular Sieve). We found the charge, type, and mobility of a cation, accommodated in a porous OMS-2 material for structural stability, can affect not only the OMS-2 structural features but also CO2 sorption performance. This paper targets K+, Na+, and Ba2+ cations. First-principles energetics and electronic structure calculations indicate that Ba2+ has the strongest interaction with the OMS-2 porous surface due to valence electrons donation to the OMS-2 and molecular orbital hybridization. However, the Ba-doped OMS-2 has the worst CO2 uptake capacity. We also found evidence of sorption hysteresis in the K- and Na-doped OMS-2 materials.

  8. Transformation of metal-organic frameworks for molecular sieving membranes.

    PubMed

    Li, Wanbin; Zhang, Yufan; Zhang, Congyang; Meng, Qin; Xu, Zehai; Su, Pengcheng; Li, Qingbiao; Shen, Chong; Fan, Zheng; Qin, Lei; Zhang, Guoliang

    2016-01-01

    The development of simple, versatile strategies for the synthesis of metal-organic framework (MOF)-derived membranes are of increasing scientific interest, but challenges exist in understanding suitable fabrication mechanisms. Here we report a route for the complete transformation of a series of MOF membranes and particles, based on multivalent cation substitution. Through our approach, the effective pore size can be reduced through the immobilization of metal salt residues in the cavities, and appropriate MOF crystal facets can be exposed, to achieve competitive molecular sieving capabilities. The method can also be used more generally for the synthesis of a variety of MOF membranes and particles. Importantly, we design and synthesize promising MOF membranes candidates that are hard to achieve through conventional methods. For example, our CuBTC/MIL-100 membrane exhibits 89, 171, 241 and 336 times higher H2 permeance than that of CO2, O2, N2 and CH4, respectively. PMID:27090597

  9. Transformation of metal-organic frameworks for molecular sieving membranes

    PubMed Central

    Li, Wanbin; Zhang, Yufan; Zhang, Congyang; Meng, Qin; Xu, Zehai; Su, Pengcheng; Li, Qingbiao; Shen, Chong; Fan, Zheng; Qin, Lei; Zhang, Guoliang

    2016-01-01

    The development of simple, versatile strategies for the synthesis of metal-organic framework (MOF)-derived membranes are of increasing scientific interest, but challenges exist in understanding suitable fabrication mechanisms. Here we report a route for the complete transformation of a series of MOF membranes and particles, based on multivalent cation substitution. Through our approach, the effective pore size can be reduced through the immobilization of metal salt residues in the cavities, and appropriate MOF crystal facets can be exposed, to achieve competitive molecular sieving capabilities. The method can also be used more generally for the synthesis of a variety of MOF membranes and particles. Importantly, we design and synthesize promising MOF membranes candidates that are hard to achieve through conventional methods. For example, our CuBTC/MIL-100 membrane exhibits 89, 171, 241 and 336 times higher H2 permeance than that of CO2, O2, N2 and CH4, respectively. PMID:27090597

  10. Transformation of metal-organic frameworks for molecular sieving membranes

    NASA Astrophysics Data System (ADS)

    Li, Wanbin; Zhang, Yufan; Zhang, Congyang; Meng, Qin; Xu, Zehai; Su, Pengcheng; Li, Qingbiao; Shen, Chong; Fan, Zheng; Qin, Lei; Zhang, Guoliang

    2016-04-01

    The development of simple, versatile strategies for the synthesis of metal-organic framework (MOF)-derived membranes are of increasing scientific interest, but challenges exist in understanding suitable fabrication mechanisms. Here we report a route for the complete transformation of a series of MOF membranes and particles, based on multivalent cation substitution. Through our approach, the effective pore size can be reduced through the immobilization of metal salt residues in the cavities, and appropriate MOF crystal facets can be exposed, to achieve competitive molecular sieving capabilities. The method can also be used more generally for the synthesis of a variety of MOF membranes and particles. Importantly, we design and synthesize promising MOF membranes candidates that are hard to achieve through conventional methods. For example, our CuBTC/MIL-100 membrane exhibits 89, 171, 241 and 336 times higher H2 permeance than that of CO2, O2, N2 and CH4, respectively.

  11. Design Through Simulation of a Molecular Sieve Column for Treatment of MON-3

    NASA Technical Reports Server (NTRS)

    Swartz, A. Ben; Wilson, D. B.

    1999-01-01

    The presence of water in propellant-grade MON-3 is a concern in the Aerospace Industry. NASA Johnson Space Center (JSC), White Sands Test Facility (WSTF) Propulsion Department has evaluated many types of molecular sieves for control of iron, the corrosion product of water in Mixed Oxides of Nitrogen (MON-3). In 1995, WSTF initiated laboratory and pilot-scale testing of molecular sieve type 3A for removal of water and iron. These tests showed sufficient promise that a series of continuous recycle tests were conducted at WSTF. Periodic samples of the circulating MON-3 solution were analyzed for water (wt %) and iron (ppm, wt). This test column was modeled as a series of transfer units; i. e., each unit represented the height equivalent of a theoretical plate. Such a model assumes there is equilibrium between the adsorbent material and the effluent stream from the unit. Operational and design parameters were derived based on the simulation results. These parameters were used to predict the design characteristics of a proposed molecular sieve column for removal of water and iron from MON-3 at the NASA Kennedy Space Center (KSC). In addition, these parameters were used to simulate a small, single-pass operation column at KSC currently used for treating MON-3. The results of this work indicated that molecular sieve type 3A in 1/16 in. diameter pellets, in a column 2.5 ft. in diameter, 18 ft. in height, and operated at 25 gpm is adequate for the required removal of water and iron from MON-3.

  12. Use of Carbon Fiber Composite Molecular Sieves for Air Separation

    SciTech Connect

    Baker, Frederick S; Contescu, Cristian I; Gallego, Nidia C; Burchell, Timothy D

    2005-09-01

    A novel adsorbent material, 'carbon fiber composite molecular sieve' (CFCMS), has been developed by the Oak Ridge National Laboratory. Its features include high surface area, large pore volume, and a rigid, permeable carbon structure that exhibits significant electrical conductivity. The unique combination of high adsorptive capacity, permeability, good mechanical properties, and electrical conductivity represents an enabling technology for the development of novel gas separation and purification systems. In this context, it is proposed that a fast-cycle air separation process that exploits a kinetic separation of oxygen and nitrogen should be possible using a CFCMS material coupled with electrical swing adsorption (ESA). The adsorption of O{sub 2}, N{sub 2}, and CO{sub 2} on activated carbon fibers was investigated using static and dynamic techniques. Molecular sieving effects in the activated carbon fiber were highlighted by the adsorption of CO{sub 2}, a more sensitive probe molecule for the presence of microporosity in adsorbents. The kinetic studies revealed that O2 was more rapidly adsorbed on the carbon fiber than N{sub 2}, and with higher uptake under equilibrium conditions, providing the fiber contained a high proportion of very narrow micropores. The work indicated that CFCMS is capable of separating O{sub 2} and N{sub 2} from air on the basis of the different diffusion rates of the two molecules in the micropore network of the activated carbon fibers comprising the composite material. In response to recent enquires from several potential users of CFCMS materials, attention has been given to the development of a viable continuous process for the commercial production of CFCMS material. As part of this effort, work was implemented on characterizing the performance of lignin-based activated carbon fiber, a potentially lower cost fiber than the pitch-based fibers used for CFCMS production to date. Similarly, to address engineering issues, measurements were

  13. Fringe field NMR diffusometry of anomalous self-diffusion in molecular sieves

    NASA Astrophysics Data System (ADS)

    Ylihautala, Mika; Jokisaari, Jukka; Fischer, Elmar; Kimmich, Rainer

    1998-06-01

    Superconducting magnet fringe field NMR diffusometry is applied to an adsorbate-molecular sieve system in order to obtain intracrystalline self-diffusion of adsorbed molecules. Effects of self-diffusion, exchange, relaxation, and dipolar correlation are discussed. The proper equations for one- and two-dimensional anomalous self-diffusion with and without macroscopic order are derived. The method is applied to investigate methane self-diffusion in the molecular sieve silicoaluminophosphate, type 11 (SAPO-11). It is concluded that the nature of the methane displacements in the sieve channels is single-file self-diffusion.

  14. Isotherms for Water Adsorption on Molecular Sieve 3A: Influence of Cation Composition

    DOE PAGESBeta

    Lin, Ronghong; Ladshaw, Austin; Nan, Yue; Liu, Jiuxu; Yiacoumi, Sotira; Tsouris, Costas; DePaoli, David W.; Tavlarides, Lawrence L.

    2015-06-16

    This study is part of our continuing efforts to address engineering issues related to the removal of tritiated water from off-gases produced in used nuclear fuel reprocessing facilities. In the current study, adsorption equilibrium of water on molecular sieve 3A beads was investigated. Adsorption isotherms for water on the UOP molecular sieve 3A were measured by a continuous-flow adsorption system at 298, 313, 333, and 353 K. Experimental data collected were analyzed by the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm model. The K+/Na+ molar ratio of this particular type of molecular sieve 3A was ~4:6. Our results showed that themore » GSTA isotherm model worked very well to describe the equilibrium behavior of water adsorption on molecular sieve 3A. The optimum number of parameters for the current experimental data was determined to be a set of four equilibrium parameters. This result suggests that the adsorbent crystals contain four energetically distinct adsorption sites. In addition, it was found that water adsorption on molecular sieve 3A follows a three-stage adsorption process. This three-stage adsorption process confirmed different water adsorption sites in molecular sieve crystals. In addition, the second adsorption stage is significantly affected by the K+/Na+ molar ratio. In this stage, the equilibrium adsorption capacity at a given water vapor pressure increases as the K+/Na+ molar ratio increases.« less

  15. Isotherms for Water Adsorption on Molecular Sieve 3A: Influence of Cation Composition

    SciTech Connect

    Lin, Ronghong; Ladshaw, Austin; Nan, Yue; Liu, Jiuxu; Yiacoumi, Sotira; Tsouris, Costas; DePaoli, David W.; Tavlarides, Lawrence L.

    2015-06-16

    This study is part of our continuing efforts to address engineering issues related to the removal of tritiated water from off-gases produced in used nuclear fuel reprocessing facilities. In the current study, adsorption equilibrium of water on molecular sieve 3A beads was investigated. Adsorption isotherms for water on the UOP molecular sieve 3A were measured by a continuous-flow adsorption system at 298, 313, 333, and 353 K. Experimental data collected were analyzed by the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm model. The K+/Na+ molar ratio of this particular type of molecular sieve 3A was ~4:6. Our results showed that the GSTA isotherm model worked very well to describe the equilibrium behavior of water adsorption on molecular sieve 3A. The optimum number of parameters for the current experimental data was determined to be a set of four equilibrium parameters. This result suggests that the adsorbent crystals contain four energetically distinct adsorption sites. In addition, it was found that water adsorption on molecular sieve 3A follows a three-stage adsorption process. This three-stage adsorption process confirmed different water adsorption sites in molecular sieve crystals. In addition, the second adsorption stage is significantly affected by the K+/Na+ molar ratio. In this stage, the equilibrium adsorption capacity at a given water vapor pressure increases as the K+/Na+ molar ratio increases.

  16. Titanium modified {beta} and MCM-41 molecular sieves K

    SciTech Connect

    Reddy, K.M.; Reddy, J.S.; Dicko, A.

    1995-12-01

    Ti modified large Pore {beta} zeolite and mesoporous MCM-41 molecular sieve were synthesized using hydrothermal procedures. Several other Ti-{beta} zeolites were prepared by treating a {beta} zeolite (Si/Al = 100) with ammonium titanyl oxalate solution. All samples were characterized by atomic absorption, XRD, IR, UV-Vis, Raman and XPS. The presence of tetrahedral Ti was evidenced particularly by the presence of a 212 nm absorption band in the UV-Vis spectra and a Ti(2p{sub 3/2}) binding energy of 459.5 eV. All samples were tested for the hydroxylation of hexane, benzene and phenol, and also for the epoxidation of 1-hexene. High catalytic activity was found only for the epoxidation reaction. Previous reports showed that, contrary to TS-1 and TS-2 zeolites, Ti modified {beta} (M.E. Davis et al. Prepr. Div. Petrol. Chem. 1993, p.769) and ZSM-48 (A. Sayari et at Catal. Lett. 23 (1994) 175) zeolites are poor hydroxylation catalysts in the presence of H{sub 2}O{sub 2}. In a paper devoted to Ti-MCM-41, Corma et al. (Chem. Commun. 1994, 147) reported only on the 1-hexene epoxidation. However, in the presence of excess H{sub 2}O{sub 2}, Pinnavaia et al. (Nature 368 (1994) 321) found that Ti-MCM-41 exhibits significant catalytic activity in the hydroxylation of benzene and substituted phenol. This behavior may indicate that in TS-1 and TS-2, Ti has a different local environment.

  17. A systematic investigation of the preparation and properties of composite carbon molecular sieves containing inorganic oxides

    NASA Technical Reports Server (NTRS)

    Foley, Henry C.

    1990-01-01

    The objective of this research is to define the methodology for the preparation and characterization of new carbon-based molecular sieves with composite structures. Carbon molecular sieves have found increasing application in the field of separation and purification of gases. These materials are relatively easy to prepare and their surfaces can be modified to some extent. It is expected that by combining inorganic oxides with the carbonaceous structure one can begin to design composite materials with a wider range of possible chemical and physical properties. In this way, the IOM-CMS materials may confer distinct advantages over pure carbon molecular sieves, not just for separation, but also for catalysis. The most recent results in the design and characterization of these IOM-CMS materials are reviewed and summarized. Directions for further research are also presented.

  18. In-situ preparation of functionalized molecular sieve material and a methodology to remove template

    PubMed Central

    Yadav, Rekha; Ahmed, Maqsood; Singh, Arvind Kumar; Sakthivel, Ayyamperumal

    2016-01-01

    A series of diaminosilane-functionalized silicoaluminophosphate molecular sieve (SAPO-37) was prepared by in-situ synthesis, and a novel method was developed for the selective removal of structure directing agent (SDA)/template from the functionalized SAPO-37.The complete removal of the SDA was evident according to FT-IR, TGA, 13C MAS-NMR and elemental analysis. The developed method was found to be efficient for removal of template from microporous molecular sieve viz., SAPO-37 and can be applied for other microporous molecular sieves such as SAPO-5, SAPO-40, etc. The powder XRD pattern of the template-removed samples showed a highly crystalline SAPO-37 phase. Argentometric titration revealed that more than 90% of diamine functionality exposed on the surface was accessible for catalytic applications. The resultant materials showed promising activity for ring opening of epoxide with aniline to yield β-amino-alcohol. PMID:26960707

  19. In-situ preparation of functionalized molecular sieve material and a methodology to remove template.

    PubMed

    Yadav, Rekha; Ahmed, Maqsood; Singh, Arvind Kumar; Sakthivel, Ayyamperumal

    2016-01-01

    A series of diaminosilane-functionalized silicoaluminophosphate molecular sieve (SAPO-37) was prepared by in-situ synthesis, and a novel method was developed for the selective removal of structure directing agent (SDA)/template from the functionalized SAPO-37.The complete removal of the SDA was evident according to FT-IR, TGA, (13)C MAS-NMR and elemental analysis. The developed method was found to be efficient for removal of template from microporous molecular sieve viz., SAPO-37 and can be applied for other microporous molecular sieves such as SAPO-5, SAPO-40, etc. The powder XRD pattern of the template-removed samples showed a highly crystalline SAPO-37 phase. Argentometric titration revealed that more than 90% of diamine functionality exposed on the surface was accessible for catalytic applications. The resultant materials showed promising activity for ring opening of epoxide with aniline to yield β-amino-alcohol. PMID:26960707

  20. In-situ preparation of functionalized molecular sieve material and a methodology to remove template

    NASA Astrophysics Data System (ADS)

    Yadav, Rekha; Ahmed, Maqsood; Singh, Arvind Kumar; Sakthivel, Ayyamperumal

    2016-03-01

    A series of diaminosilane-functionalized silicoaluminophosphate molecular sieve (SAPO-37) was prepared by in-situ synthesis, and a novel method was developed for the selective removal of structure directing agent (SDA)/template from the functionalized SAPO-37.The complete removal of the SDA was evident according to FT-IR, TGA, 13C MAS-NMR and elemental analysis. The developed method was found to be efficient for removal of template from microporous molecular sieve viz., SAPO-37 and can be applied for other microporous molecular sieves such as SAPO-5, SAPO-40, etc. The powder XRD pattern of the template-removed samples showed a highly crystalline SAPO-37 phase. Argentometric titration revealed that more than 90% of diamine functionality exposed on the surface was accessible for catalytic applications. The resultant materials showed promising activity for ring opening of epoxide with aniline to yield β-amino-alcohol.

  1. Application of 3A molecular sieve layer in dye-sensitized solar cells

    SciTech Connect

    Yan, Yuan; Wang, Jinzhong E-mail: qingjiang.yu@hit.edu.cn; Yu, Qingjiang E-mail: qingjiang.yu@hit.edu.cn; Huang, Yuewu; Chang, Quanhong; Hao, Chunlei; Jiao, Shujie; Gao, Shiyong; Li, Hongtao; Wang, Dongbo

    2014-08-25

    3A molecular sieve layer was used as dehydration and electronic-insulation layer on the TiO{sub 2} electrode of dye-sensitized solar cells. This layer diminished the effect of water in electrolyte efficiently and enhanced the performance of cells. The conversion efficiency increased from 9.58% to 10.2%. The good moisture resistance of cells was attributed to the three-dimensional interconnecting structure of 3A molecular sieve with strong adsorption of water molecule. While the performance enhancement benefited from the suppression of the charge recombination of electronic-insulation layer and scattering effect of large particles.

  2. Overtone and combination tone bands in the DRIFT spectra of molecular sieves

    NASA Astrophysics Data System (ADS)

    Peuker, Ch.; Splett, Ch.

    1993-03-01

    The DRIFT spectra of molecular sieves of type A, X, ZSM-5 and SAPO are measured. It is demonstrated that in some cases the overtone and combination tone bands of the lattice vibrations may be used for characterizing the structure of molecular sieves. For instance crystal phase transition due to thermal or hydrothermal treatment, can easily be studied in the region between 2500 and 1500 cm -1. In general the variations in the spectra of the samples due to structural distortion are less significant in the overtone and combination tone bands than in fundamental ones.

  3. CTR Fuel recovery system using regeneration of a molecular sieve drying bed

    DOEpatents

    Folkers, Charles L.

    1981-01-01

    A primary molecular sieve drying bed is regenerated by circulating a hot inert gas through the heated primary bed to desorb water held on the bed. The inert gas plus water vapor is then cooled and passed through an auxiliary molecular sieve bed which adsorbs the water originally desorbed from the primary bed. The main advantage of the regeneration technique is that the partial pressure of water can be reduced to the 10.sup.-9 atm. range. This is significant in certain CTR applications where tritiated water (T.sub.2 O, HTO) must be collected and kept at very low partial pressure.

  4. Development of design information for molecular-sieve type regenerative CO2-removal systems

    NASA Technical Reports Server (NTRS)

    Wright, R. M.; Ruder, J. M.; Dunn, V. B.; Hwang, K. C.

    1973-01-01

    Experimental and analytic studies were conducted with molecular sieve sorbents to provide basic design information, and to develop a system design technique for regenerable CO2-removal systems for manned spacecraft. Single sorbate equilibrium data were obtained over a wide range of conditions for CO2, water, nitrogen, and oxygen on several molecular sieve and silica gel sorbents. The coadsorption of CO2 with water preloads, and with oxygen and nitrogen was experimentally evaluated. Mass-transfer, and some limited heat-transfer performance evaluations were accomplished under representative operating conditions, including the coadsorption of CO2 and water. CO2-removal system performance prediction capability was derived.

  5. Characterization of Se-loaded molecular sieves A, X, Y, AlPO-5, and mordenite

    SciTech Connect

    Parise, J.B.; MacDougall, J.E.; Herron, N.; Farlee, R.; Sleight, A.W.; Ying Wang; Bein, T.; Moller, K.; Moroney, L.M.

    1988-01-27

    Selenium has been successfully loaded into molecular sieves A, X, Y, AlPO-5, and mordenite, and the products were characterized by using EXAFS, solid-state NMR, and diffuse-reflectance techniques. This study reveals selenium is predominantly of the trigonal (helical chains) form in all but the A sample, where only the Se/sub 8/-crown ring form is found. A mixture of allotropes and helical chains occupy the large 3D-pore and channel systems of molecular sieves X and Y; however, a single, probably fixed-pitch helical-chain allotrope occupies the more constrained 12-membered-ring channels found in mordenite and AlPO-5. The high degree of order in these last two sieves is reflected in a strong second-shell feature in the EXAFS spectra. 22 refs., 12 figs., 3 tabs.

  6. [Preparation and evaluation of novel mesoporous molecular sieve of baicalin surface molecularly imprinted polymers].

    PubMed

    Gu, Xia-li; He, Hong-liang; Shi, Li-ying; Gao, Yan-kun; Chen, Li-na

    2015-05-01

    Taking mesoporous molecular sieve MCM-41 as a substrate, baicalin (BA) as template, acrylamide (AM) as the functional monomer, ethylene glycol dimethacrylate (EGDMA) as a cross-linking agent, ethanol as solvent, under thermal polymerization initiator of azobis isobutyronitrilo (AIBN) , a kind of selective recognition of baicalin surface molecularly imprinted polymer was synthesized. The surface morphologies and characteristics of the MIPs were characterized by infrared spectroscopy (IR) and transmission electron microscope (TEM). The adsorption properties of polymer microsphere for the template were tested by the dynamic adsorption equilibrium experiments and static adsorption equilibrium experiments. The experiment showed that the imprinting process was successfully and the well-ordered one-dimensional pore structure of MCM-41 was still preserved. Furthermore, molecularly imprinted polymers had higher selective ability for BA, then provided a new method for the efficient separation and enrichment of baicalin active ingredients from medicinal plants Scutellaria baicalensis. PMID:26323135

  7. Drying R-407C and R-410A refrigerant blends with molecular sieve desiccants

    SciTech Connect

    Cohen, A.P.; Tucker, D.M.

    1998-10-01

    The hydrofluorocarbon (HFC) R-32 (CF{sub 2}H{sub 2}) is a component of refrigerant blends in the 407 and 410 series being tested and commercialized for use as replacements for R-502 and the hydrochlorofluorocarbon (HCFC) R-22. The molecular sieve desiccants used with chlorofluorocarbon (CFC) and HCFC mineral oil systems in the past have achieved high water capacity by excluding the refrigerant and adsorbing only the water. Unfortunately, R-32 is adsorbed on commercial type 3A molecular sieve desiccant products. The result of this adsorption is a loss of water capacity when drying R-32 compared to drying R-22 or R-502 and a reduced level of chemical compatibility of the desiccant with the refrigerant. Some compressor manufacturers are seeking a water concentration as low as 10 mg/kg (ppm[wt]) in the circulating refrigerant of polyolester-lubricated refrigerating equipment using these HFC blends. This paper compares unmodified commercial type 3A molecular sieve desiccants with a recently developed, modified 3A molecular sieve that excludes R-32. The modified 3A has better chemical compatibility with R-32 and high water capacity in liquid R-407C and R-410A. The drying rates of the two desiccants in R-407C and R-410A are similar. Data and test methods are reported on refrigerant adsorption, water capacity, drying rate, and chemical compatibility.

  8. A reconstruction strategy to synthesize mesoporous SAPO molecular sieve single crystals with high MTO catalytic activity.

    PubMed

    Wang, Chan; Yang, Miao; Li, Mingrun; Xu, Shutao; Yang, Yue; Tian, Peng; Liu, Zhongmin

    2016-05-11

    Mesoporous SAPO-34 single crystals with tunable porosity and Si content have been fast synthesized within 4 hours by a reconstruction strategy, which show excellent hydrothermal stability and MTO catalytic activity. This new strategy is further proven to be applicable to prepare other mesoporous SAPO molecular sieve single crystals. PMID:27101359

  9. Molecular sieve generation of aviator's oxygen: Performance of a prototype system under simulated flight conditions.

    PubMed

    Miller, R L; Ikels, K G; Lamb, M J; Boscola, E J; Ferguson, R H

    1980-07-01

    The molecular sieve method of generating an enriched-oxygen breathing gas is one of several candidate onboard oxygen generation (OBOG) systems under joint Army-Navy-Air Force development for application in tactical aircraft. The performance of a nominal two-man-capacity molecular sieve oxygen generation system was characterized under simulated flight conditions. Data are given on the composition of the molecular sieve-generated breathing gas (oxygen, nitrogen, carbon dioxide, and argon) as a function of inlet air pressure, altitude, breathing gas flow rate, and ambient temperature. The maximum oxygen concentration observed was 95%, with the balance argon. At low demand flow rates and certain conditions of pressure and altitude, the argon enrichment factor exceeded that of oxygen giving a maximum argon concentration of 6.6% with the balance oxygen. The structural integrity of the unit was verified by vibration and centrifuge testing. The performance of the molecular sieve unit is discussed in the context of aircraft operating envelopes using both diluter-demand and 100% delivery subsystems. PMID:6774707

  10. Experiments for the Undergraduate Laboratory that Illustrate the Size-Exclusion Properties of Zeolite Molecular Sieves

    ERIC Educational Resources Information Center

    Cooke, Jason; Henderson, Eric J.

    2009-01-01

    Experiments are presented that demonstrate the size-exclusion properties of zeolites and reveal the reason for naming zeolites "molecular sieves". If an IR spectrometer is available, the adsorption or exclusion of alcohols of varying sizes from dichloromethane or chloroform solutions can be readily demonstrated by monitoring changes in the…

  11. EVALUATION OF MOLECULAR SIEVES FOR SAMPLING N0X EMISSIONS AT ELECTRIC UTILITY PLANTS

    EPA Science Inventory

    A field study was conducted to evaluate the use of molecular sieves for collection of NOx (NO + NO2) emissions from utility boilers. It was found that NOx could be collected efficiently (99%) at sample flow rates of 1 L/min over 20- to 40-min sampling periods at the NOx levels en...

  12. Low Temperature VOC Combustion Over Manganese, Cobalt and Zinc AlPO{sub 4} Molecular Sieves

    SciTech Connect

    Szostak, R.

    1997-03-31

    The objective of this project is to prepare manganese, cobalt and zinc containing AlPO{sub 4} molecular sieves and evaluate their catalytic activities for the removal of low levels of volatile organic compounds (VOCs) from gas streams. This report highlights our research activities for period October 1,1996 to March 31, 1997.

  13. Biomass-based palm shell activated carbon and palm shell carbon molecular sieve as gas separation adsorbents.

    PubMed

    Sethupathi, Sumathi; Bashir, Mohammed Jk; Akbar, Zinatizadeh Ali; Mohamed, Abdul Rahman

    2015-04-01

    Lignocellulosic biomass has been widely recognised as a potential low-cost source for the production of high added value materials and proved to be a good precursor for the production of activated carbons. One of such valuable biomasses used for the production of activated carbons is palm shell. Palm shell (endocarp) is an abundant by-product produced from the palm oil industries throughout tropical countries. Palm shell activated carbon and palm shell carbon molecular sieve has been widely applied in various environmental pollution control technologies, mainly owing to its high adsorption performance, well-developed porosity and low cost, leading to potential applications in gas-phase separation using adsorption processes. This mini-review represents a comprehensive overview of the palm shell activated carbon and palm shell carbon molecular sieve preparation method, physicochemical properties and feasibility of palm shell activated carbon and palm shell carbon molecular sieve in gas separation processes. Some of the limitations are outlined and suggestions for future improvements are pointed out. PMID:25804669

  14. Probing the structure of metal-substituted molecular sieves by solid-state NMR

    SciTech Connect

    Labouriau, A.; Crawford, S.N.; Ott, K.; Earl, W.L.

    1998-08-01

    Paramagnetic metal ions exert large influences on the NMR spectra of neighboring nuclei. The authors are using these effects to probe metal sites in zeolites and AlPO{sub 4} molecular sieves. In particular, they are studying [Co]-AlPO{sub 4}-5 because similar cobalt substituted AlPO{sub 4} sieves are reported in the literature. They have extended that work to probe the titanium zeolite TS-1 by comparing spectra of normal TS-1 to samples where the titanium has been reduced to the paramagnetic Ti{sup 3+}. This promises to be a useful technique for determining framework substitution in many zeolite systems.

  15. Reverse osmosis molecular differentiation of organic liquids using carbon molecular sieve membranes.

    PubMed

    Koh, Dong-Yeun; McCool, Benjamin A; Deckman, Harry W; Lively, Ryan P

    2016-08-19

    Liquid-phase separations of similarly sized organic molecules using membranes is a major challenge for energy-intensive industrial separation processes. We created free-standing carbon molecular sieve membranes that translate the advantages of reverse osmosis for aqueous separations to the separation of organic liquids. Polymer precursors were cross-linked with a one-pot technique that protected the porous morphology of the membranes from thermally induced structural rearrangement during carbonization. Permeation studies using benzene derivatives whose kinetic diameters differ by less than an angstrom show kinetically selective organic liquid reverse osmosis. Ratios of single-component fluxes for para- and ortho-xylene exceeding 25 were observed and para- and ortho- liquid mixtures were efficiently separated, with an equimolar feed enriched to 81 mole % para-xylene, without phase change and at ambient temperature. PMID:27540170

  16. 21 CFR 173.40 - Molecular sieve resins.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... purified dextran having an average molecular weight of 40,000, cross-linked with epichlorohydrin in a ratio of 1 part of dextran to 10 parts of epichlorohydrin, to give a stable three dimensional...

  17. Synthesis of a specified, silica molecular sieve by using computationally predicted organic structure-directing agents.

    PubMed

    Schmidt, Joel E; Deem, Michael W; Davis, Mark E

    2014-08-01

    Crystalline molecular sieves are used in numerous applications, where the properties exploited for each technology are the direct consequence of structural features. New materials are typically discovered by trial and error, and in many cases, organic structure-directing agents (OSDAs) are used to direct their formation. Here, we report the first successful synthesis of a specified molecular sieve through the use of an OSDA that was predicted from a recently developed computational method that constructs chemically synthesizable OSDAs. Pentamethylimidazolium is computationally predicted to have the largest stabilization energy in the STW framework, and is experimentally shown to strongly direct the synthesis of pure-silica STW. Other OSDAs with lower stabilization energies did not form STW. The general method demonstrated here to create STW may lead to new, simpler OSDAs for existing frameworks and provide a way to predict OSDAs for desired, theoretical frameworks. PMID:24961789

  18. Evaluation of RTV as a Moldable Matrix When Combined With Molecular Sieve and Organic Hydrogen Getter

    SciTech Connect

    Knight, J. A.

    2011-12-01

    This work was undertaken in an effort to develop a combined RTV 615/3Å molecular sieve/DEB molded component. A molded RTV 615/3Å molecular sieve component is currently in production, and an RTV 615/DEB component was produced in the past. However, all three materials have never before been combined in a single production part, and this is an opportunity to create a new component capable of being molded to shape, performing desiccation, and hydrogen gettering. This analysis looked at weapons system parameters and how they might influence part design. It also looked at material processing and how it related to mixing, activating a dessicant, and hydrogen uptake testing.

  19. Synthesis of highly selective zeolite topology molecular sieve for adsorption of benzene gas

    NASA Astrophysics Data System (ADS)

    Wei, Lin; Chen, Yunlin; Zhang, Baoping; Zu, Zhinan

    2013-02-01

    Shangdong fly ash (SFA), Fangshan fly ash (FFA) and Heilongjiang fly ash (HFA) were selected as the raw materials to be used for synthesis of highly selective zeolite topology molecular sieve. Twice foaming method was studied in terms of synthetic zeolite. The experimental products were characterized by means of X-ray fluorescence (XRF), scanning electron microscope (SEM), X-ray diffraction (XRD), and automated surface area & pore size analyser. The results indicated that 10 M NaOH was chosen as modification experiment condition to process SFA. Crystallization temperature and time were 140 °C and 8 h, respectively. Zeolite topology molecular sieve was prepared with Si/Al molar ratio of 7.9, and its adsorption ratio of benzene gas was up to 66.51%.

  20. [Removal Characteristics of Elemental Mercury by Mn-Ce/molecular Sieve].

    PubMed

    Tan, Zeng-qiang; Niu, Guo-ping; Chen, Xiao-wen; An, Zhen

    2015-06-01

    The impregnation method was used to support molecular sieve with active manganese and cerium components to obtain a composite molecular sieve catalyst. The mercury removal performance of the catalyst was studied with a bench-scale setup. XPS analysis was used to characterize the sample before and after the modification in order to study the changes in the active components of the catalyst prepared. The results showed that the catalyst carrying manganese and cerium components had higher oxidation ability of elemental mercury in the temperature range of 300 degrees C - 450 degrees C, especially at 450 degrees C, the oxidation efficiency of elemental mercury was kept above 80%. The catalyst had more functional groups that were conducive to the oxidation of elemental mercury, and the mercury removal mainly depended on the chemical adsorption. The SO2 and NO in flue gas could inhibit the oxidation of elemental mercury to certain extent. PMID:26387298

  1. Activation of methane by transition metal-substituted aluminophosphate molecular sieves

    DOEpatents

    Iton, Lennox E.; Maroni, Victor A.

    1991-01-01

    Aluminophosphate molecular sieves substituted with cobalt, manganese or iron and having the AlPO.sub.4 -34 or AlPO.sub.4 -5, or related AlPO.sub.4 structure activate methane starting at approximately 350.degree. C. Between 400.degree. and 500.degree. C. and at methane pressures .ltoreq.1 atmosphere the rate of methane conversion increases steadily with typical conversion efficiencies at 500.degree. C. approaching 50% and selectivity to the production of C.sub.2+ hydrocarbons approaching 100%. The activation mechanism is based on reduction of the transition metal(III) form of the molecular sieve to the transition metal(II) form with accompanying oxidative dehydrogenation of the methane. Reoxidation of the - transition metal(II) form to the transition metal(III) form can be done either chemically (e.g., using O.sub.2) or electrochemically.

  2. Removal of Nitrogen Oxides in Diesel Engine Exhaust by Plasma Assisted Molecular Sieves

    NASA Astrophysics Data System (ADS)

    Rajanikanth, B. S.; Ravi, V.

    2002-08-01

    This paper reports the studies conducted on removal of oxides of nitrogen (NOx) from diesel engine exhaust using electrical discharge plasma combined with adsorbing materials such as molecular sieves. This study is being reported for the first time. The exhaust is taken from a diesel engine of 6 kW under no load conditions. The characteristic behavior of a pulse energized dielectric barrier discharge reactor in the diesel exhaust treatment is reported. The NOx removal was not significant (36%) when the reactor without any packing was used. However, when the reactor was packed with molecular sieves (MS -3A, -4A & -13X), the NOx removal efficiency was increased to 78% particularly at a temperature of 200 °C. The studies were conducted at different temperatures and the results were discussed.

  3. A 1-D Model of the 4 Bed Molecular Sieve of the Carbon Dioxide Removal Assembly

    NASA Technical Reports Server (NTRS)

    Coker, Robert; Knox, Jim

    2015-01-01

    Developments to improve system efficiency and reliability for water and carbon dioxide separation systems on crewed vehicles combine sub-scale systems testing and multi-physics simulations. This paper describes the development of COMSOL simulations in support of the Life Support Systems (LSS) project within NASA's Advanced Exploration Systems (AES) program. Specifically, we model the 4 Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) operating on the International Space Station (ISS).

  4. A Pervaporation Study of Ammonia Solutions Using Molecular Sieve Silica Membranes

    PubMed Central

    Yang, Xing; Fraser, Thomas; Myat, Darli; Smart, Simon; Zhang, Jianhua; Diniz da Costa, João C.; Liubinas, Audra; Duke, Mikel

    2014-01-01

    An innovative concept is proposed to recover ammonia from industrial wastewater using a molecular sieve silica membrane in pervaporation (PV), benchmarked against vacuum membrane distillation (VMD). Cobalt and iron doped molecular sieve silica-based ceramic membranes were evaluated based on the ammonia concentration factor downstream and long-term performance. A modified low-temperature membrane evaluation system was utilized, featuring the ability to capture and measure ammonia in the permeate. It was found that the silica membrane with confirmed molecular sieving features had higher water selectivity over ammonia. This was due to a size selectivity mechanism that favoured water, but blocked ammonia. However, a cobalt doped silica membrane previously treated with high temperature water solutions demonstrated extraordinary preference towards ammonia by achieving up to a 50,000 mg/L ammonia concentration (a reusable concentration level) measured in the permeate when fed with 800 mg/L of ammonia solution. This exceeded the concentration factor expected by the benchmark VMD process by four-fold, suspected to be due to the competitive adsorption of ammonia over water into the silica structure with pores now large enough to accommodate ammonia. However, this membrane showed a gradual decline in selectivity, suspected to be due to the degradation of the silica material/pore structure after several hours of operation. PMID:24957120

  5. Aminopropyl-modified mesoporous molecular sieves as efficient adsorbents for removal of auxins

    NASA Astrophysics Data System (ADS)

    Moritz, Michał; Geszke-Moritz, Małgorzata

    2015-03-01

    In the present study, mesoporous siliceous materials grafted with 3-aminopropyltriethoxysilane (APTES) were examined as sorbents for removal of chosen plant growth factors (auxins) such as 1-naphthaleneacetic acid (NAA), indole-3-acetic acid (IAA) and indole-3-butyric acid (IBA). Four different types of mesoporous molecular sieves including SBA-15, PHTS, SBA-16 and MCF have been prepared via non-ionic surfactant-assisted soft templating method. Silica molecular sieves were thoroughly characterized by nitrogen adsorption-desorption analysis, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FT-IR). The maximum adsorption capacity (Qmax) for NAA, IAA and IBA was in the range from 51.0 to 140.8 mg/g and from 4.3 to 7.3 mg/g for aminopropyl-modified adsorbents and pure silicas, respectively. The best adsorption performance was observed for IAA entrapment using both APTES-functionalized SBA-15 and MCF matrices (Qmax of 140.8 and 137.0 mg/g, respectively) which can be ascribed to their larger pore volumes and pore diameters. Moreover, these silicas were characterized by the highest adsorption efficiency exceeding 90% at low pollutant concentration. The experimental points for adsorption of plant growth factors onto aminopropyl-modified mesoporous molecular sieves fitted well to the Langmuir equation.

  6. Titanium-containing mesoporous molecular sieves for catalytic oxidation of aromatic compounds

    NASA Astrophysics Data System (ADS)

    Tanev, Peter T.; Chibwe, Malama; Pinnavaia, Thomas J.

    1994-03-01

    TITANIUM silicalite is an effective molecular-sieve catalyst for the selective oxidation of alkanes, the hydroxylation of phenol and the epoxidation of alkenes in the presence of H2O2 (refs 1-3). The range of organic compounds that can be oxidized is greatly limited, however, by the relatively small pore size (about 0.6 nm) of the host framework4. Large-pore (mesoporous) silica-based molecular sieves have been prepared recently by Kresge et all5-7 and Kuroda et al 8.; the former used a templating approach in which the formation of an inorganic mesoporous structure is assisted by self-organization of surfactants, and the latter involved topochemical rearrangement of a layered silica precursor. Here we describe the use of the templating approach to synthesize mesoporous silica-based molecular sieves partly substituted with titanium-large-pore analogues of titanium silicalite. We find that these materials show selective catalytic activity towards the oxidation of 2,6-ditert-butyl phenol to the corresponding quinone and the conversion of benzene to phenol.

  7. Synthetic Zeolites and Other Microporous Oxide Molecular Sieves

    NASA Astrophysics Data System (ADS)

    Sherman, John D.

    1999-03-01

    Use of synthetic zeolites and other microporous oxides since 1950 has improved insulated windows, automobile air-conditioning, refrigerators, air brakes on trucks, laundry detergents, etc. Their large internal pore volumes, molecular-size pores, regularity of crystal structures, and the diverse framework chemical compositions allow "tailoring" of structure and properties. Thus, highly active and selective catalysts as well as adsorbents and ion exchangers with high capacities and selectivities were developed. In the petroleum refining and petrochemical industries, zeolites have made possible cheaper and lead-free gasoline, higher performance and lower-cost synthetic fibers and plastics, and many improvements in process efficiency and quality and in performance. Zeolites also help protect the environment by improving energy efficiency, reducing automobile exhaust and other emissions, cleaning up hazardous wastes (including the Three Mile Island nuclear power plant and other radioactive wastes), and, as specially tailored desiccants, facilitating the substitution of new refrigerants for the ozone-depleting chlorofluorocarbons banned by the Montreal Protocol.

  8. Tunable ionic-conductivity of collapsed Sandia octahedral molecular sieves (SOMS).

    SciTech Connect

    Pless, Jason; Nenoff, Tina Maria; Garino, Terry J.; Axness, Marlene

    2006-11-01

    This proposal focuses on the synthesis and characterization of ''tunable'' perovskite ceramics with resulting controlled strength and temperature of dielectric constants and/or with ionic conductivity. Traditional methods of synthesis involve high temperature oxide mixing and baking. We developed a new methodology of synthesis involving the (1) low temperature hydrothermal synthesis of metastable porous phases with ''tuned'' stoichiometry, and element types, and then (2) low temperature heat treatment to build exact stoichiometry perovskites, with the desired vacancy concentrations. This flexible pathway can lead to compositions and structures not attainable by conventional methods. During the course of this program, a series of Na-Nb perovskites were synthesized by calcining and collapsing microporous Sandia Octahedral Molecular Sieve (SOMS) phases. These materials were studied by various characterization techniques and conductivity measurements to better delineate stability and stoichiometry/bulk conductivity relationships. The conductivity can be altered by changing the concentration and type of the substituting framework cation(s) or by ion exchange of sodium. To date, the Na{sub 0.9}Mg{sub 0.1}Nb{sub 0.8}Ti{sub 0.2}O{sub 3-{delta}} shows the best conductivity.

  9. Carbon molecular sieve membranes on porous composite tubular supports for high performance gas separations

    DOE PAGESBeta

    Lee, Pyung -Soo; Bhave, Ramesh R.; Nam, Seung -Eun; Kim, Daejin

    2016-01-11

    Thin carbon molecular sieve membranes (<500 nm) were fabricated inside of long geometry (9 inch) of stainless steel tubes with all welded construction. Alumina intermediate layer on porous stainless steel tube support was used to reduce effective support pore size and to provide a more uniform surface roughness. Novolac phenolic resin solution was then coated on the inside of porous stainless steel tube by slip casting while their viscosities were controlled from 5 centipoises to 30 centipoises. Carbonization was carried out at 700 °C in which thermal stress was minimized and high quality carbon films were prepared. The highest separationmore » performance characteristics were obtained using 20 cP phenolic resin solutions. The fabricated CMSM showed good separation factor for He/N2 462, CO2/N2 97, and O2/N2 15.4. As the viscosity of polymer precursor solution was reduced from 20 cP to 15 cP, gas permeance values almost doubled with somewhat lower separation factor He/N2 156, CO2/N2 88, and O2/N2 7.7.« less

  10. Synthetic zeolites and other microporous oxide molecular sieves.

    PubMed

    Sherman, J D

    1999-03-30

    Use of synthetic zeolites and other microporous oxides since 1950 has improved insulated windows, automobile air-conditioning, refrigerators, air brakes on trucks, laundry detergents, etc. Their large internal pore volumes, molecular-size pores, regularity of crystal structures, and the diverse framework chemical compositions allow "tailoring" of structure and properties. Thus, highly active and selective catalysts as well as adsorbents and ion exchangers with high capacities and selectivities were developed. In the petroleum refining and petrochemical industries, zeolites have made possible cheaper and lead-free gasoline, higher performance and lower-cost synthetic fibers and plastics, and many improvements in process efficiency and quality and in performance. Zeolites also help protect the environment by improving energy efficiency, reducing automobile exhaust and other emissions, cleaning up hazardous wastes (including the Three Mile Island nuclear power plant and other radioactive wastes), and, as specially tailored desiccants, facilitating the substitution of new refrigerants for the ozone-depleting chlorofluorocarbons banned by the Montreal Protocol. PMID:10097059

  11. Synthetic zeolites and other microporous oxide molecular sieves

    PubMed Central

    Sherman, John D.

    1999-01-01

    Use of synthetic zeolites and other microporous oxides since 1950 has improved insulated windows, automobile air-conditioning, refrigerators, air brakes on trucks, laundry detergents, etc. Their large internal pore volumes, molecular-size pores, regularity of crystal structures, and the diverse framework chemical compositions allow “tailoring” of structure and properties. Thus, highly active and selective catalysts as well as adsorbents and ion exchangers with high capacities and selectivities were developed. In the petroleum refining and petrochemical industries, zeolites have made possible cheaper and lead-free gasoline, higher performance and lower-cost synthetic fibers and plastics, and many improvements in process efficiency and quality and in performance. Zeolites also help protect the environment by improving energy efficiency, reducing automobile exhaust and other emissions, cleaning up hazardous wastes (including the Three Mile Island nuclear power plant and other radioactive wastes), and, as specially tailored desiccants, facilitating the substitution of new refrigerants for the ozone-depleting chlorofluorocarbons banned by the Montreal Protocol. PMID:10097059

  12. Carbon-fiber composite molecular sieves for gas separation

    SciTech Connect

    Jagtoyen, M.; Derbyshire, F.; Kimber, G.; Fei, Y.Q.

    1995-08-01

    The progress of research in the development of novel, rigid, monolithic adsorbent carbon fiber composites is described. Carbon fiber composites are produced at ORNL and activated at the CAER using steam or CO{sub 2} under different conditions, with the aims of producing a uniform degree of activation through the material, and of closely controlling pore structure and adsorptive properties The principal focus of the work to date has been to produce materials with narrow porosity for use in gas separations.

  13. Advanced Nanostructured Molecular Sieves for Energy Efficient Industrial Separations

    SciTech Connect

    Kunhao Li, Michael Beaver

    2012-01-18

    Due to the very small relative volatility difference between propane and propylene, current propane/propylene separation by distillation requires very tall distillation towers (150-250 theoretical plates) and large reflux ratios (up to 15), which is considered to be the most energy consuming large-scale separation process. Adsorptive separation processes are widely considered to be more energy-efficient alternatives to distillation. However, slow diffusion kinetics/mass transport rate through the adsorbent bed often limits the performance of such processes, so further improvements are possible if intra-particle mass transfer rates can be improved. Rive Technology, Inc. is developing and commercializing its proprietary mesoporous zeolite technology for catalysis and separation. With well-controlled intracrystalline mesoporosity, diffusion kinetics through such mesoporous zeolite based catalysts is much improved relative to conventional zeolites, leading to significantly better product selectivity. This 'proof-of-principle' project (DE-EE0003470) is intended to demonstrate that Rive mesoporous zeolite technology can be extended and applied in adsorptive propane/propylene separation and lead to significant energy saving compared to the current distillation process. In this project, the mesoporous zeolite Y synthesis technology was successfully extended to X and A zeolites that are more relevant to adsorbent applications. Mesoporosity was introduced to zeolite X and A for the first time while maintaining adequate adsorption capacity. Zeolite adsorbents were tested for liquid phase separation performance using a pulse flow test unit and the test results show that the separation selectivity of the mesoporous zeolite adsorbent is much closer to optimal for a Simulated Moving Bed (SMB) separation process and the enhanced mesoporosity lead to >100% increase of overall mass transport rate for propane and propylene. These improvements will significantly improve the

  14. Carbon-fiber composite molecular sieves for gas separation

    SciTech Connect

    Jagtoyen, M.; Derbyshire, F.

    1996-08-01

    This report describes continuing work on the activation and characterization of formed carbon fiber composites. The composites are produced at the Oak Ridge National Laboratory (ORNL) and activated at the Center for Applied Energy Research (CAER) using steam, CO{sub 2}, or O{sub 2} at different conditions of temperature and time, and with different furnace configurations. The general aims of the project are to produce uniformly activated samples with controlled pore structures for specialist applications such as gas separation and water treatment. In previous work the authors reported that composites produced from isotropic pitch fibers weighing up to 25g can be uniformly activated through the appropriate choice of reaction conditions and furnace configurations. They have now succeeded in uniformly activating composites of dimensions up to 12 x 7 x 6 cm, or up to about 166 gram - a scale-up factor of about six. Part of the work has involved the installation of a new furnace that can accommodate larger composites. Efforts were made to achieve uniform activation in both steam and CO{sub 2}. The authors have also succeeded in producing materials with very uniform and narrow pore size distributions by using a novel method involving low temperature oxygen chemisorption in combination with heat treatment in N{sub 2} at high temperatures. Work has also started on the activation of PAN based carbon fibers and fiber composites with the aim of producing composites with wide pore structures for use as catalyst supports. So far activation of the PAN fiber composites supplied by ORNL has been difficult which is attributed to the low reactivity of the PAN fibers. As a result, studies are now being made of the activation of the PAN fibers to investigate the optimum carbonization and activation conditions for PAN based fibers.

  15. Infrared study of CO{sub 2} sorption over 'molecular basket' sorbent consisting of polyethylenimine-modified mesoporous molecular sieve

    SciTech Connect

    Wang, X.X.; Schwartz, V.; Clark, J.C.; Ma, X.L.; Overbury, S.H.; Xu, X.C.; Song, C.S.

    2009-04-15

    An infrared study has been conducted on CO{sub 2} sorption into nanoporous CO{sub 2} 'molecular basket' sorbents prepared by loading polyethylenimine (PEI) into mesoporous molecular sieve SBA-15. IR results from DRIFTS showed that a part of loaded PEI is anchored on the surface of SBA-15 through the interaction between amine groups and isolated surface silanol groups. Raising the temperature from 25 to 75{sup o}C increased the molecular flexibility of PEI loaded in the mesopore channels, which may partly contribute to the increase of CO{sub 2} sorption capacity at higher temperatures. CO{sub 2} sorption/desorption behavior studied by in situ transmission FTIR showed that CO{sub 2} is sorbed on amine sites through the formation of alkylammonium carbamates and absorbed into the multiple layers of PEI located in mesopores of SBA-15. A new observation by in situ IR is that two broad IR bands emerged at 2450 and 2160 cm{sup -1} with CO{sub 2} flowing over PEI(50)/SBA-15, which could be attributed to chemically sorbed CO{sub 2} species on PEI molecules inside the mesopores of SBA-15. The intensities of these two bands also increased with increasing CO{sub 2} exposure time and with raising CO{sub 2} sorption temperature. By comparison of the CO{sub 2} sorption rate at 25 and 75{sup o}C in terms of differential IR intensities, it was found that CO{sub 2} sorption over molecular basket sorbent includes two rate regimes which suggest two distinct steps: rapid sorption on exposed outer surface layers of PEI (controlled by sorption affinity or thermodynamics) and the diffusion and sorption inside the bulk of multiple layers of PEI (controlled by diffusion). The sorption of CO{sub 2} is reversible at 75{sup o}C.

  16. Synthesis, characterization, and pulsed laser ablation of molecular sieves for thin film applications

    NASA Astrophysics Data System (ADS)

    Munoz, Trinidad, Jr.

    1998-12-01

    Molecular sieves are one class of crystalline low density metal oxides which are made up of one-, two-, and three dimensional pores and/or cages. We have investigated the synthesis and characterization of metal substituted aluminophosphates and all silica molecular sieves for thin film applications. A new copper substituted aluminophosphate, CuAPO-5 has been synthesized and characterized using x-ray powder diffraction, FT-IR spectroscopy and scanning electron microscopy. Electron spin resonance and electron spin echo modulation provided supporting evidence of framework incorporation of Cu(II) ions. Thus, an exciting addition has been added to the family of metal substituted aluminophosphates where substitution of the metal has been demonstrated as framework species. Also presented here is the synthesis and characterization of an iron substituted aluminophosphate, FeAPO-5, and an all silica zeolite, UTD-1 for thin film applications. Pulsed laser ablation has been employed as the technique to generate thin films. Here an excimer laser (KrFsp*, 248 nm) was used to deposit the molecular sieves on a variety of substrates including polished silicon, titanium nitride, and porous stainless steel disks. The crystallinity of the deposited films was enhanced by a post hydrothermal treatment. A vapor phase treatment of the laser deposited FeAPO-5 films has been shown to increase the crystallinity of the film without increasing film thickness. Thin films of the FeAPO-5 molecular sieves were subsequently used as the dielectric phase in capacitive type chemical sensors. The capacitance change of the FeAPO-5 devices to the relative moisture makes them potential humidity sensors. The all silica zeolite UTD-1 thin films were deposited on polished silicon and porous supports. A brief post hydrothermal treatment of the laser deposited films deposited on polished silicon and porous metal supports resulted in oriented film growth lending these films to applications in gas separations

  17. 13C NMR spectroscopy of methane adsorbed in SAPO-11 molecular sieve

    NASA Astrophysics Data System (ADS)

    Koskela, Tuomas; Ylihautala, Mika; Vaara, Juha; Jokisaari, Jukka

    1996-10-01

    Static 13C and 13C-{ 1H} NMR spectra of carbon-13 enriched methane ( 13CH 4) adsorbed into SAPO-11 molecular sieve were recorded at variable temperatures. Moreover, the corresponding MAS NMR spectra were measured. These experiments reveal a temperature-dependent, anisotropic and asymmetric 13C nuclear shielding tensor. Ab initio model calculations of methane in the field of a positive point charge suggest that the deformation of the shielding tensor may be related to the interaction between the methane molecule and the charge-compensating protons. A comparison with existing Xe data is made.

  18. Improved light olefin yield from methyl bromide coupling over modified SAPO-34 molecular sieves.

    PubMed

    Zhang, Aihua; Sun, Shouli; Komon, Zachary J A; Osterwalder, Neil; Gadewar, Sagar; Stoimenov, Peter; Auerbach, Daniel J; Stucky, Galen D; McFarland, Eric W

    2011-02-21

    As an alternative to the partial oxidation of methane to synthesis gas followed by methanol synthesis and the subsequent generation of olefins, we have studied the production of light olefins (ethylene and propylene) from the reaction of methyl bromide over various modified microporous silico-aluminophosphate molecular-sieve catalysts with an emphasis on SAPO-34. Some comparisons of methyl halides and methanol as reaction intermediates in their conversion to olefins are presented. Increasing the ratio of Si/Al and incorporation of Co into the catalyst framework improved the methyl bromide yield of light olefins over that obtained using standard SAPO-34. PMID:21203621

  19. Catalytic Reforming of Lignin-Derived Bio-Oil Over a Nanoporous Molecular Sieve Silicoaluminophosphate-11.

    PubMed

    Park, Y K; Kang, Hyeon Koo; Jang, Hansaem; Suh, Dong Jin; Park, Sung Hoon

    2016-05-01

    Catalytic pyrolysis of lignin, a major constituent of biomass, was performed. A nanoporous molecular sieve silicoaluminophosphate-11 (SAPO-11) was selected as catalyst. Thermogravimetric analysis showed that 500 degrees C was the optimal pyrolysis temperature. Pyrolyzer-gas chromatography/mass spectroscopy was used to investigate the pyrolysis product distribution. Production of phenolics, the dominant product from the pyrolysis of lignin, was promoted by the increase in the catalyst dose. In particular, low-molecular-mass phenolics were produced more over SAPO-11, while high-molecular-mass phenolics and double-bond-containing phenolics were produced less. The fraction of aromatic compounds, including benzene, toluene, xylene, and ethylbenzene, was also increased by catalytic reforming. The catalytic effects were more pronounced when the catalyst/biomass ratio was increased. The enhanced production of aromatic compounds by an acidic catalyst obtained in this study is in good agreement with the results of previous studies. PMID:27483769

  20. Redox chemistry of gaseous reactants inside photoexcited FeAlPO{sub 4} molecular sieve

    SciTech Connect

    Ulagappan, N.; Frei, H.

    2000-01-27

    The reactivity of ligand-to-metal charge transfer excited Fe centers of FeAlPO{sub 4}-5 molecular sieve at the gas-micropore interface has been probed by in situ FT-IR spectroscopy. Laser light in the region 350--430 nm was used to excite the metal centers, and reaction was induced between methanol or 2-propanol and O{sub 2}. Acetone and H{sub 2}O are the observed products of the 2-propanol + O{sub 2} system, while the reaction of methanol with O{sub 2} yields formic acid, methyl formate, and H{sub 2}O as final products. These originate from secondary thermal reaction of initially produced formaldehyde and hydrogen peroxide. The primary step of the proposed mechanism involves one-electron reduction of O{sub 2} by transient Fe{sup +II} under concurrent donation of an electron to be hole of framework oxygen by the alcohol molecule. The efficient reaction suggests that the photoreduced Fe center of the molecular sieve has a substantially stronger reducing power than the conduction band electrons of dense-phase Fe{sub 2}O{sub 3} semiconductor particles.

  1. Hydroxylation of phenol over MeAPO molecular sieves synthesized by vapor phase transport

    NASA Astrophysics Data System (ADS)

    Shao, Hui; Chen, Jingjing; Chen, Xia; Leng, Yixin; Zhong, Jing

    2016-07-01

    In this study, MeAPO-25 (Me = Fe, Cu, Mn) molecular sieves were first synthesized by a vapor phase transport method using tetramethyl guanidine as the template and applied to hydroxylation of phenol. The zeolites were characterized by XRD, SEM, FT-IR, and DR UV-Vis. As a result, MeAPO-21 and MeAPO-15 were synthesized by changing the Me/Al ratio. UV-Visible diffuse reflectance study suggested incorporation of heteroatoms into the framework and FT-IR study also supported these data. Effects of heteroatoms, contents of Me in MeAPO-25, reaction temperature, phenol/H2O2 mole ratios, reaction time and concentration of catalyst on the conversion of phenol, as well as on the selectivity were studied. FeAPO-25 exhibited a high catalytic activity at the mole ratio of FeO and Al2O3 equal to 0.1 in the synthesis gel, giving the phenol conversion of 88.75% and diphenols selectivity of 66.23% at 60°C within 3 h [ n(phenol)/ n(H2O2) = 0.75, m(FeAPO-25)/ m(phenol) = 7.5%]. Experimental results indicated that the FeAPO-25 molecular sieve was a fairly promising candidate for the application in hydroxylation of phenol.

  2. Phase behavior and molecular mobility of n -octylcyanobiphenyl confined to molecular sieves: Dependence on the pore size

    NASA Astrophysics Data System (ADS)

    Frunza, Ligia; Frunza, Stefan; Kosslick, Hendrik; Schönhals, Andreas

    2008-11-01

    The molecular dynamics of 4- n -octyl- 4' -cyanobiphenyl (8CB) confined inside the pores of a series of AlMCM-41 samples with the same structure, constant composition (Si/Al=14.7) but different pore sizes (diameter between 2.3 and 4.6nm ) was investigated by broadband dielectric spectroscopy (10-2-109Hz) in a large temperature interval. Two relaxation processes are observed: one has a bulklike behavior and is assigned to the 8CB in the pore center. The relaxation time of the second relaxation process is essentially slower than that of the former one and this process is related to the dynamics of molecules in a surface layer with a paranematic order. Both relaxation processes are specifically influenced by the interaction of the molecules with the surface and by the confinement. Above the clearing temperature the temperature dependence of the relaxation rate of the bulklike process obeys the Vogel-Fulcher-Tammann (VFT) law. The Vogel temperature increases with decreasing pore size. This is explained by increasing influence of paranematic potential of the surface layer with decreasing pore size. The temperature dependence of the relaxation rate of the surface layer follows also the VFT formula and the Vogel temperature decreases with decreasing pore size. This temperature dependence is controlled by both the interaction of the 8CB molecules with the surface via hydrogen bonding and by spatial confinement effects. To discriminate between both effects the data for the surface layer of 8CB confined to the molecular sieves are compared with results concerning 8CB adsorbed as a quasimonolayer on the surface of silica spheres of aerosil. On this basis a confinement parameter is defined and discussed.

  3. Phase behavior and molecular mobility of n-octylcyanobiphenyl confined to molecular sieves: dependence on the pore size.

    PubMed

    Frunza, Ligia; Frunza, Stefan; Kosslick, Hendrik; Schönhals, Andreas

    2008-11-01

    The molecular dynamics of 4-n-octyl-4'-cyanobiphenyl (8CB) confined inside the pores of a series of AlMCM-41 samples with the same structure, constant composition (SiAl=14.7) but different pore sizes (diameter between 2.3 and 4.6 nm) was investigated by broadband dielectric spectroscopy (10(-2)-10(9) Hz) in a large temperature interval. Two relaxation processes are observed: one has a bulklike behavior and is assigned to the 8CB in the pore center. The relaxation time of the second relaxation process is essentially slower than that of the former one and this process is related to the dynamics of molecules in a surface layer with a paranematic order. Both relaxation processes are specifically influenced by the interaction of the molecules with the surface and by the confinement. Above the clearing temperature the temperature dependence of the relaxation rate of the bulklike process obeys the Vogel-Fulcher-Tammann (VFT) law. The Vogel temperature increases with decreasing pore size. This is explained by increasing influence of paranematic potential of the surface layer with decreasing pore size. The temperature dependence of the relaxation rate of the surface layer follows also the VFT formula and the Vogel temperature decreases with decreasing pore size. This temperature dependence is controlled by both the interaction of the 8CB molecules with the surface via hydrogen bonding and by spatial confinement effects. To discriminate between both effects the data for the surface layer of 8CB confined to the molecular sieves are compared with results concerning 8CB adsorbed as a quasimonolayer on the surface of silica spheres of aerosil. On this basis a confinement parameter is defined and discussed. PMID:19113137

  4. Cryogenic adsorption of low-concentration hydrogen on charcoal, 5A molecular sieve, sodalite, ZSM-5 and Wessalith DAY

    SciTech Connect

    Willms, R.S.

    1993-12-01

    The separation of low-concentration hydrogen isotopes from helium is a processing step that is required for ceramic lithium breeding blanket processing. Cryogenic adsorption is one method of effecting this separation. In this study live adsorbents were considered for this purpose: charcoal, 5A molecular sieve, UOP S-115, ZSM-5 and Wessalith DAY. The first two adsorbents exhibit good equilibrium loadings and are shown to be quite effective at adsorbing low-concentration hydrogen isotopes. The latter three adsorbents display considerably lower equilibrium loadings. This study concludes that by using either charcoal or 5A molecular sieve, cryogenic adsorption would be an effective means of separating hydrogen isotopes from helium.

  5. A portable molecular-sieve-based CO2 sampling system for radiocarbon measurements

    NASA Astrophysics Data System (ADS)

    Palonen, V.

    2015-12-01

    We have developed a field-capable sampling system for the collection of CO2 samples for radiocarbon-concentration measurements. Most target systems in environmental research are limited in volume and CO2 concentration, making conventional flask sampling hard or impossible for radiocarbon studies. The present system captures the CO2 selectively to cartridges containing 13X molecular sieve material. The sampling does not introduce significant under-pressures or significant losses of moisture to the target system, making it suitable for most environmental targets. The system also incorporates a significantly larger sieve container for the removal of CO2 from chambers prior to the CO2 build-up phase and sampling. In addition, both the CO2 and H2O content of the sample gas are measured continuously. This enables in situ estimation of the amount of collected CO2 and the determination of CO2 flux to a chamber. The portable sampling system is described in detail and tests for the reliability of the method are presented.

  6. A portable molecular-sieve-based CO2 sampling system for radiocarbon measurements.

    PubMed

    Palonen, V

    2015-12-01

    We have developed a field-capable sampling system for the collection of CO2 samples for radiocarbon-concentration measurements. Most target systems in environmental research are limited in volume and CO2 concentration, making conventional flask sampling hard or impossible for radiocarbon studies. The present system captures the CO2 selectively to cartridges containing 13X molecular sieve material. The sampling does not introduce significant under-pressures or significant losses of moisture to the target system, making it suitable for most environmental targets. The system also incorporates a significantly larger sieve container for the removal of CO2 from chambers prior to the CO2 build-up phase and sampling. In addition, both the CO2 and H2O content of the sample gas are measured continuously. This enables in situ estimation of the amount of collected CO2 and the determination of CO2 flux to a chamber. The portable sampling system is described in detail and tests for the reliability of the method are presented. PMID:26724067

  7. A portable molecular-sieve-based CO{sub 2} sampling system for radiocarbon measurements

    SciTech Connect

    Palonen, V.

    2015-12-15

    We have developed a field-capable sampling system for the collection of CO{sub 2} samples for radiocarbon-concentration measurements. Most target systems in environmental research are limited in volume and CO{sub 2} concentration, making conventional flask sampling hard or impossible for radiocarbon studies. The present system captures the CO{sub 2} selectively to cartridges containing 13X molecular sieve material. The sampling does not introduce significant under-pressures or significant losses of moisture to the target system, making it suitable for most environmental targets. The system also incorporates a significantly larger sieve container for the removal of CO{sub 2} from chambers prior to the CO{sub 2} build-up phase and sampling. In addition, both the CO{sub 2} and H{sub 2}O content of the sample gas are measured continuously. This enables in situ estimation of the amount of collected CO{sub 2} and the determination of CO{sub 2} flux to a chamber. The portable sampling system is described in detail and tests for the reliability of the method are presented.

  8. Infrared Study of CO2 Sorption over ?Molecular Basket? Sorbent Consisting of Polyethylenimine-Modified Mesoporous Molecular Sieve

    SciTech Connect

    Overbury, Steven {Steve} H; Wang, Xiaoxing; Clark, Jason; Ma, Xiaoliang; Xu, Xiaochun; Song, Chunshan; Schwartz, Viviane

    2009-01-01

    An infrared study has been conducted on CO{sub 2} sorption into nanoporous CO{sub 2} 'molecular basket' sorbents prepared by loading polyethylenimine (PEI) into mesoporous molecular sieve SBA-15. IR results from DRIFTS showed that a part of loaded PEI is anchored on the surface of SBA-15 through the interaction between amine groups and isolated surface silanol groups. Raising the temperature from 25 to 75 C increased the molecular flexibility of PEI loaded in the mesopore channels, which may partly contribute to the increase of CO{sub 2} sorption capacity at higher temperatures. CO{sub 2} sorption/desorption behavior studied by in situ transmission FTIR showed that CO{sub 2} is sorbed on amine sites through the formation of alkylammonium carbamates and absorbed into the multiple layers of PEI located in mesopores of SBA-15. A new observation by in situ IR is that two broad IR bands emerged at 2450 and 2160 cm{sup -1} with CO{sub 2} flowing over PEI(50)/SBA-15, which could be attributed to chemically sorbed CO{sub 2} species on PEI molecules inside the mesopores of SBA-15. The intensities of these two bands also increased with increasing CO{sub 2} exposure time and with raising CO{sub 2} sorption temperature. By comparison of the CO{sub 2} sorption rate at 25 and 75 C in terms of differential IR intensities, it was found that CO{sub 2} sorption over molecular basket sorbent includes two rate regimes which suggest two distinct steps: rapid sorption on exposed outer surface layers of PEI (controlled by sorption affinity or thermodynamics) and the diffusion and sorption inside the bulk of multiple layers of PEI (controlled by diffusion). The sorption of CO{sub 2} is reversible at 75 C. Comparative IR examination of the CO{sub 2} sorption/desorption spectra on dry and prewetted PEI/SBA-15 sorbent revealed that presorbed water does not significantly affect the CO{sub 2}-amine interaction patterns.

  9. Exploring meso-/microporous composite molecular sieves with core-shell structures.

    PubMed

    Qian, Xufang F; Li, Bin; Hu, Yuanyuan Y; Niu, Guoxing X; Zhang, D Yahong H; Che, Renchao C; Tang, Yi; Su, Dangsheng S; Asiri, Abdullah M; Zhao, Dongyuan Y

    2012-01-16

    A series of core-shell-structured composite molecular sieves comprising zeolite single crystals (i.e., ZSM-5) as a core and ordered mesoporous silica as a shell were synthesized by means of a surfactant-directed sol-gel process in basic medium by using cetyltrimethylammonium bromide (CTAB) as a template and tetraethylorthosilicate (TEOS) as silica precursor. Through this coating method, uniform mesoporous silica shells closely grow around the anisotropic zeolite single crystals, the shell thickness of which can easily be tuned in the range of 15-100 nm by changing the ratio of TEOS/zeolite. The obtained composite molecular sieves have compact meso-/micropore junctions that form a hierarchical pore structure from ordered mesopore channels (2.4-3.0 nm in diameter) to zeolite micropores (≈0.51 nm). The short-time kinetic diffusion efficiency of benzene molecules within pristine ZSM-5 (≈7.88×10(-19)  m(2)  s(-1)) is almost retainable after covering with 75 nm-thick mesoporous silica shells (≈7.25×10(-19)  m(2)  s(-1)), which reflects the greatly opened junctions between closely connected mesopores (shell) and micropores (core). The core-shell composite shows greatly enhanced adsorption capacity (≈1.35 mmol  g(-1)) for large molecules such as 1,3,5-triisopropylbenzene relative to that of pristine ZSM-5 (≈0.4 mmol  g(-1)) owing to the mesoporous silica shells. When Al species are introduced during the coating process, the core-shell composite molecular sieves demonstrate a graded acidity distribution from weak acidity of mesopores (predominant Lewis acid sites) to accessible strong acidity of zeolite cores (Lewis and Brønsted acid sites). The probe catalytic cracking reaction of n-dodecane shows the superiority of the unique core-shell structure over pristine ZSM-5. Insight into the core-shell composite structure with hierarchical pore and graded acidity distribution show great potential for petroleum catalytic processes. PMID

  10. Titanium-containing zeolites and microporous molecular sieves as photovoltaic solar cells.

    PubMed

    Atienzar, Pedro; Valencia, Susana; Corma, Avelino; García, Hermenegildo

    2007-05-14

    Four titanium-containing zeolites and microporous molecular sieves differing on the crystal structure and particle size (Ti/Beta, Ti/Beta-60, TS-1 and ETS-10) are prepared, and their activity for solar cells after incorporating N3 (a commercially available ruthenium polypyridyl dye) is tested. All the zeolites exhibit photovoltaic activity, and the photoresponse is quite independent of the zeolite pore dimensions or particle size. The photoresponse increases with titanium content in the range 1-7% wt. In this way, cells are obtained that have open-circuit voltage Voc=560 mV and maximum short-circuit photocurrent density Isc=100 microA, measured for 1x1 cm2 surfaces with a solar simulator at 1000 W through and AM 1.5 filter. These values are promising and comparable to those obtained for current dye-sensitized titania solar cells. PMID:17410619

  11. Inorganic fluoride uptake as a measure of relative compatibility of molecular sieve desiccants with fluorocarbon refrigerants

    SciTech Connect

    Cohen, A.P.; Blackwell, C.S.

    1995-12-31

    The fluoride content of molecular sieve desiccants after exposure to R-32 in compatibility tests indicates the extent of the reaction of refrigerant with desiccant. The objective is to determine this fluoride content in a way that reports fluorine that has reacted with the desiccant, not fluorine that is present as adsorbed refrigerant. A conditioning procedure is described to remove adsorbed refrigerant by displacement with water vapor. The efficacy of this procedure is substantiated by {sup 19}F NMR spectroscopy. The conditioned desiccant undergoes pyrohydrolysis at a high temperature (975 C, 1787 F) to remove reacted fluorine as HF. Fluoride is determined in the resulting condensate using an ion-selective electrode. The ability of this technique to report accurate fluoride values is confirmed with standard reference materials.

  12. Catalytic Transformation of Bio-oil to Olefins with Molecular Sieve Catalysts

    NASA Astrophysics Data System (ADS)

    Huang, Wei-wei; Gong, Fei-yan; Zhai, Qi; Li, Quan-xin

    2012-08-01

    Catalytic conversion of bio-oil into light olefins was performed by a series of molecular sieve catalysts, including HZSM-5, MCM-41, SAPO-34 and Y-zeolite. Based on the light olefins yield and its carbon selectivity, the production of light olefins decreased in the following order: HZSM-5>SAPO-34>MCM-41> Y-zeolite. The highest olefins yield from bio-oil using HZSM-5 catalyst reached 0.22 kg/kgbio-oil with carbon selectivity of 50.7% and a nearly complete bio-oil conversion. The reaction conditions and catalyst characterization were investigated in detail to reveal the relationship between the catalyst structure and the production of olefins. The comparison between the pyrolysis and catalytic pyrolysis of bio-oil was also performed.

  13. Efficient adsorption of phenanthrene by simply synthesized hydrophobic MCM-41 molecular sieves

    NASA Astrophysics Data System (ADS)

    Hu, Yun; He, Yinyun; Wang, Xiaowen; Wei, Chaohai

    2014-08-01

    Hydrophobic molecular sieve MCM-41 including surfactant template was synthesized by a simple method. The adsorption properties of this material toward phenanthrene were studied. The effects of adsorbent dose and pH value on the adsorption process as well as the adsorption mechanism and reuse performance were investigated. The template-containing MCM-41 showed a significant adsorption for phenanthrene, due to its hydrophobicity created by the surfactant template in MCM-41. The solution pH had little effect on the adsorption capacity. The adsorption kinetic could be fitted well with pseudo-second-order kinetic model. The adsorption equilibrium was fitted well by the linear model, and the adsorption process followed the liquid/solid phase distribution mechanism. The thermodynamic results indicated that the adsorption was a spontaneous and exothermic process.

  14. Production of carbon molecular sieves from Illinois coal. Technical report, March 1, 1994--May 31, 1994

    SciTech Connect

    Lizzio, A.A.; Rostam-Abadi, M.; Feizoulof, C.A.; Vyas, S.N.

    1994-09-01

    Carbon molecular sieves (CMS) have become an increasingly important class of adsorbents for use in gas separation and recovery processes. The overall objective of this project is to determine whether Illinois coal is a suitable feedstock for the production of CMS and to evaluate the potential application of the products in commercial gas separation processes. The full potential of these materials in commercial gas separations has yet to be realized. In Phase II, the optimal char preparation conditions determined in Phase I are being applied to production of larger quantities of CMS in a 2 in. ID batch fluidized-bed reactor (FBR) and a 4 in. ID continuous rotary tube kiln (RTK). In the previous reporting period, an invention disclosure describing a novel CMS preparation technique (oxygen deposition) was prepared and submitted to Research Corporation Technologies for evaluation. During this reporting period, work continued on the development of the oxygen deposition process. Carbon deposition as a means to narrow pore size was also investigated. Pound quantities of CMS were prepared from IBC-102 coal in the TRK. A meeting was arranged between the ISGS and Carbo Tech Industieservice GmbH, one of two companies in the world that produce CMS from coal, to discuss possible shipment of Illinois coal to Germany for CMS production. A secrecy agreement between the ISGS and Carbo Tech is in preparation. Several large scale char production runs using Industry Mine coal were conducted in an 18 in. ID batch and 8 in. ID continuous RTK at Allis Mineral Systems, Milwaukee, WI. The molecular sieve properties of the chars have yet to be determined.

  15. The combined use of ultrasound and molecular sieves improves the synthesis of ethyl butyrate catalyzed by immobilized Thermomyces lanuginosus lipase.

    PubMed

    Paludo, Natalia; Alves, Joana S; Altmann, Cintia; Ayub, Marco A Z; Fernandez-Lafuente, Roberto; Rodrigues, Rafael C

    2015-01-01

    In this work, the combined use of ultrasound energy and molecular sieves was investigated for the synthesis of ethyl butyrate, ester with mango and banana notes, catalyzed by the immobilized lipase from Thermomyces lanuginosus (Lipozyme TL-IM). Initially, the best concentrations of biocatalysts (35%) and butyric acid (0.7M) were tested using ultrasound as an alternative to mechanical agitation. The amount of acid in the reaction could be increased by 2-fold when compared to previous works where mechanical agitation was used. In the next step, substrate molar ratio and reaction temperature were optimized and the best conditions were at their lowest levels: 1:1 (acid:alcohol), and 30°C, reaching 61% of conversion in 6h. Molecular sieves (3Å) were added to optimized reaction medium in order to remove the formed water and improve the maximum yield. The reaction yield increased 1.5 times, reaching 90% of conversion in 6h, when 60mg of molecular sieves per mmol of butyric acid was used. Finally, the reuse of Lipozyme TL-IM for the ultrasound-assisted synthesis of ethyl butyrate was verified for 10 batches, without any appreciable loss of activity, whereas in systems using mechanical agitation, the biocatalyst was completely inactivated after 5 batches. These results suggest that the combined use of ultrasound and molecular sieves greatly improve esterification reactions by stabilizing the enzyme and increasing yields. PMID:24844439

  16. The effects of zeolite molecular sieve based surface treatments on the properties of wool fabrics

    NASA Astrophysics Data System (ADS)

    Carran, Richard S.; Ghosh, Arun; Dyer, Jolon M.

    2013-12-01

    Wool is a natural composite fiber, with keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool fibers comprises a hydrophobic lipid layer that can lead to unsatisfactory processing and properties of fabric products. In this study, molecular sieve 5A, a Na+ and Ca2+ exchanged type A zeolite with a 1:1 Si:Al ratio was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane. The resultant surface morphology, hydrophilicity and mechanical performance of the treated wool fabrics were then evaluated. Notably, the surface hydrophilicity of wool was observed to increase dramatically. When wool was treated with a dispersion of 2 wt% acetic acid, 2.5 wt% zeolite and 0.3 wt% or more silane, the water contact angle was observed to decrease from an average value of 148° to 0° over a period of approximately 30 s. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, with infrared spectroscopic evaluation indicating strong bonding of the dealuminated zeolite to wool keratins. This application of zeolite showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is a potentially efficient approach to increasing the surface hydrophilicity and modifying other key surface properties of wool and wool fabrics.

  17. A titanosilicate molecular sieve with adjustable pores for size-selective adsorption of molecules.

    PubMed

    Kuznicki, S M; Bell, V A; Nair, S; Hillhouse, H W; Jacubinas, R M; Braunbarth, C M; Toby, B H; Tsapatsis, M

    2001-08-16

    Zeolites and related crystalline microporous oxides-tetrahedrally coordinated atoms covalently linked into a porous framework-are of interest for applications ranging from catalysis to adsorption and ion-exchange. In some of these materials (such as zeolite rho) adsorbates, ion-exchange, and dehydration and cation relocation can induce strong framework deformations. Similar framework flexibility has to date not been seen in mixed octahedral/tetrahedral microporous framework materials, a newer and rapidly expanding class of molecular sieves. Here we show that the framework of the titanium silicate ETS-4, the first member of this class of materials, can be systematically contracted through dehydration at elevated temperatures to 'tune' the effective size of the pores giving access to the interior of the crystal. We show that this so-called 'molecular gate' effect can be used to tailor the adsorption properties of the materials to give size-selective adsorbents suitable for commercially important separations of gas mixtures of molecules with similar size in the 4.0 to 3.0 A range, such as that of N2/CH4, Ar/O2 and N2/O2. PMID:11507636

  18. Continuously Adjustable, Molecular-Sieving “Gate” on 5A Zeolite for Distinguishing Small Organic Molecules by Size

    PubMed Central

    Song, Zhuonan; Huang, Yi; Xu, Weiwei L.; Wang, Lei; Bao, Yu; Li, Shiguang; Yu, Miao

    2015-01-01

    Zeolites/molecular sieves with uniform, molecular-sized pores are important for many adsorption-based separation processes. Pore size gaps, however, exist in the current zeolite family. This leads to a great challenge of separating molecules with size differences at ~0.01 nm level. Here, we report a novel concept, pore misalignment, to form a continuously adjustable, molecular-sieving “gate” at the 5A zeolite pore entrance without sacrificing the internal capacity. Misalignment of the micropores of the alumina coating with the 5A zeolite pores was related with and facilely adjusted by the coating thickness. For the first time, organic molecules with sub-0.01 nm size differences were effectively distinguished via appropriate misalignment. This novel concept may have great potential to fill the pore size gaps of the zeolite family and realize size-selective adsorption separation. PMID:26358480

  19. Textural mesoporosity and the catalytic activity of mesoporous molecular sieves with wormhole framework structures

    SciTech Connect

    Pauly, T.R.; Liu, Y.; Pinnavaia, T.J.; Billinge, S.J.L.; Rieker, T.P.

    1999-09-29

    Three different water-alcohol cosolvent systems were used to assemble mesoporous molecular sieve silicas with wormhole framework structures (previously denoted HMS silicas) from an electrically neutral amine surfactant (S{degree}) and a silicon alkoxide precursor (I{degree}). The fundamental particle size and associated textural (interparticle) porosity of the disordered structures were correlated with the solubility of the surfactant in the water-alcohol cosolvents used for the S{degree}I{degree} assembly process. Polar cosolvents containing relatively low volume fractions of C{sub n}H{sub 2n+1}OH alcohols (n = 1--3) gave heterogeneous surfactant emulsions that assembled intergrown aggregates of small primary particles with high textural pore volumes (designated HMS-HTx). Conversely, three-dimensional, monolithic particles with little or no textural porosity (designated HMS-LTx) were formed from homogeneous surfactant solutions in lower polarity cosolvents. Aluminum substituted AL-HMS-HTx analogues with high textural porosity and improved framework accessibility also were shown to be much more efficient catalysts than AL-HMS-LTx or monolithic forms of hexagonal AL-MCM-41 for the sterically demanding condensed phase alkylation of 2,4-di-tert-butylphenol with cinnamyl alcohol. Transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS) studies verified the textural differences between wormhole HMS and electrostatically assembled hexagonal MCM-41 and SBA-3 molecular sieves. Power law fits to the scattering data indicated a surface fractal (D{sub s} = 2.76) for HMS-HTx, consistent with rough surfaces. A second power law at lower-q indicated the formation of a mass fractal (D{sub m} = 1.83) consistent with branching of small fundamental particles. Hexagonal MCM-41 and SBA-3 silicas, on the other hand, exhibited scattering properties consistent with moderately rough surfaces (D{sub s} = 2.35 and 2.22, respectively) and large particle diameters ({much

  20. Degradation of antibiotic amoxicillin using 1 x 1 molecular sieve-structured manganese oxide.

    PubMed

    Kuan, Wen-Hui; Hu, Ching-Yao; Liu, Bin-Sheng; Tzou, Yu-Min

    2013-01-01

    The kinetics and mechanism ofamoxicillin (AMO) degradation using a 1 x 1 molecular sieve-structured manganese oxide (MnO2) was studied. The presence of the buffer solution (i.e., NaHCO3, NaH2PO4 and KH2PO4) diminished AMO binding to MnO2, thus reducing AMO degradation in the pretest; therefore, all other experiments in this study were conducted without the addition of a buffer. Third-order rate constants, second-order on AMO and first-order on MnO2 increased with elevating pH level (2.81-7.23) from 0.54 to 9.17 M(-2) s(-1), and it decreased to 4.27 M(-2) s(-1) at pH 8.53 beyond the pk(a2) of AMO (7.3). The dissolution of the MnO2 suspension with and without AMO exhibited a similar trend; that is, Mn2+ concentration increased with decreasing pH. However, the dissolution of MnO2 with AMO was greater than that without AMO, except for the reaction occurring at pH 8.53, partially indicating that MnO2 acts as an oxidant in AMO degradation. The preliminary chromatogram data display different products with varying pH reaction s, implying that AMO elimination using this 1 x 1 molecular sieve-structured MnO2 is by adsorption as well as oxidative degradation. A complementary experiment indicates that the amount of oxidatively degraded AMO increases substantially from 65.5% at 4 h to 95% at 48 h, whereas the AMO adsorbed onto MnO2 decreases slightly from 4.5% at4 h to 2.4% at 48 h. The oxidative degradation accounted for more AMO removal than adsorption over the whole reaction course, indicating that the oxidative reaction of AMO on MnO2 dominated the AMO removal. PMID:24350501

  1. Activation and Micropore Structure Determination of Carbon-Fiber Composite Molecular Sieves

    SciTech Connect

    Jagtoyen, M.

    1995-01-01

    levels of burnoff above about 40%, the extent of contraction is sufficient to produce stresses that result in fracture. Activated composites have been evaluated for the separation of CH{sub 4}-CO{sub 2} mixtures, and an apparatus has been constructed specifically for this purpose. Samples activated to low burn-off (5-7% wt loss) with low surface areas (from 300-500m{sup 2}/g) give much better separation of CO{sub 2} and CH{sub 4}, than samples produced at higher burnoff, and there appears to be no benefit in producing composites at burnoffs higher than 10%. The greater separation efficiency obtained at low burnoff means that the most effective CFCMS can be produced at relatively low cost. Continuing work will attempt to define the parameters that influence this gas separation, and whether these are applicable to other gas mixtures. Five samples of CFCMS have been recently prepared for shipment to British Oxygen Corporation (BOC) for testing as molecular sieves. The samples were machined to specific dimensions at ORNL (approx. 2.5 cm diameter x 1.25 cm thick) and activated at CAER. The samples were produced to different burn-off, but all have relatively narrow pore size distributions with average pore diameters around 6A.

  2. Mixed Matrix Carbon Molecular Sieve and Alumina (CMS-Al2O3) Membranes

    PubMed Central

    Song, Yingjun; Wang, David K.; Birkett, Greg; Martens, Wayde; Duke, Mikel C.; Smart, Simon; Diniz da Costa, João C.

    2016-01-01

    This work shows mixed matrix inorganic membranes prepared by the vacuum-assisted impregnation method, where phenolic resin precursors filled the pore of α-alumina substrates. Upon carbonisation, the phenolic resin decomposed into several fragments derived from the backbone of the resin matrix. The final stages of decomposition (>650 °C) led to a formation of carbon molecular sieve (CMS) structures, reaching the lowest average pore sizes of ~5 Å at carbonisation temperatures of 700 °C. The combination of vacuum-assisted impregnation and carbonisation led to the formation of mixed matrix of CMS and α-alumina particles (CMS-Al2O3) in a single membrane. These membranes were tested for pervaporative desalination and gave very high water fluxes of up to 25 kg m−2 h−1 for seawater (NaCl 3.5 wt%) at 75 °C. Salt rejection was also very high varying between 93–99% depending on temperature and feed salt concentration. Interestingly, the water fluxes remained almost constant and were not affected as feed salt concentration increased from 0.3, 1 and 3.5 wt%. PMID:27469389

  3. CIT-7, a crystalline, molecular sieve with pores bounded by 8 and 10-membered rings

    SciTech Connect

    Schmidt, Joel E.; Xie, Dan; Rea, Thomas; Davis, Mark E.

    2015-01-23

    A new crystalline molecular sieve, denoted CIT-7, is synthesized using an imidazolium-based diquaternary organic structure directing agent (OSDA). The framework structure is determined from a combination of rotation electron diffraction and synchrotron X-ray powder diffraction data. The structure has 10 crystallographically unique tetrahedral atoms (T-atoms) in the unit cell, and can be described as an ordered arrangement of the [425462] mtw building unit and a previously unreported [4452] building unit. The framework contains a 2-dimensional pore system that is bounded by 10 T-atom rings (10-ring, 5.1 Å × 6.2 Å opening) that are connected with oval 8-rings (2.9 Å × 5.5 Å opening) through medium-sized cavities (~7.9 Å) at the channel intersections. CIT-7 can be synthesized over a broad range of compositions including pure-silica and heteroatom, e.g., aluminosilicate and titanosilicate, containing variants.

  4. CIT-7, a crystalline, molecular sieve with pores bounded by 8 and 10-membered rings

    DOE PAGESBeta

    Schmidt, Joel E.; Xie, Dan; Rea, Thomas; Davis, Mark E.

    2015-01-23

    A new crystalline molecular sieve, denoted CIT-7, is synthesized using an imidazolium-based diquaternary organic structure directing agent (OSDA). The framework structure is determined from a combination of rotation electron diffraction and synchrotron X-ray powder diffraction data. The structure has 10 crystallographically unique tetrahedral atoms (T-atoms) in the unit cell, and can be described as an ordered arrangement of the [425462] mtw building unit and a previously unreported [4452] building unit. The framework contains a 2-dimensional pore system that is bounded by 10 T-atom rings (10-ring, 5.1 Å × 6.2 Å opening) that are connected with oval 8-rings (2.9 Å ×more » 5.5 Å opening) through medium-sized cavities (~7.9 Å) at the channel intersections. CIT-7 can be synthesized over a broad range of compositions including pure-silica and heteroatom, e.g., aluminosilicate and titanosilicate, containing variants.« less

  5. Passive CO{sub 2} removal using a carbon fiber composite molecular sieve

    SciTech Connect

    Burchell, T.D.; Judkins, R.R.

    1995-12-01

    Manufacture and characterization of a carbon fiber composite molecular sieve (CFCMS), and its efficacy as a CO{sub 2} gas adsorbent are reported. The CFCMS consists of an isotropic pitch derived carbon fiber and a phenolic resin derived carbon binder. Activation (selective gasification) of the CFCMS creates microporosity in the carbon fibers, yielding high micropore volumes (>0.5 cm{sup 3}/g) and BET surface areas (>1000 m{sup 2}/g). Moreover, the CFCMS material is a rigid, strong, monolith with an open structure that allows the free-flow of fluids through the material. This combination of properties provides an adsorbent material that has several distinct advantages over granular adsorbents in gas separation systems such as pressure swing adsorption (PSA) units. The results of our initial evaluations of the CO{sub 2} adsorption capacity and kinetics of CFCMS are reported. The room temperature CO{sub 2} adsorption capacity of CFCMS is >120 mg of CO{sub 2} per g of CFCMS. A proposed project is described that targets the development, over a three-year period, of a demonstration separation system based on CFCMS for the removal of CO{sub 2} from a flue gas slip stream at a coal-fired power plant. The proposed program would be conducted jointly with industrial and utility partners.

  6. Covalent anchoring of chloroperoxidase and glucose oxidase on the mesoporous molecular sieve SBA-15.

    PubMed

    Jung, Dirk; Streb, Carsten; Hartmann, Martin

    2010-01-01

    Functionalization of porous solids plays an important role in many areas, including heterogeneous catalysis and enzyme immobilization. In this study, large-pore ordered mesoporous SBA-15 molecular sieves were synthesized with tetraethyl orthosilicate (TEOS) in the presence of the non-ionic triblock co-polymer Pluronic P123 under acidic conditions. These materials were grafted with 3-aminopropyltrimethoxysilane (ATS), 3-glycidoxypropyltrimethoxysilane (GTS) and with 3-aminopropyltrimethoxysilane and glutaraldehyde (GA-ATS) in order to provide covalent anchoring points for enzymes. The samples were characterized by nitrogen adsorption, powder X-ray diffraction, solid-state NMR spectroscopy, elemental analysis, diffuse reflectance fourier transform infrared spectroscopy and diffuse reflectance UV/Vis spectroscopy. The obtained grafted materials were then used for the immobilization of chloroperoxidase (CPO) and glucose oxidase (GOx) and the resulting biocatalysts were tested in the oxidation of indole. It is found that enzymes anchored to the mesoporous host by the organic moieties can be stored for weeks without losing their activity. Furthermore, the covalently linked enzymes are shown to be less prone to leaching than the physically adsorbed enzymes, as tested in a fixed-bed reactor under continuous operation conditions. PMID:20386667

  7. Adsorbate shape selectivity: Separation of the HF/134a azeotrope over carbogenic molecular sieve

    SciTech Connect

    Hong, A.; Mariwala, R.K.; Kane, M.S.; Foley, H.C.

    1995-03-01

    Experimental evidence is provided for adsorptive shape selectivity in the separation of the azeotrope between HF and 1,1,1,2-tetrafluoroethane (134a) over pyrolyzed poly(furfuryl alcohol)-derived carbogenic molecular sieve (PPFA-CMS). The separation can be accomplished over coconut charcoal or Carbosieve G on the basis of the differences in the extent of equilibrium adsorption of HF and 134a. On these adsorbents 134a is more strongly bound than HF, thus it elutes much more slowly from the bed. The heat of adsorption for 134a in the vicinity of 200 C on Carbosieve G is {approximately}8.8 kcal/mol. In contrast, when the same azeotropic mixture is separated over PPFA-CMS prepared at 500 C, 134a is not adsorbed. As a result 134a elutes from the bed first, followed by HF. The reversal is brought about by the narrower pore size and pore size distribution of the PPFA-CMS versus that for Carbosieve G. Thus the separation over PPFA-CMS is an example of adsorbate shape selectivity and represents a limiting case of kinetic separation.

  8. Mixed Matrix Carbon Molecular Sieve and Alumina (CMS-Al2O3) Membranes.

    PubMed

    Song, Yingjun; Wang, David K; Birkett, Greg; Martens, Wayde; Duke, Mikel C; Smart, Simon; Diniz da Costa, João C

    2016-01-01

    This work shows mixed matrix inorganic membranes prepared by the vacuum-assisted impregnation method, where phenolic resin precursors filled the pore of α-alumina substrates. Upon carbonisation, the phenolic resin decomposed into several fragments derived from the backbone of the resin matrix. The final stages of decomposition (>650 °C) led to a formation of carbon molecular sieve (CMS) structures, reaching the lowest average pore sizes of ~5 Å at carbonisation temperatures of 700 °C. The combination of vacuum-assisted impregnation and carbonisation led to the formation of mixed matrix of CMS and α-alumina particles (CMS-Al2O3) in a single membrane. These membranes were tested for pervaporative desalination and gave very high water fluxes of up to 25 kg m(-2) h(-1) for seawater (NaCl 3.5 wt%) at 75 °C. Salt rejection was also very high varying between 93-99% depending on temperature and feed salt concentration. Interestingly, the water fluxes remained almost constant and were not affected as feed salt concentration increased from 0.3, 1 and 3.5 wt%. PMID:27469389

  9. Studies of oxygen species in synthetic Todorokite-like manganese oxide octahedral molecular sieves

    SciTech Connect

    Yin, Yuan-Gen; Xu, Wen-Qing; Shen, Yan-Fei; Suib, S.L. ); O'Young, C.L. )

    1994-10-01

    Manganese oxide octahedral molecular sieves of 3 x 3 tunnel structure (OMS-1) doped with various cations possess high thermal stability and were studied by means of temperature-programmed desorption and reduction by H[sub 2] and CO. Different oxygen species can be discerned according to their peak positions in the temperature-programmed desorption and reduction and assigned to chemisorbed dioxygen, oxygen atoms bound to Mn[sup 2+], and those bound to Mn[sup 4+] ions in the framework. Differences in peak positions and availabilities of these species during TPD and TPR can be explained by creation of nascent Mn[sup 2+] ions during TPR. The effects of doping cations on the reactivity and availability of these oxygen species are demonstrated to be more pronounced in TPR in H[sub 2] or CO than in TPD. In some instances, the trends of changes in reactivity and availability of the oxygen species due to doping of Cu[sup 2+], Ni[sup 2+], Zn[sup 2+], and Mg[sup 2+] correlated with the changes in the heat of formation of oxides of these cations. Temperature-programmed reactions with methane show some reactivity of these doped OMS-1 materials. Pulse reactions with CO show higher reactivity of Cu-doped OM-1 than with butane. However, the recovery of Cu-doped OMS-1 by reoxidation with oxygen pulses seems rather incomplete at the same temperature. 27 refs., 9 figs.

  10. Mixed Matrix Carbon Molecular Sieve and Alumina (CMS-Al2O3) Membranes

    NASA Astrophysics Data System (ADS)

    Song, Yingjun; Wang, David K.; Birkett, Greg; Martens, Wayde; Duke, Mikel C.; Smart, Simon; Diniz da Costa, João C.

    2016-07-01

    This work shows mixed matrix inorganic membranes prepared by the vacuum-assisted impregnation method, where phenolic resin precursors filled the pore of α-alumina substrates. Upon carbonisation, the phenolic resin decomposed into several fragments derived from the backbone of the resin matrix. The final stages of decomposition (>650 °C) led to a formation of carbon molecular sieve (CMS) structures, reaching the lowest average pore sizes of ~5 Å at carbonisation temperatures of 700 °C. The combination of vacuum-assisted impregnation and carbonisation led to the formation of mixed matrix of CMS and α-alumina particles (CMS-Al2O3) in a single membrane. These membranes were tested for pervaporative desalination and gave very high water fluxes of up to 25 kg m‑2 h‑1 for seawater (NaCl 3.5 wt%) at 75 °C. Salt rejection was also very high varying between 93–99% depending on temperature and feed salt concentration. Interestingly, the water fluxes remained almost constant and were not affected as feed salt concentration increased from 0.3, 1 and 3.5 wt%.

  11. The parasitophorous vacuole membrane surrounding intracellular Toxoplasma gondii functions as a molecular sieve.

    PubMed

    Schwab, J C; Beckers, C J; Joiner, K A

    1994-01-18

    The obligate intracellular protozoan parasite Toxoplasma gondii creates and enters into a unique membrane-bounded cytoplasmic compartment, the parasitophorous vacuole, when invading mammalian host cells. By microinjecting polar fluorescent molecules into individual T. gondii-infected fibroblasts, we show here that the parasitophorous vacuole membrane (PVM) surrounding the parasite functions as a molecular sieve. Lucifer yellow (457 Da) displayed free bidirectional flux across the PVM and distinctly outlined the parasites, which did not take up the dye, within the vacuole. This dye movement was not appreciably delayed by pretreatment of cells with 5 mM probenecid or chilling the monolayer to 5 degrees C, suggesting that dye movement was due to passive permeation through a membrane pore rather than active transport. Calcein, fluo-3, and a series of fluorescein isothiocyanate-labeled peptides up to 1291 Da crossed the PVM in a size-restricted fashion. A labeled peptide of 1926 Da and labeled dextrans and proteins (> or = 3000 Da) failed to transit the PVM. This putative channel in the PVM therefore allows exchange of molecules up to 1300-1900 Da between the host cell cytoplasm and the parasitophorous vacuolar space. PMID:8290555

  12. Identification of tetrahedrally ordered Si-O-Al environments in molecular sieves by { 27Al}- 29Si REAPDOR NMR

    NASA Astrophysics Data System (ADS)

    Ganapathy, S.; Kumar, Rajiv; Montouillout, V.; Fernandez, C.; Amoureux, J. P.

    2004-05-01

    The silicon sites tetrahedrally connected to aluminum in framework positions of a molecular sieve may be identified by a selective reintroduction of the hetero-nuclear 27Al- 29Si dipolar interaction through Rotational Echo Adiabatic Passage DOuble Resonance (REAPDOR) NMR. In this rotor synchronized 29Si MAS experiment, an effective dipolar dephasing of the Si-O-Al, over Si-O-Si, environments is shown to aid in the identification of silicon sites in the immediate vicinity of aluminum. Application of the method in the structurally interesting and novel molecular sieve ETAS-10 provides valuable insights on the details of aluminum substitution in the zeolite lattice and further leads to the first direct NMR estimate of Al-Si distance ( rAl-Si=323±5 pm) in ETAS-10.

  13. Zeolitic Imidazolate Framework/Graphene Oxide Hybrid Nanosheets as Seeds for the Growth of Ultrathin Molecular Sieving Membranes.

    PubMed

    Hu, Yaoxin; Wei, Jing; Liang, Yan; Zhang, Huacheng; Zhang, Xiwang; Shen, Wei; Wang, Huanting

    2016-02-01

    A defect-free zeolitic imidazolate framework-8 (ZIF-8)/graphene oxide (GO) membrane with a thickness of 100 nm was prepared using two-dimensional (2D) ZIF-8/GO hybrid nanosheets as seeds. Hybrid nanosheets with a suitable amount of ZIF-8 nanocrystals were essential for producing a uniform seeding layer that facilitates fast crystal intergrowth during membrane formation. Moreover, the seeding layer acts as a barrier between two different synthesis solutions, and self-limits crystal growth and effectively eliminates defects during the contra-diffusion process. The resulting ultrathin membranes show excellent molecular sieving gas separation properties, such as with a high CO2 /N2 selectivity of 7.0. This 2D nano-hybrid seeding strategy can be readily extended to the fabrication of other defect-free and ultrathin MOF or zeolite molecular sieving membranes for a wide range of separation applications. PMID:26710246

  14. The reversible transition of the molecular sieve VPI-5 into ALPO -84 and the structure of ALPO -84

    NASA Astrophysics Data System (ADS)

    Vogt, Eelco T. C.; Richardson, James W.

    1990-08-01

    In this letter we describe the reversibility of the recrystallization of the aluminophosphate molecular sieve VPI-5 to ALPO -84, and the structure of ALPO -84. VPI-5 is known to contain one-dimensional circular pores circumscribed by 18 tetrahedral atoms. Upon heating in the presence of moisture it is known to recrystallize to ALPO -84. This transition now proves to be reversible. Although phase transitions of aluminophosphate molecular sieves have been described, this is the first report of such a transition being reversible. ALPO -84 is found to contain one-dimensional elliptical pores, with free diameters of 7.5 to 9.5 Å circumscribed by 14 tetrahedral atoms. This new pore system thus contains one of the largest openings described so far, second only to VPI-5.

  15. [Synergetic effects of silicon carbide and molecular sieve loaded catalyst on microwave assisted catalytic oxidation of toluene].

    PubMed

    Wang, Xiao-Hui; Bo, Long-Li; Liu, Hai-Nan; Zhang, Hao; Sun, Jian-Yu; Yang, Li; Cai, Li-Dong

    2013-06-01

    Molecular sieve loaded catalyst was prepared by impregnation method, microwave-absorbing material silicon carbide and the catalyst were investigated for catalytic oxidation of toluene by microwave irradiation. Research work examined effects of silicon carbide and molecular sieve loading Cu-V catalyst's mixture ratio as well as mixed approach changes on degradation of toluene, and characteristics of catalyst were measured through scanning electron microscope, specific surface area test and X-ray diffraction analysis. The result showed that the fixed bed reactor had advantages of both thermal storage property and low-temperature catalytic oxidation when 20% silicon carbide was filled at the bottom of the reactor, and this could effectively improve the utilization of microwave energy as well as catalytic oxidation efficiency of toluene. Under microwave power of 75 W and 47 W, complete-combustion temperatures of molecular sieve loaded Cu-V catalyst and Cu-V-Ce catalyst to toluene were 325 degrees C and 160 degrees C, respectively. Characteristics of the catalysts showed that mixture of rare-earth element Ce increased the dispersion of active components in the surface of catalyst, micropore structure of catalyst effectively guaranteed high adsorption capacity for toluene, while amorphous phase of Cu and V oxides increased the activity of catalyst greatly. PMID:23947020

  16. Activation and micropore structure determination of carbon-fiber composite molecular sieves. Topical report, 30 March 1994--14 April 1995

    SciTech Connect

    Jagtoyen, M.; Derbyshire, F.; Kimber, G.; Fei, You Qing

    1995-05-19

    Progress in developing novel, rigid, monolithic adsorbent carbon fiber composites is described. Carbon fiber composites are activated using steam or CO{sub 2}, in order to produce uniform activation through the material and to control the pore structure and adsorptive properties. There is an overall shrinkage during activation, which is directly correlated with burnoff; burnoff above 40% results in fracture. Burnoffs higher than 10% does not produce any benefit for separation of CH{sub 4}-CO{sub 2} mixtures. Five samples of CFCMS have been prepared for testing as molecular sieves; all have relatively narrow pore size distributions with average pore diameters around 6A.

  17. Effects of octahedral molecular sieve on treatment performance, microbial metabolism, and microbial community in expanded granular sludge bed reactor.

    PubMed

    Pan, Fei; Xu, Aihua; Xia, Dongsheng; Yu, Yang; Chen, Guo; Meyer, Melissa; Zhao, Dongye; Huang, Ching-Hua; Wu, Qihang; Fu, Jie

    2015-12-15

    This study evaluated the effects of synthesized octahedral molecular sieve (OMS-2) nanoparticles on the anaerobic microbial community in a model digester, expanded granular sludge bed (EGSB) reactor. The addition of OMS-2 (0.025 g/L) in the EGSB reactors resulted in an enhanced operational performance, i.e., COD removal and biogas production increased by 4% and 11% respectively, and effluent volatile fatty acid (VFA) decreased by 11% relative to the control group. The Biolog EcoPlate™ test was employed to investigate microbial metabolism in the EGSB reactors. Results showed that OMS-2 not only increased the microbial metabolic level but also significantly changed the community level physiological profiling of the microorganisms. The Illumina MiSeq high-throughput sequencing of 16S rRNA gene indicated OMS-2 enhanced the microbial diversity and altered the community structure. The largest bacterial genus Lactococcus, a lactic acid bacterium, reduced from 29.3% to 20.4% by abundance in the presence of 0.25 g/L OMS-2, which may be conducive to decreasing the VFA production and increasing the microbial diversity. OMS-2 also increased the quantities of acetogenic bacteria and Archaea, and promoted the acetogenesis and methanogenesis. The X-ray photoelectron spectroscopy illustrated that Mn(IV)/Mn(III) with high redox potential in OMS-2 were reduced to Mn(II) in the EGSB reactors; this in turn affected the microbial community. PMID:26397455

  18. Catalyzing the oxidation of sulfamethoxazole by permanganate using molecular sieves supported ruthenium nanoparticles.

    PubMed

    Zhang, Jing; Sun, Bo; Huang, Yuying; Guan, Xiaohong

    2015-12-01

    This study developed a heterogeneous catalytic permanganate oxidation system with three molecular sieves, i.e., nanosized ZSM-5 (ZSM-5A), microsized ZSM-5 (ZSM-5B) and MCM-41, supported ruthenium nanoparticles as catalyst, denoted as Ru/ZSM-5A, Ru/ZSM-5B and Ru/MCM-41, respectively. The presence of 0.5gL(-1) Ru/ZSM-5A, Ru/ZSM-5B and Ru/MCM-41 increased the oxidation rate of sulfamethoxazole (SMX) by permanganate at pH 7.0 by 27-1144 times. The catalytic performance of Ru catalysts toward SMX oxidation by permanganate was strongly dependent on Ru loading on the catalysts. The X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) analyses confirmed that Ru catalyst acted as an electron shuttle in catalytic permanganate oxidation process. Ru(III) deposited on the surface of catalysts was oxidized by permanganate to its higher oxidation state Ru(VII), which could work as a co-oxidant with permanganate to decompose SMX and was then reduced to its initial tri-valence. During the successive runs, Ru/ZSM-5A could not maintain its catalytic activity due to the deposition of MnO2, which was the reductive product of permanganate, onto the surface of Ru/ZSM-5A. Thus, the regeneration of partially deactivated Ru catalysts by reductant NH2OH⋅HCl or ascorbic acid was proposed. Ru/ZSM-5A regenerated by NH2OH⋅HCl displayed comparable catalytic ability to its virgin counterpart, while ascorbic acid could not completely remove the deposited MnO2. A trace amount of leaching of Ru into the reaction solution was also observed, which would be ameliorated by improving the preparation conditions in the future study. PMID:26196405

  19. In situ microscopy reveals reversible cell wall swelling in kelp sieve tubes: one mechanism for turgor generation and flow control?

    PubMed

    Knoblauch, Jan; Tepler Drobnitch, Sarah; Peters, Winfried S; Knoblauch, Michael

    2016-08-01

    Kelps, brown algae (Phaeophyceae) of the order Laminariales, possess sieve tubes for the symplasmic long-distance transport of photoassimilates that are evolutionarily unrelated but structurally similar to the tubes in the phloem of vascular plants. We visualized sieve tube structure and wound responses in fully functional, intact Bull Kelp (Nereocystis luetkeana [K. Mertens] Postels & Ruprecht 1840). In injured tubes, apparent slime plugs formed but were unlikely to cause sieve tube occlusion as they assembled at the downstream side of sieve plates. Cell walls expanded massively in the radial direction, reducing the volume of the wounded sieve elements by up to 90%. Ultrastructural examination showed that a layer of the immediate cell wall characterized by circumferential cellulose fibrils was responsible for swelling and suggested that alginates, abundant gelatinous polymers of the cell wall matrix, were involved. Wall swelling was rapid, reversible and depended on intracellular pressure, as demonstrated by pressure-injection of silicon oil. Our results revive the concept of turgor generation and buffering by swelling cell walls, which had fallen into oblivion over the last century. Because sieve tube transport is pressure-driven and controlled physically by tube diameter, a regulatory role of wall swelling in photoassimilate distribution is implied in kelps. PMID:26991892

  20. Quality Control of Trichinella Testing at the Slaughterhouse Laboratory: Evaluation of the Use of a 400-Micrometer-Mesh-Size Sieve in the Magnetic Stirrer Method.

    PubMed

    Franssen, Frits; van Andel, Esther; Swart, Arno; van der Giessen, Joke

    2016-02-01

    The performance of a 400-μm-mesh-size sieve (sieve400) has not previously been compared with that of a 180-μm-mesh-size sieve (sieve180). Using pork samples spiked with 0 to 10 Trichinella muscle larvae and an artificial digestion method, sieve performance was evaluated for control of Trichinella in meat-producing animals. The use of a sieve400 resulted in 12% lower larval counts, 147% more debris, and 28% longer counting times compared with the use of a sieve180. Although no false-negative results were obtained, prolonged counting times with the sieve400 may have an impact on performance in a high-throughput environment such as a slaughterhouse laboratory. Based on our results, the sieve180 remains the sieve of choice for Trichinella control in meat in slaughterhouse laboratories, according to the European Union reference method (European Commission regulation 2075/2005). Furthermore, the results of the present study contribute to the discussion of harmonization of meat inspection requirements among countries. PMID:26818995

  1. 13C NMR of methane in an AlPO4-11 molecular sieve: Exchange effects and shielding anisotropy

    NASA Astrophysics Data System (ADS)

    Koskela, Tuomas; Ylihautala, Mika; Jokisaari, Jukka; Vaara, Juha

    1998-12-01

    13C NMR spectra of 13CH4 in an AlPO4-11 molecular sieve reveal exchange effects between adsorbed and nonadsorbed methane gas. An application of pulsed field gradients is introduced to decrease nonadsorbed and exchanging gas signals in order to extract the chemical shift anisotropy line shape of the adsorbed gas. The resulting 13C shielding anisotropy of methane is compared to existing value for methane in related SAPO-11 material. Less anisotropic shielding is observed in AlPO4-11, most likely due to the lack of charge-compensating cations.

  2. Exploring molecular sieve capabilities of activated carbon fibers to reduce the impact of NOM preloading on trichloroethylene adsorption

    SciTech Connect

    Tanju Karanfil; Seyed A. Dastgheib; Dina Mauldin

    2006-02-15

    Adsorption of trichloroethylene (TCE) by two activated carbon fibers ACF10 and ACF20H and two granular activated carbons, coal-based F400 and Macro preloaded with hydrophobic and transphilic fractions of natural organic matter (NOM) was examined. ACF10, the most microporous activated carbon used in this study, had over 90% of its pore volume in pores smaller than 10 {angstrom}. It also had the highest volume in pores 5-8 {angstrom}, which is the optimum pore size region for TCE adsorption, among the four activated carbons. Adsorption of NOM fractions by ACF10 was, in general, negligible. Therefore, ACF10, functioning as a molecular sieve during preloading, exhibited the least NOM uptake for each fraction, and subsequently the highest TCE adsorption. The other three sorbents had wider pore size distributions, including high volumes in pores larger than 10 {angstrom}, where NOM molecules can adsorb. As a result, they showed a higher degree of uptake for all NOM fractions, and subsequently lower adsorption capacities for TCE, as compared to ACF10. The results obtained in this study showed that understanding the interplay between the optimum pore size region for the adsorption of target synthetic organic contaminant (SOC) and the pore size region for the adsorption of NOM molecules is important for controlling NOM-SOC competitions. Experiments with different NOM fractions indicated that the degree of NOM loading is important in terms of preloading effects; however the way that the carbon pores are filled and loaded by different NOM fractions can be different and may create an additional negative impact on TCE adsorption. 40 refs., 3 figs., 2 tabs.

  3. N-methyldiethanolamine: a multifunctional structure-directing agent for the synthesis of SAPO and AlPO molecular sieves.

    PubMed

    Wang, Dehua; Tian, Peng; Fan, Dong; Yang, Miao; Gao, Beibei; Qiao, Yuyan; Wang, Chan; Liu, Zhongmin

    2015-05-01

    In the present study, N-methyldiethanolamine (MDEA) is demonstrated to be a multifunctional structure-directing agent for the synthesis of aluminophosphate-based molecular sieves. Four types of molecular sieves, including SAPO-34, -35, AlPO-9 and -22, are for the first time acquired with MDEA as a novel template. The phase selectivity of the present synthesis is found to be condition-dependent. SAPO-34 (CHA) crystallizes from a conventional hydrothermal system with a higher MDEA concentration. When using MDEA as both the template and solvent, pure SAPO-35 (LEV) is obtained from the synthetic gel with a high P2O5/Al2O3 ratio of (2-3), in which the concentration of MDEA could be varied in a wide range. AlPO-9 and AlPO-22 (AWW) are synthesized under the similar conditions to SAPO-35, except without the addition of Si source. The physicochemical properties of the obtained samples are investigated by XRD, XRF, SEM, N2 physisorption, TG-DSC, and various NMR spectra ((13)C, (29)Si, (27)Al and (31)P). Both SAPO-34 and SAPO-35 show good thermal stability, large surface area, and high pore volume. The catalytic performance of SAPO-34 is evaluated by the methanol-to-olefins (MTO) reaction and a good (C2H4+C3H6) selectivity of 82.7% has been achieved. PMID:25616250

  4. Time-Dependent CO[subscript 2] Sorption Hysteresis in a One-Dimensional Microporous Octahedral Molecular Sieve

    SciTech Connect

    Espinal, Laura; Wong-Ng, Winnie; Kaduk, James A.; Allen, Andrew J.; Snyder, Chad R.; Chiu, Chun; Siderius, Daniel W.; Li, Lan; Cockayne, Eric; Espinal, Anais E.; Suib, Steven L.

    2014-09-24

    The development of sorbents for next-generation CO{sub 2} mitigation technologies will require better understanding of CO{sub 2}/sorbent interactions. Among the sorbents under consideration are shape-selective microporous molecular sieves with hierarchical pore morphologies of reduced dimensionality. We have characterized the non-equilibrium CO{sub 2} sorption of OMS-2, a well-known one-dimensional microporous octahedral molecular sieve with manganese oxide framework. Remarkably, we find that the degree of CO{sub 2} sorption hysteresis increases when the gas/sorbent system is allowed to equilibrate for longer times at each pressure step. Density functional theory calculations indicate a 'gate-keeping' role of the cation in the tunnel, only allowing CO{sub 2} molecules to enter fully into the tunnel via a highly unstable transient state when CO{sub 2} loadings exceed 0.75 mmol/g. The energy barrier associated with the gate-keeping effect suggests an adsorption mechanism in which kinetic trapping of CO{sub 2} is responsible for the observed hysteretic behavior.

  5. Spray-dried powders enhance vaginal siRNA delivery by potentially modulating the mucus molecular sieve structure

    PubMed Central

    Wu, Na; Zhang, Xinxin; Li, Feifei; Zhang, Tao; Gan, Yong; Li, Juan

    2015-01-01

    Vaginal small interfering RNA (siRNA) delivery provides a promising strategy for the prevention and treatment of vaginal diseases. However, the densely cross-linked mucus layer on the vaginal wall severely restricts nanoparticle-mediated siRNA delivery to the vaginal epithelium. In order to overcome this barrier and enhance vaginal mucus penetration, we prepared spray-dried powders containing siRNA-loaded nanoparticles. Powders with Pluronic F127 (F127), hydroxypropyl methyl cellulose (HPMC), and mannitol as carriers were obtained using an ultrasound-assisted spray-drying technique. Highly dispersed dry powders with diameters of 5–15 μm were produced. These powders showed effective siRNA protection and sustained release. The mucus-penetrating properties of the powders differed depending on their compositions. They exhibited different potential of opening mesh size of molecular sieve in simulated vaginal mucus system. A powder formulation with 0.6% F127 and 0.1% HPMC produced the maximum increase in the pore size of the model gel used to simulate vaginal mucus by rapidly extracting water from the gel and interacting with the gel; the resulting modulation of the molecular sieve effect achieved a 17.8-fold improvement of siRNA delivery in vaginal tract and effective siRNA delivery to the epithelium. This study suggests that powder formulations with optimized compositions have the potential to alter the steric barrier posed by mucus and hold promise for effective vaginal siRNA delivery. PMID:26347257

  6. Formation of hydroxyl-functionalized stilbenoid molecular sieves at the liquid/solid interface on top of a 1-decanol monolayer

    NASA Astrophysics Data System (ADS)

    Bellec, Amandine; Arrigoni, Claire; Douillard, Ludovic; Fiorini-Debuisschert, Céline; Mathevet, Fabrice; Kreher, David; Attias, André-Jean; Charra, Fabrice

    2014-10-01

    Specific molecular tectons can be designed to form molecular sieves through self-assembly at the solid-liquid interface. After demonstrating a model tecton bearing apolar alkyl chains, we then focus on a modified structure involving asymmetric functionalization of some alkyl chains with polar hydroxyl groups in order to get chemical selectivity in the sieving. As the formation of supramolecular self-assembled networks strongly depends on molecule-molecule, molecule-substrate and molecule-solvent interactions, we compared the tectons’ self-assembly on graphite for two types of solvent. We demonstrate the possibility to create hydroxylated stilbenoid molecular sieves by using 1-decanol as a solvent. Interestingly, with this solvent, the porous network is developed on top of a 1-decanol monolayer.

  7. In situ solid-state NMR studies of the catalytic conversion of methanol on the molecular sieve SAPO-34

    SciTech Connect

    Anderson, M.W.; Sulikowski, B.; Barrie, P.J.; Klinowski, J. )

    1990-04-05

    We have monitored the shape-selective catalytic conversion of methanol (MeOH) to low-molecular-weight olefins and aliphatics over the molecular sieve SAPO-34 using {sup 13}C and {sup 1}H magic-angle-spinning (MAS) NMR in tandem with gas chromatography. The size of the eight-membered windows in the structure limits the gas-phase products to linear C{sub 1}, C{sub 2}, and C{sub 3} species. However, the main species present in the intracrystalline space are branched C{sub 4} and C{sub 5} saturated hydrocarbons such as isobutane and isopentane: too large to leave the intracrystalline pore system they become trapped, thus imposing an additional steric constraint on the diffusion of linear hydrocarbons.

  8. Carbon Molecular Sieve Membrane as a True One Box Unit for Large Scale Hydrogen Production

    SciTech Connect

    Liu, Paul

    2012-05-01

    IGCC coal-fired power plants show promise for environmentally-benign power generation. In these plants coal is gasified to syngas then processed in a water gas-shift (WGS) reactor to maximize the hydrogen/CO{sub 2} content. The gas stream can then be separated into a hydrogen rich stream for power generation and/or further purified for sale as a chemical and a CO{sub 2} rich stream for the purpose of carbon capture and storage (CCS). Today, the separation is accomplished using conventional absorption/desorption processes with post CO{sub 2} compression. However, significant process complexity and energy penalties accrue with this approach, accounting for ~20% of the capital cost and ~27% parasitic energy consumption. Ideally, a one-box process is preferred in which the syngas is fed directly to the WGS reactor without gas pre-treatment, converting the CO to hydrogen in the presence of H{sub 2}S and other impurities and delivering a clean hydrogen product for power generation or other uses. The development of such a process is the primary goal of this project. Our proposed "one-box" process includes a catalytic membrane reactor (MR) that makes use of a hydrogen-selective, carbon molecular sieve (CMS) membrane, and a sulfur-tolerant Co/Mo/Al{sub 2}O{sub 3} catalyst. The membrane reactor's behavior has been investigated with a bench top unit for different experimental conditions and compared with the modeling results. The model is used to further investigate the design features of the proposed process. CO conversion >99% and hydrogen recovery >90% are feasible under the operating pressures available from IGCC. More importantly, the CMS membrane has demonstrated excellent selectivity for hydrogen over H{sub 2}S (>100), and shown no flux loss in the presence of a synthetic "tar"-like material, i.e., naphthalene. In summary, the proposed "one-box" process has been successfully demonstrated with the bench-top reactor. In parallel we have successfully designed and

  9. Mathematical model and calculation algorithm of micro and meso levels of separation process of gaseous mixtures in molecular sieves

    SciTech Connect

    Umarova, Zhanat; Botayeva, Saule; Yegenova, Aliya; Usenova, Aisaule

    2015-05-15

    In the given article, the main thermodynamic aspects of the issue of modeling diffusion transfer in molecular sieves have been formulated. Dissipation function is used as a basic notion. The differential equation, connecting volume flow with the change of the concentration of catchable component has been derived. As a result, the expression for changing the concentration of the catchable component and the coefficient of membrane detecting has been received. As well, the system approach to describing the process of gases separation in ultra porous membranes has been realized and micro and meso-levels of mathematical modeling have been distinguished. The non-ideality of the shared system is primarily taken into consideration at the micro-level and the departure from the diffusion law of Fick has been taken into account. The calculation method of selectivity considering fractal structure of membranes has been developed at the meso level. The calculation algorithm and its software implementation have been suggested.

  10. Mathematical model and calculation algorithm of micro and meso levels of separation process of gaseous mixtures in molecular sieves

    NASA Astrophysics Data System (ADS)

    Umarova, Zhanat; Botayeva, Saule; Yegenova, Aliya; Usenova, Aisaule

    2015-05-01

    In the given article, the main thermodynamic aspects of the issue of modeling diffusion transfer in molecular sieves have been formulated. Dissipation function is used as a basic notion. The differential equation, connecting volume flow with the change of the concentration of catchable component has been derived. As a result, the expression for changing the concentration of the catchable component and the coefficient of membrane detecting has been received. As well, the system approach to describing the process of gases separation in ultra porous membranes has been realized and micro and meso-levels of mathematical modeling have been distinguished. The non-ideality of the shared system is primarily taken into consideration at the micro-level and the departure from the diffusion law of Fick has been taken into account. The calculation method of selectivity considering fractal structure of membranes has been developed at the meso level. The calculation algorithm and its software implementation have been suggested.

  11. Synthesis of an extra-large molecular sieve using proton sponges as organic structure-directing agents

    PubMed Central

    Martínez-Franco, Raquel; Moliner, Manuel; Yun, Yifeng; Sun, Junliang; Wan, Wei; Zou, Xiaodong; Corma, Avelino

    2013-01-01

    The synthesis of crystalline microporous materials containing large pores is in high demand by industry, especially for the use of these materials as catalysts in chemical processes involving bulky molecules. An extra-large–pore silicoaluminophosphate with 16-ring openings, ITQ-51, has been synthesized by the use of bulky aromatic proton sponges as organic structure-directing agents. Proton sponges show exceptional properties for directing extra-large zeolites because of their unusually high basicity combined with their large size and rigidity. This extra-large–pore material is stable after calcination, being one of the very few examples of hydrothermally stable molecular sieves containing extra-large pores. The structure of ITQ-51 was solved from submicrometer-sized crystals using the rotation electron diffraction method. Finally, several hypothetical zeolites related to ITQ-51 have been proposed. PMID:23431186

  12. Integrated Testing of a 4-Bed Molecular Sieve, Air-Cooled Temperature Swing Adsorption Compressor, and Sabatier Engineering Development Unit

    NASA Technical Reports Server (NTRS)

    Knox, James C.; Miller, Lee; Campbell, Melissa; Mulloth, Lila; Varghese, Mini

    2006-01-01

    Accumulation and subsequent compression of carbon dioxide that is removed from the space cabin are two important processes involved in a closed-loop air revitalization scheme of the International Space Station (ISS). The 4-Bed Molecular Sieve (4BMS) of ISS currently operates in an open loop mode without a compressor. The Sabatier Engineering Development Unit (EDU) processes waste CO2 to provide water to the crew. This paper reports the integrated 4BMS, air-cooled Temperature Swing Adsorption Compressor (TSAC), and Sabatier EDU testing. The TSAC prototype was developed at NASA Ames Research Center (ARC). The 4BMS was modified to a functionally flight-like condition at NASA Marshall Space Flight Center (MSFC). Testing was conducted at MSFC. The paper provides details of the TSAC operation at various CO2 loadings and corresponding performance of the 4BMS and Sabatier.

  13. Modification of molecular sieves MCM-41 and SBA-15 with covalently grafted pyromellitimide and 1,4,5,8-naphthalenediimide.

    PubMed

    Trindade, Fabiane Jesus; Rey, José Fernando Queiruga; Brochsztain, Sergio

    2012-02-15

    This article describes the covalent grafting of pyromellitimide and 1,4,5,8-naphthalenediimide, which are organic semiconductors with very interesting electro-optical properties, onto the walls of mesoporous molecular sieves. The mesoporous materials MCM-41 and SBA-15 were first treated with 3-aminopropyltriethoxysilane, generating materials with a surface coverage of primary amino groups. These materials were further reacted with either pyromellitic dianhydride or 1,4,5,8-naphthalenetetracarboxylic dianhydride, generating surface-bound pyromellitimide or 1,4,5,8-naphthalenediimide, respectively. The success of the modification reactions was confirmed by elemental and thermogravimetric analyses, X-ray diffraction patterns and infrared, reflectance and fluorescence spectroscopies. The results indicated that the mesoporous structure of the new materials was preserved after the modification reactions and that the chromophores were included inside the mesoporous channels with stacked aromatic rings. PMID:22153336

  14. Small-Pore Molecular Sieves SAPO-34 with Chabazite Structure: Theoretical Study of Silicon Incorporation and Interrelated Catalytic Activity

    NASA Astrophysics Data System (ADS)

    Wang, Hong; Lewis, James; Liu, Zhongmin

    2011-03-01

    The catalytic conversion of methonal to olefin (MTO) has attracted attention both in industrial and academic fields. Strong evidence shows that small-pore molecular sieves with certain amount silicon incorporated (SAPO) present promising high catalytic activity in MTO conversion. Using DFT, we study the structural and electronic properties of chabazite SAPO-34. Although there are extensively experimental results show that silicon incorporation does not change the overall structure as the original AlPO structure, local structural changes are still created by silicon substitution, which probably accounted for the high catalytic activity. It is noted that the catalytic activity of SAPO-34 presents increasing trend along with the silicon incorporation amount increasing and maintain a flat peak even with more silicon incorporated. Hence, there is an optimal silicon incorporation amount which possibly yields the highest catalytic MTO conversion.

  15. Laboratory test and evaluation report of the essex model 60C-0037-2 molecular sieve oxygen generating system

    NASA Astrophysics Data System (ADS)

    Squire, Brendan E.; Bruckart, James E.; Quattlebaum, Martin; Johnston, Leslie W.

    1993-06-01

    The Essex Model 60C-0037-2 Molecular Sieve Oxygen Generating System was tested for environmental and electromagnetic interference/compatibility under the U.S. Army Program for Testing and Evaluation of Equipment for Aeromedical Operations. The tests were conducted using current military and industrial standards and procedures for environmental tests and electromagnetic interference/compatibility and human factors. The Essex Model 60C-0037-2 performed properly in the test environments. The oxygen concentration produced by the unit depends on the compressed air pressure, oxygen flow, and vent pressure. A separate oxygen concentration analyzer would be required to determine the oxygen concentration for patient use. The unit produces a significant amount of noise while operating.

  16. Production of carbon molecular sieves from Illinois coal; [Quarterly] technical report, September 1, 1993--November 30, 1993

    SciTech Connect

    Lizzio, A.A.; Rostam-Abadi, M.; Vyas, S.N.

    1994-03-01

    Carbon molecular sieves (CMS) have become an increasingly important class of adsorbents for use in gas separation and recovery processes. The overall objective of this project is to determine whether Illinois Basin coal is a suitable feedstock for the production of CMS and to evaluate the potential application of these products in commercial gas separation processes. In Phase I of this project, gram quantities of char were produced from IBC-102 coal in a fixed-bed reactor under a wide range of pyrolysis and activation conditions. Chars having surface areas. of 1500--2100 m{sup 2}/g were produced by chemical activation using potassium hydroxide as the activant. These high surface area chars had more than twice the adsorption capacity of commercial molecular sieves. The kinetics of adsorption of various gases, i.e., O{sub 2}, N{sub 2}, CO{sub 2}, CH{sub 4} and H{sub 2} on these chars at 25{degree}C was studied. Several chars showed good potential for efficient O{sub 2}/N{sub 2}, CO{sub 2}/CH{sub 4}, CO{sub 2}/H{sub 2} and CH{sub 4}/H{sub 2} separation; both high adsorption capacities and selectivities were achieved. The full potential of these materials in commercial gas separations has yet to be realized. In Phase II, the optimal preparation conditions determined in Phase I will be applied to production of larger quantities of CMS in a batch fluidized-bed reactor (FBR) and continuous rotary tube kiln (RTK).

  17. Production of carbon molecular sieves from Illinois coal. Final technical report, 1 September, 1992--31 August 1993

    SciTech Connect

    Lizzio, A.A.; Rostam-Abadi, M.

    1993-12-31

    Carbon molecular sieves (CMS) have become an increasingly important class of adsorbents for use in gas separation and recovery processes. The overall objective of this project is to determine whether Illinois Basin coals are a suitable feedstock for the production of CMS and to evaluate the potential application of these products in commercial gas separation processes. In Phase 1 of this project, gram quantities of char were prepared from Illinois coal in a fixed-bed reactor under a wide range of pyrolysis and activation conditions. Chars having surface areas of 1,500--2,100 m{sup 2}/g were produced by chemical activation using potassium hydroxide (KOH) as the chemical activant. These high surface area (HSA) chars had more than twice the adsorption capacity of commercial molecular sieves. The kinetics of adsorption of various gases, e.g., O{sub 2}, N{sub 2}, CO{sub 2}, CH{sub 4}, and H{sub 2}, on these chars at 25 C was determined. Several chars showed good potential for efficient O{sub 2}/N{sub 2}, CO{sub 2}/CH{sub 4} and CH{sub 4}/H{sub 2} separation. In Phase 2 of this project, larger quantities of char are being prepared from Illinois coal in a batch fluidized-bed reactor and in a continuous rotary tube kiln. The ability of these chars to separate binary gas mixtures is tested in an adsorption column/gas chromatography system. Oxygen and nitrogen breakthrough curves obtained for selected chars were compared to those of a commercial zeolite. Selected chars were subjected to a nitric acid oxidation treatment. The air separation capability of nitric acid treated char was strongly dependent on the outgassing conditions used prior to an O{sub 2}/N{sub 2} adsorption experiment. An outgassing temperature of 130--160 C produced chars with the most favorable air separation properties. 61 refs.

  18. A novel molecular sieve supporting material for enhancing activity and stability of Ag3PO4 photocatalyst

    NASA Astrophysics Data System (ADS)

    Wu, Qiang; Wang, Peifu; Niu, Futao; Huang, Cunping; Li, Yang; Yao, Weifeng

    2016-08-01

    A small-pore silicon-substituted silicon aluminum phosphate (SAPO-34) molecular sieve, for the first time, is reported to significantly increase both the activity and life span of Ag3PO4 photocatalyst for visible-light degradation of methylene blue (MB) and rhodamine B (RhB). Results show that 60 wt.% Ag3PO4/SAPO-34 exhibits the highest photocatalytic degradation efficiencies for both MB (91.0% degradation within 2.0 min) and RhB (91.0% degradation within 7.0 min). In comparison, pure Ag3PO4 powder photocatalyst requires 8.0 min and 12.0 min for decomposing 91.0% of MB and RhB, respectively. During MB degradation the rate constant for 60 wt.% Ag3PO4/SAPO-34 increases 317.2% in comparison with the rate constant of pure Ag3PO4. This activity is also much higher than literature reported composite or supported Ag3PO4 photocatalysts. In three photocatalytic runs for the degradation of RhB, the rate constant for 60 wt.% Ag3PO4/SAPO-34 reduces from 0.33 to 0.18 min-1 (45.5% efficiency loss). In contrast, the rate constant of pure Ag3PO4 catalyst decreases from 0.2 to 0.07 min-1 (80.0% efficiency loss). All experimental results have shown that small pores and zero light absorption loss of SAPO-34 molecular sieves minimize Ag3PO4 loading, enhance photocatalytic activity and prolong the lifespan of Ag3PO4 photocatalyst.

  19. Titanium(IV) in the organic-structure-directing-agent-free synthesis of hydrophobic and large-pore molecular sieves as redox catalysts.

    PubMed

    Wang, Jingui; Yokoi, Toshiyuki; Kondo, Junko N; Tatsumi, Takashi; Zhao, Yanli

    2015-08-10

    Titanium(IV) incorporated into the framework of molecular sieves can be used as a highly active and sustainable catalyst for the oxidation of industrially important organic molecules. Unfortunately, the current process for the incorporation of titanium(IV) requires a large amount of expensive organic molecules used as organic-structure-directing agents (OSDAs), and this significantly increases the production costs and causes environmental problems owing to the removal of OSDAs by pyrolysis. Herein, an OSDA-free process was developed to incorporate titanium(IV) into BEA-type molecular sieves for the first time. More importantly, the hydrophobic environment and the robust, 3 D, and large pore structure of the titanium(IV)-incorporated molecular sieves fabricated from the OSDA-free process created a catalyst that was extremely active and selective for the epoxidation of bulky cyclooctene in comparison to Ti-incorporated BEA-type molecular sieves synthesized with OSDAs and commercial titanosilicate TS-1. PMID:26073555

  20. Effect of lipase immobilization on resolution of (R, S)-2-octanol in nonaqueous media using modified ultrastable-Y molecular sieve as support.

    PubMed

    Dai, Dazhang; Xia, Liming

    2006-07-01

    The lipase from Penicillium expansum PED-03 (PEL) was immobilized onto modified ultrastable-Y (USY) molecular sieve and the resolution of (R, S)- 2-octanol was carried out in a bioreactor in nonaqueous media by the immobilized lipase. It was found that the conversion rate, enantiomeric excess (ee) value, and enantioselectivity (E) value of the resolution catalyzed by PEL immobilized on modified USY molecular sieve were much higher than those of the reaction catalyzed by free PEL and PEL immobilized on other supports. Immobilized on modified USY molecular sieve, the PEL exhibited obvious activity within a wider pH range and at a much higher temperature and showed a markedly enhanced stability against thermal inactivation, by which the suitable pH of the buffer used for immobilization could be "memorized." The conversion rate of the reaction catalyzed by PEL immobilized on modified USY molecular sieve reached 48.84%, with excellent enantioselectivity (average E value of eight batches >460) in nonaqueous media at "memorial" pH 9.5, 50 degrees C for 24 h, demonstrating a good application potential in the production of optically pure (R, S)-2-octanol. PMID:16891665

  1. The Use of Cryogenically Cooled 5A Molecular Sieves for Large Volume Reduction of Tritiated Hydrogen Gas

    SciTech Connect

    Antoniazzi, A.B.; Bartoszek, F.E.; Sherlock, A.M.

    2006-07-01

    A commercial hydrogen isotope separation system based on gas chromatography (AGC-ISS) has been built. The system operates in two modes: stripping and volume reduction. The purpose of the stripping mode is to reduce a large volume of tritiated hydrogen gas to a small volume of tritium rich hydrogen gas. The results here illustrate the effectiveness of the AGC-ISS in the stripping and volume reduction phases. Column readiness for hydrogen isotope separation is confirmed by room temperature air separation tests. Production runs were initially carried out using natural levels of deuterium (110-160 ppm) in high purity hydrogen. After completion of the deuterium/hydrogen runs the system began operations with tritiated hydrogen. The paper presents details of the AGC-ISS design and results of tritium tests. The heart of the AGC-ISS consists of two packed columns (9 m long, 3.8 cm OD) containing 5A molecular sieve material of 40/60 mesh size. Each column has 5 individually controlled heaters along the length of the column and is coiled around an inverted inner dewar. The coiled column and inner dewar are both contained within an outer dewar. In this arrangement liquid nitrogen, used to cryogenically cool the columns, flows into and out off the annular space defined by the two dewars, allowing for alternate heating and cooling cycles. Tritiated hydrogen feed is injected in batch quantities. The batch size is variable with the maximum quantity restricted by the tritium concentration in the exhausted hydrogen. The stripping operations can be carried out in full automated mode or in full manual mode. The average cycle time between injections is about 75 minutes. To date, the maximum throughput achieved is 10.5 m{sup 3}/day. A total of 37.8 m{sup 3} of tritiated hydrogen has been processed during commissioning. The system has demonstrated that venting of >99.95% of the feed gas is possible while retaining 99.98% of the tritium. At a maximum tritium concentration of {approx}7 GBq

  2. Platinum–nickel frame within metal-organic framework fabricated in situ for hydrogen enrichment and molecular sieving

    PubMed Central

    Li, Zhi; Yu, Rong; Huang, Jinglu; Shi, Yusheng; Zhang, Diyang; Zhong, Xiaoyan; Wang, Dingsheng; Wu, Yuen; Li, Yadong

    2015-01-01

    Developing catalysts that provide the effective activation of hydrogen and selective absorption of substrate on metal surface is crucial to simultaneously improve activity and selectivity of hydrogenation reaction. Here we present an unique in situ etching and coordination synthetic strategy for exploiting a functionalized metal-organic framework to incorporate the bimetallic platinum–nickel frames, thereby forming a frame within frame nanostructure. The as-grown metal-organic framework serves as a ‘breath shell' to enhance hydrogen enrichment and activation on platinum–nickel surface. More importantly, this framework structure with defined pores can provide the selective accessibility of molecules through its one-dimensional channels. In a mixture containing four olefins, the composite can selectively transport the substrates smaller than its pores to the platinum–nickel surface and catalyse their hydrogenation. This molecular sieve effect can be also applied to selectively produce imines, which are important intermediates in the reductive imination of nitroarene, by restraining further hydrogenation via cascade processes. PMID:26391605

  3. Preparation and application of zirconium sulfate supported on SAPO-34 molecular sieve as solid acid catalyst for esterification

    SciTech Connect

    Xu, Dongyan Ma, Hong; Cheng, Fei

    2014-05-01

    Graphical abstract: - Highlights: • SAPO-34 supported zirconium sulfate solid acid catalyst was prepared. • Esterification of acetic acid with ethanol can be catalyzed by ZS/SAPO-34. • The hydration of ZS is vital to the acidic property and catalytic performance. • The ZS/SAPO-34 catalyst treated at 200 °C shows good reusability. - Abstract: Zirconium sulfate (ZS) was supported on SAPO-34 molecular sieve by using an incipient wetness impregnation method with zirconium sulfate as the precursor. The as-prepared catalysts were used as solid acid catalyst for esterification reaction of acetic acid with ethanol. The influence of calcination temperature on the acidic property, catalytic activity, and reusability of ZS/SAPO-34 catalysts were mainly investigated. FT-IR, SEM, EDS and TG analysis have been carried out to demonstrate the characteristics of ZS/SAPO-34 catalysts. It was found that the 30 wt%ZS/SAPO-34 catalysts display the property of superacid irrespective of calcination temperature. The ZS/SAPO-34 catalyst treated at 200 °C can enhance the interaction between the supported ZS and SAPO-34 and keep the catalyst remaining substantially active after several reaction cycles. However, further increasing calcination temperature will cause the transfer of ZS from hydrate to anhydrous phase, and thus the decrease of activity.

  4. Production of carbon molecular sieves from Illinois coal. [Quarterly] technical report, December 1, 1993--February 28, 1994

    SciTech Connect

    Lizzio, A.A.; Rostam-Abadi, M.; Vyas, S.N.

    1994-06-01

    Carbon molecular sieves (CMS) have become an increasingly important class of adsorbents for use in gas separation and recovery processes. The overall objective of this project is to determine whether Illinois coal is a suitable feedstock for the production of CMS and to evaluate the potential application of the products in commercial gas separation processes. In Phase I of this project, gram quantities of char were produced from IBC-102 coal in a fixed-bed reactor under a wide range of pyrolysis and activation conditions. The kinetics of adsorption of various gases, i.e., O{sub 2}, N{sub 2}, CO{sub 2}, CH{sub 4} and H{sub 2}, on these chars at 25{degree}C was studied. Several chars showed good potential for efficient O{sub 2}/N{sub 2}, CO{sub 2}/CH{sub 4}, CO{sub 2}H{sub 2} and CH{sub 4}/H{sub 2} separation; both high adsorption capacities and selectivities were achieved. The full potential of these materials in commercial gas separations has yet to be realized. In Phase II, the optimal char preparation conditions determined in Phase I are applied to production of larger quantities of CMS in a batch fluidized-bed reactor (FBR) and a continuous rotary tube kiln (RTFK).

  5. Ionothermal Synthesis of MnAPO-SOD Molecular Sieve without the Aid of Organic Structure-Directing Agents.

    PubMed

    Liu, Hao; Tian, Zhijian; Wang, Lei; Wang, Yasong; Li, Dawei; Ma, Huaijun; Xu, Renshun

    2016-02-15

    An SOD-type metalloaluminophosphate molecular sieve (denoted as SOD-Mn) was ionothermally synthesized by introducing manganese(II) cations into the reaction mixture via MnO-acid or MnO2-reductant reactions. Composition and structure analyses results show that two kinds of manganese(II) cations exist in the SOD-Mn structure. Part of the manganese(II) cations isomorphously substitute the framework aluminum(III) with a substitution degree of ∼30%. The rest of the manganese(II) cations occupy a fraction of the sod cages in their hydrated forms. A comprehensive investigation of the synthesis parameters, crystal sizes, and crystallization kinetics indicates that the in situ released hydrated manganese(II) cations direct the formation of SOD-Mn. Such structure-directing effect may be inhibited by both the fluorination of manganese(II) cations and the water accumulation during crystallization. In the fluoride anion-containing reaction mixture with a low ionic liquid content, the crystallization process is strongly suppressed, and large SOD-Mn single crystals of over 200 μm in size are yielded. SOD-Mn is free from organics and shows improved thermal stability compared with metalloaluminophosphates synthesized by using organic structure-directing agents. PMID:26821274

  6. Platinum-nickel frame within metal-organic framework fabricated in situ for hydrogen enrichment and molecular sieving

    NASA Astrophysics Data System (ADS)

    Li, Zhi; Yu, Rong; Huang, Jinglu; Shi, Yusheng; Zhang, Diyang; Zhong, Xiaoyan; Wang, Dingsheng; Wu, Yuen; Li, Yadong

    2015-09-01

    Developing catalysts that provide the effective activation of hydrogen and selective absorption of substrate on metal surface is crucial to simultaneously improve activity and selectivity of hydrogenation reaction. Here we present an unique in situ etching and coordination synthetic strategy for exploiting a functionalized metal-organic framework to incorporate the bimetallic platinum-nickel frames, thereby forming a frame within frame nanostructure. The as-grown metal-organic framework serves as a `breath shell' to enhance hydrogen enrichment and activation on platinum-nickel surface. More importantly, this framework structure with defined pores can provide the selective accessibility of molecules through its one-dimensional channels. In a mixture containing four olefins, the composite can selectively transport the substrates smaller than its pores to the platinum-nickel surface and catalyse their hydrogenation. This molecular sieve effect can be also applied to selectively produce imines, which are important intermediates in the reductive imination of nitroarene, by restraining further hydrogenation via cascade processes.

  7. Preparation, characterization and application of p-tert-butyl-calix[4]arene-SBA-15 mesoporous silica molecular sieves.

    PubMed

    Huang, Huayu; Zhao, Chuande; Ji, Yongsheng; Nie, Rong; Zhou, Pan; Zhang, Haixia

    2010-06-15

    p-tert-Butyl-calix[4]arene-SBA-15 mesoporous silica molecular sieves have been prepared and characterized by Fourier transform infrared (FT-IR) spectroscopy, powder X-ray diffraction (XRD) and nitrogen adsorption-desorption measurements. FT-IR spectra showed the presence of methylene (-CH(2)-), methyl (-CH(3)) and phenyl bands on the modified SBA-15. Powder XRD data indicated the structure of p-tert-butyl-calix[4]arene-SBA-15 remained the host SBA-15 structure. Brunauer-Emmett-Teller (BET) surface area analysis revealed a decrease in surface area and pore size. The adsorption capacity of the materials to diethylstilbestrol and bisphenol A was studied via the dynamic adsorption experiments. The maximum dynamic adsorption capacity on modified materials was 34.8 and 2.9 times higher than SBA-15 particles for diethylstilbestrol and bisphenol A, respectively. The results indicated that p-tert-butyl-calix[4]arene-SBA-15 particles could be used to the enrich the various compounds in water samples before the further analysis. PMID:20185235

  8. Diffusion of methane and carbon dioxide in carbon molecular sieve membranes by multinuclear pulsed field gradient NMR.

    PubMed

    Mueller, Robert; Kanungo, Rohit; Kiyono-Shimobe, Mayumi; Koros, William J; Vasenkov, Sergey

    2012-07-10

    Carbon molecular sieve (CMS) membranes are promising materials for energy efficient separations of light gases. In this work, we report a detailed microscopic study of carbon dioxide and methane self-diffusion in three CMS membrane derived from 6FDA/BPDA(1:1)-DAM and Matrimid polymers. In addition to diffusion of one-component sorbates, diffusion of a carbon dioxide/methane mixture was investigated. Self-diffusion studies were performed by the multinuclear (i.e., (1)H and (13)C) pulsed field gradient (PFG) NMR technique which combines the advantages of high field (17.6 T) NMR and high magnetic field gradients (up to 30 T/m). Diffusion measurements were carried out at different temperatures and for a broad range of the root-mean-square displacements of gas molecules inside the membranes. The diffusion data obtained from PFG NMR are compared with the corresponding results of membrane permeation measurements reported previously for the same membrane types. The observed differences between the transport diffusivities and self-diffusion coefficients of carbon dioxide and methane are discussed. PMID:22694169

  9. Interlinked Test Results for Fusion Fuel Processing and Blanket Tritium Recovery Systems Using Cryogenic Molecular Sieve Bed

    SciTech Connect

    Yamanishi, Toshihiko; Hayashi, Takumi; Kawamura, Yoshinori; Iwai, Yasunori; Isobe, Kanetsugu; Uzawa, Masayuki; Nishi, Masataka

    2005-07-15

    A simulated fuel processing (cryogenic distillation columns and a palladium diffuser) and CMSB (cryogenic molecular sieve bed) systems were linked together, and were operated. The validity of the CMSB was discussed through this experiment as an integrated system for the recovery of blanket tritium. A gas stream of hydrogen isotopes and He was supplied to the CMSB as the He sweep gas in blanket of a fusion reactor. After the breakthrough of tritium was observed, regeneration of the CMSB was carried out by evacuating and heating. The hydrogen isotopes were finally recovered by the diffuser. At first, only He gas was sent by the evacuating. The hydrogen isotopes gas was then rapidly released by the heating. The system worked well against the above drastic change of conditions. The amount of hydrogen isotopes gas finally recovered by the diffuser was in good agreement with that adsorbed by the CMSB. The dynamic behaviors (breakthrough and regeneration) of the system were explained well by a set of basic codes.

  10. Catalytic degradation of Acid Orange 7 by manganese oxide octahedral molecular sieves with peroxymonosulfate under visible light irradiation.

    PubMed

    Duan, Lian; Sun, Binzhe; Wei, Mingyu; Luo, Shilu; Pan, Fei; Xu, Aihua; Li, Xiaoxia

    2015-03-21

    In this paper, the photodegradation of Acid Orange 7 (AO7) in aqueous solutions with peroxymonosulfate (PMS) was studied with manganese oxide octahedral molecular sieves (OMS-2) as the catalyst. The activities of different systems including OMS-2 under visible light irradiation (OMS-2/Vis), OMS-2/PMS and OMS-2/PMS/Vis were evaluated. It was found that the efficiency of OMS-2/PMS was much higher than that of OMS-2/Vis and could be further enhanced by visible light irradiation. The catalyst also exhibited stable performance for multiple runs. Results from ESR and XPS analyses suggested that the highly catalytic activity of the OMS-2/PMS/Vis system possible involved the activation of PMS to sulfate radicals meditated by the redox pair of Mn(IV)/Mn(III) and Mn(III)/Mn(II), while in the OMS-2/PMS system, only the redox reaction between Mn(IV)/Mn(III) occurred. Several operational parameters, such as dye concentration, catalyst load, PMS concentration and solution pH, affected the degradation of AO7. PMID:25528234

  11. An efficient synthesis of graphenated carbon nanotubes over the tailored mesoporous molecular sieves by chemical vapor deposition

    SciTech Connect

    Atchudan, R.; Joo, Jin.; Pandurangan, A.

    2013-06-01

    Highlights: ► Tailored 3D cubic Ni/KIT-6 with large pores was synthesized successfully. ► The new hybrid g-CNTs in large scale were synthesized using Ni/KIT-6 by CVD method. ► The use of mesoporous material by CVD method would be an ideal choice to prepare g-CNTs at reasonable cost. ► This type of g-CNTs might be a new avenue for nano-electronic applications. - Abstract: The new hybrid of graphenated carbon nanotubes (g-CNTs) was superior to either CNTs or graphene. Mesoporous 3D cubic Ni/KIT-6 were synthesized hydrothermally through organic template route and then were used as catalytic template for the production of g-CNTs using acetylene as a carbon precursor by chemical vapor deposition (CVD) method. The deposited new hybrid carbon materials were purified and analyzed by various physico-chemical techniques such as XRD, TGA, SEM, TEM and Raman spectroscopy techniques. The graphitization of CNTs was confirmed by TGA and HRTEM studies. Thermal stability, surface morphology, and structural morphology of these materials were revealed by TGA, SEM and TEM analysis, respectively. Moreover, the tailored mesoporous Ni/KIT-6 molecular sieves were found to possess better quality and massive quantity of g-CNTs produced compared to other catalytic template route.

  12. Decolorization/Deodorization of Zein via Activated Carbons and Molecular Sieves

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A series of commercial activated carbons generated from different media and selective microporous zeolites with different pore sizes were used in a batch system to sequester the low molecular weight odor and color contaminants in commercial zein products. Because the adsorbents can also adsorb prot...

  13. Protein sterilization method of firefly luciferase using reduced pressure and molecular sieves

    NASA Technical Reports Server (NTRS)

    Chappelle, E. W.; Rich, E., Jr. (Inventor)

    1973-01-01

    The sterilization of the protein fruitfly luciferase under conditions that prevent denaturation is examined. Denaturation is prevented by heating the protein in contact with molecular seives and under a reduced pressure of the order of 0.00005 millimeters of mercury.

  14. Atmospheric weathering and silica-coated feldspar: Analogy with zeolite molecular sieves, granite weathering, soil formation, ornamental slabs, and ceramics

    PubMed Central

    Smith, Joseph V.

    1998-01-01

    Feldspar surfaces respond to chemical, biological, and mechanical weathering. The simplest termination is hydroxyl (OH), which interacts with any adsorption layer. Acid leaching of alkalis and aluminum generated a silica-rich, nanometers-thick skin on certain feldspars. Natural K, Na-feldspars develop fragile surfaces as etch pits expand into micrometer honeycombs, possibly colonized by lichens. Most crystals have various irregular coats. Based on surface-catalytic processes in molecular sieve zeolites, I proposed that some natural feldspars lose weakly bonded Al-OH (aluminol) to yield surfaces terminated by strongly bonded Si-OH (silanol). This might explain why some old feldspar-bearing rocks weather slower than predicted from brief laboratory dissolution. Lack of an Al-OH infrared frequency from a feldspar surface is consistent with such a silanol-dominated surface. Raman spectra of altered patches on acid-leached albite correspond with amorphous silica rather than hydroxylated silica–feldspar, but natural feldspar may respond differently. The crystal structure of H-exchanged feldspar provides atomic positions for computer modeling of complex ideas for silica-terminated feldspar surfaces. Natural weathering also depends on swings of temperature and hydration, plus transport of particles, molecules, and ionic complexes by rain and wind. Soil formation might be enhanced by crushing granitic outcrops to generate new Al-rich surfaces favorable for chemical and biological weathering. Ornamental slabs used by architects and monumental masons might last longer by minimizing mechanical abrasion during sawing and polishing and by silicifying the surface. Silica-terminated feldspar might be a promising ceramic surface. PMID:9520371

  15. Current Understanding of Cu-Exchanged Chabazite Molecular Sieves for Use as Commercial Diesel Engine DeNOx Catalysts

    SciTech Connect

    Gao, Feng; Kwak, Ja Hun; Szanyi, Janos; Peden, Charles HF

    2013-11-03

    Selective catalytic reduction (SCR) of NOx with ammonia using metal-exchanged molecular sieves with a chabazite (CHA) structure has recently been commercialized on diesel vehicles. One of the commercialized catalysts, i.e., Cu-SSZ-13, has received much attention for both practical and fundamental studies. For the latter, the particularly well-defined structure of this zeolite is allowing long-standing issues of the catalytically active site for SCR in metal-exchanged zeolites to be addressed. In this review, recent progress is summarized with a focus on two areas. First, the technical significance of Cu-SSZ-13 as compared to other Cu-ion exchanged zeolites (e.g., Cu-ZSM-5 and Cu-beta) is highlighted. Specifically, the much enhanced hydrothermal stability for Cu-SSZ-13 compared to other zeolite catalysts is addressed via performance measurements and catalyst characterization using several techniques. The enhanced stability of Cu-SSZ-13 is rationalized in terms of the unique small pore structure of this zeolite catalyst. Second, the fundamentals of the catalytically active center; i.e., the chemical nature and locations within the SSZ-13 framework are presented with an emphasis on understanding structure-function relationships. For the SCR reaction, traditional kinetic studies are complicated by intra-particle diffusion limitations. However, a major side reaction, nonselective ammonia oxidation by oxygen, does not suffer from mass-transfer limitations at relatively low temperatures due to significantly lower reaction rates. This allows structure-function relationships that are rather well understood in terms of Cu ion locations and redox properties. Finally, some aspects of the SCR reaction mechanism are addressed on the basis of in-situ spectroscopic studies.

  16. Adsorption of CO 2, CH 4 and N 2 on ordered mesoporous silica molecular sieve

    NASA Astrophysics Data System (ADS)

    Liu, Xiuwu; Li, Jingwen; Zhou, Li; Huang, Desheng; Zhou, Yaping

    2005-11-01

    Five samples of ordered mesoporous silica SBA-15 were synthesized. Its pore size was in the range 5-9 nm, and the specific surface area was in the range 500-900 m 2/g, which was controlled by the temperature and time of aging on crystallization. Adsorption isotherms of CO 2, CH 4 and N 2 on the samples were collected at 298 K, and the adsorption rates of the gases were also compared for different pressures. It was concluded that SBA-15 with the textural property studied was a good adsorbent for the separation of carbon dioxide from its mixture with methane and nitrogen.

  17. Synthesis and modification of mesoporous silica and the preparation of molecular sieve thin films via pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Coutinho, Decio Heringer

    2001-07-01

    describes the evaluation of the HISIV(TM) 1000 molecular sieve for TBC adsorption. The TBC equilibrium capacity was determined from a cyclohexane/TBC liquid mixture and was comparable to alumina adsorbents. Practicum One. A fluorescent diagnostic system was developed to image the inhomogeneous mixture formed as two miscible fluids mix. This diagnostic for the mixing fraction uses a commercially available CCD color camera, a polarity sensitive fluorescent probe (DCM), and the planar laser induced fluorescence (PLIF) imaging technique to track the mixing of two miscible fluids of different polarity (ethanol and decane). The DCM fluorescence spectrum shifts to the red with increasing polarity, and the CCD camera's red, green, and blue color channels serve as spectral filters for the probe's fluorescence.

  18. Dark- and photoreactions of ethanol and acetaldehyde over TiO{sub 2}/carbon molecular sieve fibers

    SciTech Connect

    Reztsova, T.; Chang, C.H.; Idriss, H.; Koresh, J.

    1999-07-01

    TiO{sub 2} has been synthesized within the pores of carbon molecular sieve fibers (CMSF) in order to grow particles of quantum size. TiO{sub 2}/CMSF characteristics were followed by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and UV-vis diffuse reflectance. XPS showed that all Ti cations are in a +4 oxidation state. The reduction profile of Ti cations (made by preferential O anion removal due to Ar{sup +} sputtering), as evidenced by Ti{sup +x}/Ti{sup +4} cations, is very similar to that already observed for well-defined TiO{sub 2} surfaces. The absence of XRD pattern indicated that TiO{sub 2} particles are in an amorphous form. UV-vis diffuse reflectance showed a considerably blue shift ({Delta}E = 0.6--0.7 eV) of the band gap of TiO{sub 2}/CMSF when compared to TiO{sub 2} (anatase). This shift translates an average particle radius of 15 {+-} 2 {angstrom}. Larger TiO{sub 2} particles, outside the CMSF nanopores, are, however, observed by TEM. Dark- and photoreactions of ethanol and acetaldehyde have been investigated over TiO{sub 2}/CMSF by steady state kinetics and temperature programmed desorption in UHV conditions, as well as in batch conditions at atmospheric pressure. UHV-steady state ethanol reactions have shown eightfold increase in the reaction rate at 573 K in the presence of UV when compared to dark reactions at the same temperatures. The rate constants ratio k{sub 2}K{sub 2}/k{sub 1}K{sub 1}, for the photoreactions of ethanol, is ca. 40 times higher for TiO{sub 2}/CMSF than for TiO{sub 2} (powder) indicating the high selectivity of the former toward total conversion of ethanol to CO{sub 2} with minor accumulation of acetaldehyde (k{sub 1}K{sub 1} and k{sub 2}K{sub 2} are the rate constants for ethanol to acetaldehyde and acetaldehyde to CO{sub 2}, respectively). Evidence of C-C bond dissociation is given by formaldehyde desorption during UV-acetaldehyde-TPD over TiO{sub 2}/CMSF under UHV conditions. Moreover, UV

  19. Evaluation of INL Supplied MOOSE/OSPREY Model: Modeling Water Adsorption on Type 3A Molecular Sieve

    SciTech Connect

    Pompilio, L. M.; DePaoli, D. W.; Spencer, B. B.

    2014-08-29

    The purpose of this study was to evaluate Idaho National Lab’s Multiphysics Object-Oriented Simulation Environment (MOOSE) software in modeling the adsorption of water onto type 3A molecular sieve (3AMS). MOOSE can be thought-of as a computing framework within which applications modeling specific coupled-phenomena can be developed and run. The application titled Off-gas SeParation and REcoverY (OSPREY) has been developed to model gas sorption in packed columns. The sorbate breakthrough curve calculated by MOOSE/OSPREY was compared to results previously obtained in the deep bed hydration tests conducted at Oak Ridge National Laboratory. The coding framework permits selection of various options, when they exist, for modeling a process. For example, the OSPREY module includes options to model the adsorption equilibrium with a Langmuir model or a generalized statistical thermodynamic adsorption (GSTA) model. The vapor solid equilibria and the operating conditions of the process (e.g., gas phase concentration) are required to calculate the concentration gradient driving the mass transfer between phases. Both the Langmuir and GSTA models were tested in this evaluation. Input variables were either known from experimental conditions, or were available (e.g., density) or were estimated (e.g., thermal conductivity of sorbent) from the literature. Variables were considered independent of time, i.e., rather than having a mass transfer coefficient that varied with time or position in the bed, the parameter was set to remain constant. The calculated results did not coincide with data from laboratory tests. The model accurately estimated the number of bed volumes processed for the given operating parameters, but breakthrough times were not accurately predicted, varying 50% or more from the data. The shape of the breakthrough curves also differed from the experimental data, indicating a much wider sorption band. Model modifications are needed to improve its utility and

  20. Synthesis of 4 A˚ single-walled carbon nanotubes in catalytic Si-substituted AlPO4-5 molecular sieves

    NASA Astrophysics Data System (ADS)

    Li, Z. M.; Zhai, J. P.; Liu, H. J.; Li, I. L.; Chan, C. T.; Sheng, Ping; Tang, Z. K.

    2004-08-01

    4Å single-walled carbon nanotubes (SWCNs) were fabricated using Si-substituted AlPO4-5 (SAPO-5) molecular sieves as the template. In comparison with neutral AlPO4-5, the SAPO-5 framework plays an important role as a catalyst in pyrolyzing the hydrocarbon molecules, owing to the Bønsted acid sites. The first-principles calculation shows the Si decoration to be very favorable to the formation of carbon nanotubes in the SAPO-5 channels. The resulting SWCNs have better quality than those fabricated without Si doping, evidenced by clearer and stronger radial breathing modes in the Raman spectra.

  1. Analysis of the Sensitivity of K-Type Molecular Sieve-Deposited MWNTs for the Detection of SF6 Decomposition Gases under Partial Discharge

    PubMed Central

    Zhang, Xiaoxing; Li, Xin; Luo, Chenchen; Dong, Xingchen; Zhou, Lei

    2015-01-01

    Sulfur hexafluoride (SF6) is widely utilized in gas-insulated switchgear (GIS). However, part of SF6 decomposes into different components under partial discharge (PD) conditions. Previous research has shown that the gas responses of intrinsic and 4 Å-type molecular sieve-deposited multi-wall carbon nanotubes (MWNTs) to SOF2 and SO2F2, two important decomposition components of SF6, are not obvious. In this study, a K-type molecular sieve-deposited MWNTs sensor was developed. Its gas response characteristics and the influence of the mixture ratios of gases on the gas-sensing properties were studied. The results showed that, for sensors with gas mixture ratios of 5:1, 10:1, and 20:1, the resistance change rate increased by nearly 13.0% after SOF2 adsorption, almost 10 times that of MWNTs sensors, while the sensors’ resistance change rate with a mixture ratio of 10:1 reached 17.3% after SO2F2 adsorption, nearly nine times that of intrinsic MWNT sensors. Besides, a good linear relationship was observed between concentration of decomposition components and the resistance change rate of sensors. PMID:26569245

  2. Analysis of the Sensitivity of K-Type Molecular Sieve-Deposited MWNTs for the Detection of SF₆ Decomposition Gases under Partial Discharge.

    PubMed

    Zhang, Xiaoxing; Li, Xin; Luo, Chenchen; Dong, Xingchen; Zhou, Lei

    2015-01-01

    Sulfur hexafluoride (SF6) is widely utilized in gas-insulated switchgear (GIS). However, part of SF6 decomposes into different components under partial discharge (PD) conditions. Previous research has shown that the gas responses of intrinsic and 4 Å-type molecular sieve-deposited multi-wall carbon nanotubes (MWNTs) to SOF2 and SO2F2, two important decomposition components of SF6, are not obvious. In this study, a K-type molecular sieve-deposited MWNTs sensor was developed. Its gas response characteristics and the influence of the mixture ratios of gases on the gas-sensing properties were studied. The results showed that, for sensors with gas mixture ratios of 5:1, 10:1, and 20:1, the resistance change rate increased by nearly 13.0% after SOF2 adsorption, almost 10 times that of MWNTs sensors, while the sensors' resistance change rate with a mixture ratio of 10:1 reached 17.3% after SO2F2 adsorption, nearly nine times that of intrinsic MWNT sensors. Besides, a good linear relationship was observed between concentration of decomposition components and the resistance change rate of sensors. PMID:26569245

  3. Low temperature VOC combustion over manganese, Cobalt and Zinc ALPO(4) Molecular sieves. Semi-annual, March 1, 1996 - Aug. 31, 1996

    SciTech Connect

    Das, K.; Sheehan, D.G.; Szostak, R.

    1996-12-31

    A functional fixed bed continuous flow catalytic reactor was constructed for conducting experiments on the catalytic destruction of VOCs using cobalt and manganese containing aluminophosphate catalysts (MeAPOs). The reactor was also interfaced to a Gas Chromatograph in order to facilitate on line product analysis. As preliminary catalytic experiments, a cobalt exchanged form of large pore zeolite Y was used as a reference catalyst for the oxidation of methylene chloride (CH{sub 2}Cl{sub 2}). At 350{degrees}C, the catalyst was effective in partial conversion of this feed stream of VOC to CO{sub 2}. Optimization of reaction conditions are currently underway in order to obtain higher conversion levels. The effect of variations in reaction conditions such as reactant flow rate, reaction temperature and catalyst compositions are currently been investigated. In the next phase of this project, the Co-exchanged Y zeolite will be substituted by the MeAPOs catalysts and the reactivities of the latter will be assessed. The potential of the MeAPOs to function as oxidation catalysts was evaluated in the liquid phase conversion of phenol to hydroquinone and catechol. The percentage conversion and product yield were significant and varied depending on the metal type and content of the molecular sieve framework. Conversion levels were also dependent on molecular sieve pore dimensions as the medium pore MeAPO-11 was more active than the larger pore MeAPO-5 or MeAPO-36.

  4. Low temperature VOC combustion over manganese, cobalt and zinc AlPO{sub 4} molecular sieves. Semi-annual report-1, September 1, 1995--February 29, 1996

    SciTech Connect

    Szostak, R.

    1997-06-01

    The objective of this project is to prepare manganese, cobalt and zinc containing AlPO{sub 4} large pore molecular sieves of structure type -36 and evaluate their ability to function as successful oxidation catalysts for the removal of low levels of VOC`s from gas streams. The tasks to be accomplished are as follows: (1) To develop reliable synthesis methods that produce the large pore metal aluminophosphates containing manganese, cobalt and zinc in their framework. (2) To characterize these materials to determine phase purity and the location of the incorporated metal in the framework. Characterization will also include the nature of the active sites within the structures and the effect manganese, cobalt and zinc has on the structures` acidity. (3) To screen the material for their catalytic activity in the oxidation of hydrocarbons and aromatics. This report gives a summary of the status of the project as of 28th February 1996.

  5. Confinement of Ionic Liquids in Nanocages: Tailoring the Molecular Sieving Properties of ZIF-8 for Membrane-Based CO2 Capture.

    PubMed

    Ban, Yujie; Li, Zhengjie; Li, Yanshuo; Peng, Yuan; Jin, Hua; Jiao, Wenmei; Guo, Ang; Wang, Po; Yang, Qingyuan; Zhong, Chongli; Yang, Weishen

    2015-12-14

    Fine-tuning of effective pore size of microporous materials is necessary to achieve precise molecular sieving properties. Herein, we demonstrate that room temperature ionic liquids can be used as cavity occupants for modification of the microenvironment of MOF nanocages. Targeting CO2 capture applications, we tailored the effective cage size of ZIF-8 to be between CO2 and N2 by confining an imidazolium-based ionic liquid [bmim][Tf2 N] into ZIF-8's SOD cages by in-situ ionothermal synthesis. Mixed matrix membranes derived from ionic liquid-modified ZIF-8 exhibited remarkable combinations of permeability and selectivity that transcend the upper bound of polymer membranes for CO2 /N2 and CO2 /CH4 separation. We observed an unusual response of the membranes to varying pressure, that is, an increase in the CO2 /CH4 separation factor with pressure, which is highly desirable for practical applications in natural gas upgrading. PMID:26515558

  6. Nanoscopic imaging of meso-tetraalkylporphyrins prepared in high yields enabled by Montmorrilonite K10 and 3A molecular sieves.

    PubMed

    Plamont, Rémi; Kikkawa, Yoshihiro; Takahashi, Mayuko; Kanesato, Masatoshi; Giorgi, Michel; Chan Kam Shun, Anita; Roussel, Christian; Balaban, Teodor Silviu

    2013-08-19

    We have developed a high-yielding synthesis of meso-tetraalkylporphyrins, which previously have been obtained only in lower yields. By employing Montmorrilonite K10 as the acid catalyst and 3 Å molecular sieves as the dehydrating agent, yields that reached 70 % could be achieved with some aliphatic aldehydes. The free-base porphyrins with decyl (C10) or longer chains were imaged at the single-molecule level at the solvent/surface interface. Highly oriented pyrolytic graphite (HOPG) was used as a π-stacking surface, whereas 1-phenyloctane and 1-phenylnonane were used as solvents. An odd-even effect was observed from C13 to C16. For C13 a single-crystal X-ray structure allowed an unprecedented insight into how packing from two dimensions is expanded into a three-dimensional crystal lattice. PMID:23839774

  7. Integrated Testing of a 4-Bed Molecular Sieve and a Temperature-Swing Adsorption Compressor for Closed-Loop Air Revitalization

    NASA Technical Reports Server (NTRS)

    Knox, James C.; Mulloth, Lila M.; Affleck, David L.

    2004-01-01

    Accumulation and subsequent compression of carbon dioxide that is removed from space cabin are two important processes involved in a closed-loop air revitalization scheme of the International Space Station (ISS). The 4-Bed Molecular Sieve (4BMS) of ISS currently operates in an open loop mode without a compressor. This paper reports the integrated 4BMS and liquid-cooled TSAC testing conducted during the period of March 3 to April 18, 2003. The TSAC prototype was developed at NASA Ames Research Center (ARC). The 4BMS was modified to a functionally flight-like condition at NASA Marshall Space Flight Center (MSFC). Testing was conducted at MSFC. The paper provides details of the TSAC operation at various CO2 loadings and corresponding performance of CDRA.

  8. A New Class of Octahedral Molecular Sieve Materials for the Selective Removal and Sequestration of {sup 90}Sr{sup 2+}

    SciTech Connect

    NYMAN,MAY D.; NENOFF,TINA M.; TRIPATHI,AKHILESH; PARISE,JOHN B.; MAXWELL,ROBERT S.; HARRISON,WILLIAM T.A.

    2000-07-14

    The structure of Na{sub 16}Nb{sub 12.8}Ti{sub 3.2}O{sub 44.8}(OH){sub 3.2} {center_dot} 8H{sub 2}O, a member of a new family of Sandia Octahedral Molecular Sieves (SOMS) having a Nb/Na/M{sup IV} (M= Ti, Zr) oxide framework and exchangeable Na and water in open channels, was determined from Synchrotron X-ray data. The SOMS phases are isostructural with variable M{sup IV}:Nb(1:50--1:4) ratios. The SOMS are extremely selective for sorption of divalent cations, particularly Sr{sup 2+}. The ion-exchanged SOMS undergo direct thermal conversion to a perovskite-type phase, indicating this is a promising new method for removal and sequestration of radioactive Sr-90 from mixed nuclear wastes.

  9. Trace matrix solid phase dispersion using a molecular sieve as the sorbent for the determination of flavonoids in fruit peels by ultra-performance liquid chromatography.

    PubMed

    Cao, Wan; Hu, Shuai-Shuai; Ye, Li-Hong; Cao, Jun; Pang, Xiao-Qing; Xu, Jing-Jing

    2016-01-01

    A simple, rapid, and highly selective trace matrix solid phase dispersion (MSPD) technique, coupled with ultra-performance liquid chromatography-ultraviolet detection, was proposed for extracting flavonoids from orange fruit peel matrices. Molecular sieve SBA-15 was applied for the first time as a solid support in trace MSPD. Parameters, such as the type of dispersant, mass ratio of the sample to the dispersant, grinding time, and elution pH, were optimized in detail. The optimal extraction conditions involved dispersing a powdered fruit peel sample (25 mg) into 25mg of SBA-15 and then eluting the target analytes with 500 μL of methanol. A satisfactory linearity (r(2) > 0.9990) was obtained, and the calculated limits of detection reached 0.02-0.03 μg/mL for the compounds. The results showed that the method developed was successfully applied to determine the content of flavonoids in complex fruit peel matrices. PMID:26212999

  10. Natural gas cleanup: Evaluation of a molecular sieve carbon as a pressure swing adsorbent for the separation of methane/nitrogen mixtures

    SciTech Connect

    Grimes, R.W.

    1994-06-01

    This report describes the results of a preliminary evaluation to determine the technical feasibility of using a molecular sieve carbon manufactured by the Takeda Chemical Company of Japan in a pressure owing adsorption cycle for upgrading natural gas (methane) contaminated with nitrogen. Adsorption tests were conducted using this adsorbent in two, four, and five-step adsorption cycles. Separation performance was evaluated in terms of product purity, product recovery, and sorbent productivity for all tests. The tests were conducted in a small, single-column adsorption apparatus that held 120 grams of the adsorbent. Test variables included adsorption pressure, pressurization rate, purge rate and volume, feed rate, and flow direction in the steps from which the product was collected. Sorbent regeneration was accomplished by purging the column with the feed gas mixture for all but one test series where a pure methane purge was used. The ratio between the volumes of the pressurization gas and the purge gas streams was found to be an important factor in determining separation performance. Flow rates in the various cycle steps had no significant effect. Countercurrent flow in the blow-down and purge steps improved separation performance. Separation performance appears to improve with increasing adsorption pressure, but because there are a number of interrelated variables that are also effected by pressure, further testing will be needed to verify this. The work demonstrates that a molecular sieve carbon can be used to separate a mixture of methane and nitrogen when used in a pressure swing cycle with regeneration by purge. Further work is needed to increase product purity and product recovery.

  11. Massively parallel mathematical sieves

    SciTech Connect

    Montry, G.R.

    1989-01-01

    The Sieve of Eratosthenes is a well-known algorithm for finding all prime numbers in a given subset of integers. A parallel version of the Sieve is described that produces computational speedups over 800 on a hypercube with 1,024 processing elements for problems of fixed size. Computational speedups as high as 980 are achieved when the problem size per processor is fixed. The method of parallelization generalizes to other sieves and will be efficient on any ensemble architecture. We investigate two highly parallel sieves using scattered decomposition and compare their performance on a hypercube multiprocessor. A comparison of different parallelization techniques for the sieve illustrates the trade-offs necessary in the design and implementation of massively parallel algorithms for large ensemble computers.

  12. Application of computational fluid dynamics for the simulation of cryogenic molecular sieve bed absorber of hydrogen isotopes recovery system for Indian LLCB-TBM

    SciTech Connect

    Gayathri Devi, V.; Sircar, A.; Sarkar, B.

    2015-03-15

    One of the most challenging tasks in the design of the fuel cycle system lies in the effective design of Tritium Extraction System (TES) which involves proper extraction and purification of tritium in the fuel cycle of the fusion reactor. Indian Lead Lithium cooled Ceramic Breeder Test Blanket Module (LLCB-TBM) would extract hydrogen isotopes through Cryogenic Molecular Sieve Bed (CMSB) adsorber system. A prototype Hydrogen Isotopes Recovery System (HIRS) is being developed to validate the concepts for tritium extraction by adsorption mass transfer mechanism. In this study, a design model has been developed and analyzed to simulate the adsorption mass transfer kinetics in a fixed bed adsorption column. The simulation leads primarily to effective design of HIRS, which is a state-of-the-art technology. The paper describes the process simulation approach and the results of Computational Fluid Dynamics (CFD) analysis. The effects of different operating conditions are studied to investigate their influence on the hydrogen isotopes adsorption capacity. The results of the present simulation study would be used to understand the best optimized transport phenomenon before realizing the TES as a system for LLCB-TBM. (authors)

  13. 129Xe NMR of xenon adsorbed on the molecular sieves AlPO 4-11 and SAPO-11. Chemical shift anisotropy related to the asymmetry of the adsorption zones

    NASA Astrophysics Data System (ADS)

    Springuel-Huet, M. A.; Fraissard, J.

    1989-01-01

    The form of the 129Xe NMR signal of xenon adsorbed at low concentration on the molecular sieves SAPO-11 and AlPO 4-11 corresponds to a highly anisotropic chemical shift which expresses the asymmetry of the channels in which the xenon is located. To the asymmetry of the xenon-wall interaction is added that of the xenon-xenon interaction when the channels are largely filled.

  14. Itegrated Test and Evaluation of a 4-Bed Molecular Sieve (4BMS) Carbon Dioxide Removtal System (CDRA), Mechanical Compressor Engineering Development Unit (EDU), and Sabitier Engineering Development Unit (EDU)

    NASA Technical Reports Server (NTRS)

    Knox, James C.; Campbell, Melissa; Murdoch, Karen; Miller, Lee A.; Jeng, Frank

    2005-01-01

    Currently on the International Space Station s (ISS) U.S. Segment, carbon dioxide (CO2) scrubbed from the cabin by a 4-Bed Molecular Sieve (4BMS) Carbon Dioxide Removal Assembly (CDRA) is vented overboard as a waste product. Likewise, the product hydrogen (H2) that will be generated by the Oxygen Generation Assembly (OGA) planned for installation will also be vented. A flight experiment has been proposed that will take the waste CO2 removed from the cabin, and via the catalytic Sabatier process, reduce it with waste H2 to generate water and methane. The water produced may provide cost and logistics savings for ISS by reducing the amount of water periodically re-supplied to orbit. To make this concept viable, a mechanical piston compressor and accumulator were developed for collecting and storing the CO2 from the CDRA. The compressor, accumulator and Sabatier system would be packaged together as one unit and referred to as the Carbon Dioxide Reduction Assembly (CRA). Testing was required to evaluate the performance of a 4BMS CDRA, compressor, accumulator, and Sabatier performance along with their operating rules when integrated together. This had been numerically modeled and simulated; however, testing was necessary to verify the results from the engineering analyses. Testing also allowed a better understanding of the practical inefficiencies and control issues involved in a fully integrated system versus the theoretical ideals in the model. This paper presents and discusses the results of an integrated engineering development unit test.

  15. Microfluidic sieve valves

    SciTech Connect

    Quake, Stephen R; Marcus, Joshua S; Hansen, Carl L

    2015-01-13

    Sieve valves for use in microfluidic device are provided. The valves are useful for impeding the flow of particles, such as chromatography beads or cells, in a microfluidic channel while allowing liquid solution to pass through the valve. The valves find particular use in making microfluidic chromatography modules.

  16. Carbon fiber composite molecular sieves

    SciTech Connect

    Burchell, T.D.; Rogers, M.R.

    1997-12-01

    Monolithic adsorbents based on isotropic pitch fibers have been developed jointly by ORNL and the University of Kentucky, Center for Applied Energy Research. The monoliths are attractive for gas separation and storage applications because of their unique combination of physical properties and microporous structure. Currently at ORNL the monoliths are produced in billets that are 10 cm in diameter and 25 cm in length. The monolithic adsorbent material is being considered for guard bed applications on a natural gas (NG) powered device. In order for the material to be successful in this application, one must attain a uniform activation to modest micropore volumes throughout the large monoliths currently being produced. Here the authors report the results of a study directed toward attaining uniform activation in these billets.

  17. Research on Molecular Sieve Technology.

    ERIC Educational Resources Information Center

    Shah, Dhananjai B.; Hayhurst, David T.

    1985-01-01

    The zeolite synthesis and modification research program at Cleveland State University (Ohio) is described, including program philosophy and objectives, and research facilities. Also considers zeolite synthesis, adsorption on zeolites, kinetics of adsorption, and zeolite catalysis research. (JN)

  18. Optically controllable molecular logic circuits

    NASA Astrophysics Data System (ADS)

    Nishimura, Takahiro; Fujii, Ryo; Ogura, Yusuke; Tanida, Jun

    2015-07-01

    Molecular logic circuits represent a promising technology for observation and manipulation of biological systems at the molecular level. However, the implementation of molecular logic circuits for temporal and programmable operation remains challenging. In this paper, we demonstrate an optically controllable logic circuit that uses fluorescence resonance energy transfer (FRET) for signaling. The FRET-based signaling process is modulated by both molecular and optical inputs. Based on the distance dependence of FRET, the FRET pathways required to execute molecular logic operations are formed on a DNA nanostructure as a circuit based on its molecular inputs. In addition, the FRET pathways on the DNA nanostructure are controlled optically, using photoswitching fluorescent molecules to instruct the execution of the desired operation and the related timings. The behavior of the circuit can thus be controlled using external optical signals. As an example, a molecular logic circuit capable of executing two different logic operations was studied. The circuit contains functional DNAs and a DNA scaffold to construct two FRET routes for executing Input 1 AND Input 2 and Input 1 AND NOT Input 3 operations on molecular inputs. The circuit produced the correct outputs with all possible combinations of the inputs by following the light signals. Moreover, the operation execution timings were controlled based on light irradiation and the circuit responded to time-dependent inputs. The experimental results demonstrate that the circuit changes the output for the required operations following the input of temporal light signals.

  19. Optically controllable molecular logic circuits

    SciTech Connect

    Nishimura, Takahiro Fujii, Ryo; Ogura, Yusuke; Tanida, Jun

    2015-07-06

    Molecular logic circuits represent a promising technology for observation and manipulation of biological systems at the molecular level. However, the implementation of molecular logic circuits for temporal and programmable operation remains challenging. In this paper, we demonstrate an optically controllable logic circuit that uses fluorescence resonance energy transfer (FRET) for signaling. The FRET-based signaling process is modulated by both molecular and optical inputs. Based on the distance dependence of FRET, the FRET pathways required to execute molecular logic operations are formed on a DNA nanostructure as a circuit based on its molecular inputs. In addition, the FRET pathways on the DNA nanostructure are controlled optically, using photoswitching fluorescent molecules to instruct the execution of the desired operation and the related timings. The behavior of the circuit can thus be controlled using external optical signals. As an example, a molecular logic circuit capable of executing two different logic operations was studied. The circuit contains functional DNAs and a DNA scaffold to construct two FRET routes for executing Input 1 AND Input 2 and Input 1 AND NOT Input 3 operations on molecular inputs. The circuit produced the correct outputs with all possible combinations of the inputs by following the light signals. Moreover, the operation execution timings were controlled based on light irradiation and the circuit responded to time-dependent inputs. The experimental results demonstrate that the circuit changes the output for the required operations following the input of temporal light signals.

  20. Ultrasound- and Molecular Sieves-Assisted Synthesis, Molecular Docking and Antifungal Evaluation of 5-(4-(Benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones.

    PubMed

    Nimbalkar, Urja D; Tupe, Santosh G; Seijas Vazquez, Julio A; Khan, Firoz A Kalam; Sangshetti, Jaiprakash N; Nikalje, Anna Pratima G

    2016-01-01

    A novel series of 5-(4-(benzyloxy)substituted phenyl)-3-((phenyl amino)methyl)-1,3,4-oxadiazole-2(3H)-thione Mannich bases 6a-o were synthesized in good yield from the key compound 5-(4-(benzyloxy)phenyl)-1,3,4-oxadiazole-2(3H)-thione by aminomethylation with paraformaldehyde and substituted amines using molecular sieves and sonication as green chemistry tools. The antifungal activity of the new products was evaluated against seven human pathogenic fungal strains, namely, Candida albicans ATCC 24433, Candida albicans ATCC 10231, Candida glabrata NCYC 388, Cryptococcus neoformans ATCC 34664, Cryptococcus neoformans PRL 518, Aspergillus fumigatus NCIM 902 and Aspergillus niger ATCC 10578. The synthesized compounds 6d, 6f, 6g, 6h and 6j exhibited promising antifungal activity against the tested fungal pathogens. In molecular docking studies, derivatives 6c, 6f and 6i showed good binding at the active site of C. albicans cytochrome P450 enzyme lanosterol 14 α-demethylase. The in vitro antifungal activity results and docking studies indicated that the synthesized compounds have potential antifungal activity and can be further optimized as privileged scaffolds to design and develop potent antifungal drugs. PMID:27171073

  1. Generalized Fibonacci photon sieves.

    PubMed

    Ke, Jie; Zhang, Junyong

    2015-08-20

    We successfully extend the standard Fibonacci zone plates with two on-axis foci to the generalized Fibonacci photon sieves (GFiPS) with multiple on-axis foci. We also propose the direct and inverse design methods based on the characteristic roots of the recursion relation of the generalized Fibonacci sequences. By switching the transparent and opaque zones, according to the generalized Fibonacci sequences, we not only realize adjustable multifocal distances but also fulfill the adjustable compression ratio of focal spots in different directions. PMID:26368763

  2. Clad photon sieve for generating localized hollow beams

    NASA Astrophysics Data System (ADS)

    Cheng, Yiguang; Tong, Junmin; Zhu, Jiangping; Liu, Junbo; Hu, Song; He, Yu

    2016-02-01

    A novel photon sieve structure called clad photon sieve is proposed to generate localized hollow beams and its design principle and focusing properties are studied. The clad photon sieve is composed of the internal zone and external zone with pinholes being positioned on the dark zones. Pinholes in the internal zone and in the external zone give destructive interference to the focus, leading to localized hollow beams being generated on the focal plane. Focusing properties of clad photon sieve with different focal lengths, zone numbers and modulation factors are also studied by theoretical calculations, numerical simulations and experiments, showing that the central dark spot size can be controlled by the focal length and rings number, and the intensity of the central dark spot varies with different modulation factors related with the internal zone and the external zone. This photon sieve can be useful for trapping and manipulating of particles and cooling of atoms.

  3. Adaptive control of molecular alignment

    SciTech Connect

    Horn, C.; Wollenhaupt, M.; Krug, M.; Baumert, T.; Nalda, R. de; Banares, L.

    2006-03-15

    We demonstrate control on nonadiabatic molecular alignment by using a spectrally phase-shaped laser pulse. An evolutionary algorithm in a closed feedback loop has been used in order to find pulse shapes that maximize a given effect. In particular, this scheme has been applied to the optimization of total alignment, and to the control of the temporal structure of the alignment transient within a revival. Asymmetric temporal pulse shapes have been found to be very effective for the latter and have been studied separately in a single-parameter control scheme. Our experimental results are supported by numerical simulations.

  4. Surface Interaction and Quantum Kinetic Molecular Sieving for H2 and D2 Adsorption on a Mixed-Metal-Organic Framework Material

    SciTech Connect

    Chen, Banglin; Zhaou, Xuebo; Putkham, Apipong; Hong, Kunlun; Labkovsky, Emil B; Hurtado, Eric J; Fletcher, Ashleigh J; Thomas, K Mark

    2008-01-01

    two types of pores, a slow component with high activation energy (13.35 {+-} 0.59 kJ mol{sup -1}) for the narrow pores and a faster component with low activation energy (8.56 0.41 kJ mol{sup -1}). The D{sub 2} adsorption kinetic constants for both components were significantly faster than the corresponding H{sub 2} kinetics for specific pressure increments and had slightly lower activation energies than the corresponding values for H{sub 2} adsorption. The kD{sub 2}/kH{sub 2} ratio for the slow component was 1.62 {+-} 0.07, while the fast component was 1.38 {+-} 0.04 at 77.3 K, and the corresponding ratios were smaller at 87.3 K. These observations of kinetic isotope quantum molecular sieving in porous materials are due to the larger zero-point energy for the lighter H{sub 2}, resulting in slower adsorption kinetics compared with the heavier D{sub 2}. The results show that a combination of open metal centers and confinement in ultramicroporosity leads to a high enthalpy for H{sub 2} adsorption over a wide range of surface coverage and quantum effects influence diffusion of H{sub 2} and D{sub 2} in pores in M{prime}MOF 1.

  5. Quantum Control of Molecular Properties

    SciTech Connect

    Sola, I. R.; Gonzalez-Vazquez, J.; Santamaria, J.; Malinovsky, V. S.; Chang, B. Y.

    2007-12-26

    A general scheme is presented for controlling different molecular properties under strong pulse sequences working in the adiabatic regime. The strong laser pulses create laser induced potentials (LIP). The design of adiabatic schemes allows to move the wave function to the desired LIP. Manipulation of the structure of these LIPs and the starting energy of the wave function in the LIP, allows to control such different properties as bond lengths, vibrational motions, and intramolecular couplings. This work reviews some recent results under a unified frame and explores future applications.

  6. Turnover of Soluble Proteins in the Wheat Sieve Tube

    PubMed Central

    Fisher, Donald B.; Wu, Yujia; Ku, Maurice S. B.

    1992-01-01

    Although the enucleate conducting cells of the phloem are incapable of protein synthesis, phloem exudates characteristically contain low concentrations of soluble proteins. The role of these proteins and their movement into and out of the sieve tubes poses important questions for phloem physiology and for cell-to-cell protein movement via plasmodesmata. The occurrence of protein turnover in sieve tubes was investigated by [35S]methionine labeling and by the use of aphid stylets to sample the sieve tube contents at three points along a source-to-sink pathway (flag leaf to grains) in wheat plants (Triticum aestivum L.). Protein concentration and composition were similar at all sampling sites. The kinetics of 35S-labeling of protein suggested a basically source-to-sink pattern of movement for many proteins. However, an appreciable amount of protein synthesis and, presumably, removal also occurred along the path. This movement appeared to be protein specific and not based on passive molecular sieving. The results have important implications for the transport capacities of plasmodesmata between sieve tubes and companion cells. The observations considerably expand the possible basis for ongoing sieve tube-companion cell interactions and, perhaps, interaction between sources and sinks. Images Figure 2 Figure 3 Figure 4 Figure 5 Figure 8 Figure 10 Figure 11 Figure 12 PMID:16653142

  7. Cadherin selectivity filter regulates endothelial sieving properties

    PubMed Central

    Quadri, Sadiqa K.; Sun, Li; Islam, Mohammad Naimul; Shapiro, Lawrence; Bhattacharya, Jahar

    2013-01-01

    The molecular basis of endothelial protein sieving, the critical vascular barrier function that restricts flow of large plasma proteins into tissues while allowing small molecules and water to pass, is not understood. Here, we address this issue using a novel assay to detect macromolecular penetrance at microdomains of endothelial adherens junctions. Adherens junctions, as detected by cadherin-GFP expression, were distributed in the cell perimeter as high- or low-density segments. Low but not high-density segments permitted penetrance of a 70-kDa fluorescent dextran, a molecule of equivalent size to albumin. Expression of a cadherin mutant that abrogates strand–swap adhesive binding in the cadherin EC1 ectodomain, or alternatively of an α-actinin-1 mutant that inhibits F-actin bundling, increased both cadherin mobility and 70 kDa dextran penetrance at high-density segments. These findings suggest that adhesive interactions in the cadherin EC1 domain, which underlie adherens junction structure, are critical determinants of endothelial macromolecular sieving. PMID:23033075

  8. Multiprocessing the Sieve of Eratosthenes

    SciTech Connect

    Bokhari, S.H.

    1987-04-01

    More than two thousand years ago, Eratosthenes of Cyrene described a procedure for finding all prime numbers in a given range. This straightforward algorithm, known as the Sieve of Eratosthenes, is to this day the only procedure for finding prime numbers. In recent years it has been of interest to computer scientists and engineers because it serves as a convenient benchmark against which to measure some aspects of a computer's performance. Specifically, the Sieve tests the power of a machine (or of a compiler) to access a very large array in memory rapidly and repeatedly. This power is clearly influenced by memory access time, the speed at which indexing is done, and the overhead of looping. The parallel version of the Sieve is very useful as a test of some of the capabilities of a parallel machine. The parallel algorithm is straightforward, and so is the process for checking the final results. However, the efficient implementation of the algorithm on a real parallel machine, especially in the dynamic load-balancing case, requires thoughtful design.

  9. Molecular control of facial morphology

    PubMed Central

    Liu, B.; Rooker, S.M.; Helms, J.A.

    2010-01-01

    We present a developmental perspective on the concept of phylotypic and phenotypic stages of craniofacial development. Within Orders of avians and mammals, a phylotypic period exists when the morphology of the facial prominences is minimally divergent. We postulate that species-specific facial variations arise as a result of subtle shifts in the timing and the duration of molecular pathway activity (e.g., heterochrony), and present evidence demonstrating a critical role for Wnt and FGF signaling in this process. The same molecular pathways that shape the vertebrate face are also implicated in craniofacial deformities, indicating that comparisons between and among animal species may represent a novel method for the identification of human craniofacial disease genes. PMID:19747977

  10. Preparation of amorphous sulfide sieves

    DOEpatents

    Siadati, Mohammad H.; Alonso, Gabriel; Chianelli, Russell R.

    2006-11-07

    The present invention involves methods and compositions for synthesizing catalysts/porous materials. In some embodiments, the resulting materials are amorphous sulfide sieves that can be mass-produced for a variety of uses. In some embodiments, methods of the invention concern any suitable precursor (such as thiomolybdate salt) that is exposed to a high pressure pre-compaction, if need be. For instance, in some cases the final bulk shape (but highly porous) may be same as the original bulk shape. The compacted/uncompacted precursor is then subjected to an open-flow hot isostatic pressing, which causes the precursor to decompose and convert to a highly porous material/catalyst.

  11. A patterned anisotropic nanofluidic sieving structure for continuous-flow separation of DNA and proteins

    PubMed Central

    Fu, Jianping; Schoch, Reto B.; Stevens, Anna L.; Tannenbaum, Steven R.; Han, Jongyoon

    2008-01-01

    Microfabricated regular sieving structures hold great promise as an alternative to gels to improve biomolecule separation speed and resolution. In contrast to disordered gel porous networks, these regular structures also provide well-defined environments ideal for study of molecular dynamics in confining spaces. However, previous regular sieving structures have been limited for separation of long DNA molecules, and separation of smaller, physiologically-relevant macromolecules, such as proteins, still remains as a challenge. Here we report a microfabricated anisotropic sieving structure consisting of a two-dimensional periodic nanofluidic filter array (Anisotropic Nanofilter Array: ANA). The designed structural anisotropy in the ANA causes different-sized or -charged biomolecules to follow distinct trajectories, leading to efficient separation. Continuous-flow size-based separation of DNA and proteins as well as electrostatic separation of proteins were achieved, thus demonstrating the potential of the ANA as a generic molecular sieving structure for an integrated biomolecule sample preparation and analysis system. PMID:18654231

  12. Semiclassical guided optimal control of molecular dynamics

    SciTech Connect

    Kondorskiy, A.; Mil'nikov, G.; Nakamura, H.

    2005-10-15

    An efficient semiclassical optimal control theory applicable to multidimensional systems is formulated for controlling wave packet dynamics on a single adiabatic potential energy surface. The approach combines advantages of different formulations of optimal control theory: quantum and classical on one hand and global and local on the other. Numerical applications to the control of HCN-CNH isomerization demonstrate that this theory can provide an efficient tool to manipulate molecular dynamics of many degrees of freedom by laser pulses.

  13. Molecular controls of arterial morphogenesis

    PubMed Central

    Simons, Michael; Eichmann, Anne

    2015-01-01

    Formation of arterial vasculature, here termed arteriogenesis, is a central process in embryonic vascular development as well as in adult tissues. While the process of capillary formation, angiogenesis, is relatively well understood, much remains to be learned about arteriogenesis. Recent discoveries point to the key role played by vascular endothelial growth factor receptor 2 (VEGFR2) in control of this process and to newly identified control circuits that dramatically influence its activity. The latter can present particularly attractive targets for a new class of therapeutic agents capable of activation of this signaling cascade in a ligand-independent manner, thereby promoting arteriogenesis in diseased tissues. PMID:25953926

  14. Multiprocessing the Sieve of Eratosthenes

    NASA Technical Reports Server (NTRS)

    Bokhari, S.

    1986-01-01

    The Sieve of Eratosthenes for finding prime numbers in recent years has seen much use as a benchmark algorithm for serial computers while its intrinsically parallel nature has gone largely unnoticed. The implementation of a parallel version of this algorithm for a real parallel computer, the Flex/32, is described and its performance discussed. It is shown that the algorithm is sensitive to several fundamental performance parameters of parallel machines, such as spawning time, signaling time, memory access, and overhead of process switching. Because of the nature of the algorithm, it is impossible to get any speedup beyond 4 or 5 processors unless some form of dynamic load balancing is employed. We describe the performance of our algorithm with and without load balancing and compare it with theoretical lower bounds and simulated results. It is straightforward to understand this algorithm and to check the final results. However, its efficient implementation on a real parallel machine requires thoughtful design, especially if dynamic load balancing is desired. The fundamental operations required by the algorithm are very simple: this means that the slightest overhead appears prominently in performance data. The Sieve thus serves not only as a very severe test of the capabilities of a parallel processor but is also an interesting challenge for the programmer.

  15. Effect of H{sub 3}PW{sub 12}O{sub 40} impregnation on Sn-MCM-41 mesoporous molecular sieves and their physico-chemical properties

    SciTech Connect

    Nedumaran, D.; Pandurangan, A.

    2015-01-15

    Graphical abstract: The wide angle XRD shows the well dispersion of HPWA in Sn-MCM-41. It enhances the total acidity of the material. The acidity of the material is correlated with sulfone selectivity. The FT-IR of dibenzothiophene and product shows the formation of sulfone (DBTO{sub 2}). - Highlights: • To enhance the total acidity of Sn-MCM-41 TPA is impregnated. • FT-IR and {sup 31}P MAS NMR confirms the HPWA intact on Sn-MCM-41. • EDAX shows the presence of W and P on Sn-MCM-41. • In ODS formation of sulfone was confirmed by FT-IR and {sup 1}H NMR. • The order of the catalytic activity of the catalysts are 18HSnM > 28HSnM > 8HSnM. - Abstract: Si-Sn-MCM-41 (Si/Sn = 110) mesoporous molecular sieve was synthesized by hydrothermal sol–gel method using cetyltrimethylammonium bromide (CTAB) as surfactant and SnCl{sub 4}·5H{sub 2}O as a metal source. To generate surface acidity of Si-Sn-MCM-41, 12-tungstophosphoric acid (HPWA) is impregnated on it. The acidity of HPWA loading on Sn-MCM-41 was investigated by temperature programmed desorption of NH{sub 3}. The diffused reflectance spectra of ultraviolet radiation, Raman spectra, FT-IR, {sup 29}Si-MAS NMR and {sup 31}P-MAS NMR techniques revealed the intact of α-Keggin anions on Sn-MCM-41. The wide angle XRD results showed that the HPWA is well dispersed on the support. The total acidity was enhanced with increase in loading of H{sub 3}PW{sub 12}O{sub 40}. The catalytic activity was examined in desulfurization of dibenzothiophene in vapor phase system. Among the catalysts 18% HPWA loaded Sn-MCM-41 showed good catalytic activity in desulfurization at 325 °C. The HPWA/Sn-MCM-41 are a suitable solid acid catalyst for converting organic sulfur into insoluble sulfone.

  16. Comparative Modal Analysis of Sieve Hardware Designs

    NASA Technical Reports Server (NTRS)

    Thompson, Nathaniel

    2012-01-01

    The CMTB Thwacker hardware operates as a testbed analogue for the Flight Thwacker and Sieve components of CHIMRA, a device on the Curiosity Rover. The sieve separates particles with a diameter smaller than 150 microns for delivery to onboard science instruments. The sieving behavior of the testbed hardware should be similar to the Flight hardware for the results to be meaningful. The elastodynamic behavior of both sieves was studied analytically using the Rayleigh Ritz method in conjunction with classical plate theory. Finite element models were used to determine the mode shapes of both designs, and comparisons between the natural frequencies and mode shapes were made. The analysis predicts that the performance of the CMTB Thwacker will closely resemble the performance of the Flight Thwacker within the expected steady state operating regime. Excitations of the testbed hardware that will mimic the flight hardware were recommended, as were those that will improve the efficiency of the sieving process.

  17. An artificial compound eye of photon Sieves

    NASA Astrophysics Data System (ADS)

    Jiang, Wenbo; Hu, Song; He, Yu; Bu, Yun

    2015-11-01

    The compound eye of insects has numerous extraordinary optical performances, such as minimum chromatic aberration, wide-angle field of view, and high sensitivity to the incidence light. Inspired by these unique performances, we present a novel artificial compound eye of photon sieves in this paper, where the photon sieves play the roles of insects' ommatidia. These photon sieves have the same focal length. The incidence light can be focused into the same focal plane and produce the superposition effect, the utilization ratio of energy can be largely improved. Through the numerical simulation, the results show that this novel structure has similar focusing performance with the conventional photon sieves, but has higher utilization ratio of energy and wider angle field of view than that of the conventional photon sieves. Our findings provide a new direction for optics and biology researchers, which will be beneficial for medical imaging, astronomy, etc.

  18. Optimally designed fields for controlling molecular dynamics

    NASA Astrophysics Data System (ADS)

    Rabitz, Herschel

    1991-10-01

    This research concerns the development of molecular control theory techniques for designing optical fields capable of manipulating molecular dynamic phenomena. Although is has been long recognized that lasers should be capable of manipulating dynamic events, many frustrating years of intuitively driven laboratory studies only serve to illustrate the point that the task is complex and defies intuition. The principal new component in the present research is the recognition that this problem falls into the category of control theory and its inherent complexities require the use of modern control theory tools largely developed in the engineering disciplines. Thus, the research has initiated a transfer of the control theory concepts to the molecular scale. Although much contained effort will be needed to fully develop these concepts, the research in this grant set forth the basic components of the theory and carried out illustrative studies involving the design of optical fields capable of controlling rotational, vibrational and electronic degrees of freedom. Optimal control within the quantum mechanical molecular realm represents a frontier area with many possible ultimate applications. At this stage, the theoretical tools need to be joined with merging laboratory optical pulse shaping capabilities to illustrate the power of the concepts.

  19. Cavity-Controlled Chemistry in Molecular Ensembles

    NASA Astrophysics Data System (ADS)

    Herrera, Felipe; Spano, Frank C.

    2016-06-01

    The demonstration of strong and ultrastrong coupling regimes of cavity QED with polyatomic molecules has opened new routes to control chemical dynamics at the nanoscale. We show that strong resonant coupling of a cavity field with an electronic transition can effectively decouple collective electronic and nuclear degrees of freedom in a disordered molecular ensemble, even for molecules with high-frequency quantum vibrational modes having strong electron-vibration interactions. This type of polaron decoupling can be used to control chemical reactions. We show that the rate of electron transfer reactions in a cavity can be orders of magnitude larger than in free space for a wide class of organic molecular species.

  20. Electrostatic control of thermoelectricity in molecular junctions.

    PubMed

    Kim, Youngsang; Jeong, Wonho; Kim, Kyeongtae; Lee, Woochul; Reddy, Pramod

    2014-11-01

    Molecular junctions hold significant promise for efficient and high-power-output thermoelectric energy conversion. Recent experiments have probed the thermoelectric properties of molecular junctions. However, electrostatic control of thermoelectric properties via a gate electrode has not been possible due to technical challenges in creating temperature differentials in three-terminal devices. Here, we show that extremely large temperature gradients (exceeding 1 × 10(9) K m(-1)) can be established in nanoscale gaps bridged by molecules, while simultaneously controlling their electronic structure via a gate electrode. Using this platform, we study prototypical Au-biphenyl-4,4'-dithiol-Au and Au-fullerene-Au junctions to demonstrate that the Seebeck coefficient and the electrical conductance of molecular junctions can be simultaneously increased by electrostatic control. Moreover, from our studies of fullerene junctions, we show that thermoelectric properties can be significantly enhanced when the dominant transport orbital is located close to the chemical potential (Fermi level) of the electrodes. These results illustrate the intimate relationship between the thermoelectric properties and charge transmission characteristics of molecular junctions and should enable systematic exploration of the recent computational predictions that promise extremely efficient thermoelectric energy conversion in molecular junctions. PMID:25282046

  1. Molecular entomology and prospects for malaria control.

    PubMed Central

    Collins, F. H.; Kamau, L.; Ranson, H. A.; Vulule, J. M.

    2000-01-01

    During the past decade, the techniques of molecular and cell biology have been embraced by many scientists doing research on anopheline vectors of malaria parasites. Some of the most important research advances in molecular entomology have concerned the development of sophisticated molecular tools for procedures such as genetic and physical mapping and germ line transformation. Major advances have also been made in the study of specific biological processes such as insect defence against pathogens and the manner in which malaria parasites and their anopheline hosts interact during sporogony. One of the most important highlights of this research trend has been the emergence during the past year of a formal international Anopheles gambiae genome project, which at present includes investigators in several laboratories in Europe and the USA. Although much of this molecular research is directed towards the development of malaria control strategies that are probably many years from implementation, there are some important areas of molecular entomology that may have a more near-term impact on malaria control. We highlight developments over the past decade in three such areas that we believe can make important contributions to the development of near-term malaria control strategies. These areas are anopheline species identification, the detection and monitoring of insecticide susceptibility/resistance in wild anopheline populations and the determination of the genetic structure of anopheline populations. PMID:11196488

  2. Biofuel Manufacturing from Woody Biomass: Effects of Sieve Size Used in Biomass Size Reduction

    PubMed Central

    Zhang, Meng; Song, Xiaoxu; Deines, T. W.; Pei, Z. J.; Wang, Donghai

    2012-01-01

    Size reduction is the first step for manufacturing biofuels from woody biomass. It is usually performed using milling machines and the particle size is controlled by the size of the sieve installed on a milling machine. There are reported studies about the effects of sieve size on energy consumption in milling of woody biomass. These studies show that energy consumption increased dramatically as sieve size became smaller. However, in these studies, the sugar yield (proportional to biofuel yield) in hydrolysis of the milled woody biomass was not measured. The lack of comprehensive studies about the effects of sieve size on energy consumption in biomass milling and sugar yield in hydrolysis process makes it difficult to decide which sieve size should be selected in order to minimize the energy consumption in size reduction and maximize the sugar yield in hydrolysis. The purpose of this paper is to fill this gap in the literature. In this paper, knife milling of poplar wood was conducted using sieves of three sizes (1, 2, and 4 mm). Results show that, as sieve size increased, energy consumption in knife milling decreased and sugar yield in hydrolysis increased in the tested range of particle sizes. PMID:22665985

  3. Molecular, metabolic, and genetic control: An introduction.

    PubMed

    Tyson, John J.; Mackey, Michael C.

    2001-03-01

    The living cell is a miniature, self-reproducing, biochemical machine. Like all machines, it has a power supply, a set of working components that carry out its necessary tasks, and control systems that ensure the proper coordination of these tasks. In this Special Issue, we focus on the molecular regulatory systems that control cell metabolism, gene expression, environmental responses, development, and reproduction. As for the control systems in human-engineered machines, these regulatory networks can be described by nonlinear dynamical equations, for example, ordinary differential equations, reaction-diffusion equations, stochastic differential equations, or cellular automata. The articles collected here illustrate (i) a range of theoretical problems presented by modern concepts of cellular regulation, (ii) some strategies for converting molecular mechanisms into dynamical systems, (iii) some useful mathematical tools for analyzing and simulating these systems, and (iv) the sort of results that derive from serious interplay between theory and experiment. (c) 2001 American Institute of Physics. PMID:12779443

  4. Femtosecond quantum control of molecular bond formation

    PubMed Central

    Nuernberger, Patrick; Wolpert, Daniel; Weiss, Horst; Gerber, Gustav

    2010-01-01

    Ultrafast lasers are versatile tools used in many scientific areas, from welding to eye surgery. They are also used to coherently manipulate light–matter interactions such as chemical reactions, but so far control experiments have concentrated on cleavage or rearrangement of existing molecular bonds. Here we demonstrate the synthesis of several molecular species starting from small reactant molecules in laser-induced catalytic surface reactions, and even the increase of the relative reaction efficiency by feedback-optimized laser pulses. We show that the control mechanism is nontrivial and sensitive to the relative proportion of the reactants. The control experiments open up a pathway towards photocatalysis and are relevant for research in physics, chemistry, and biology where light-induced bond formation is important. PMID:20505117

  5. Controlling molecular transport in minimal emulsions

    PubMed Central

    Gruner, Philipp; Riechers, Birte; Semin, Benoît; Lim, Jiseok; Johnston, Abigail; Short, Kathleen; Baret, Jean-Christophe

    2016-01-01

    Emulsions are metastable dispersions in which molecular transport is a major mechanism driving the system towards its state of minimal energy. Determining the underlying mechanisms of molecular transport between droplets is challenging due to the complexity of a typical emulsion system. Here we introduce the concept of ‘minimal emulsions', which are controlled emulsions produced using microfluidic tools, simplifying an emulsion down to its minimal set of relevant parameters. We use these minimal emulsions to unravel the fundamentals of transport of small organic molecules in water-in-fluorinated-oil emulsions, a system of great interest for biotechnological applications. Our results are of practical relevance to guarantee a sustainable compartmentalization of compounds in droplet microreactors and to design new strategies for the dynamic control of droplet compositions. PMID:26797564

  6. Controlling molecular transport in minimal emulsions

    NASA Astrophysics Data System (ADS)

    Gruner, Philipp; Riechers, Birte; Semin, Benoît; Lim, Jiseok; Johnston, Abigail; Short, Kathleen; Baret, Jean-Christophe

    2016-01-01

    Emulsions are metastable dispersions in which molecular transport is a major mechanism driving the system towards its state of minimal energy. Determining the underlying mechanisms of molecular transport between droplets is challenging due to the complexity of a typical emulsion system. Here we introduce the concept of `minimal emulsions', which are controlled emulsions produced using microfluidic tools, simplifying an emulsion down to its minimal set of relevant parameters. We use these minimal emulsions to unravel the fundamentals of transport of small organic molecules in water-in-fluorinated-oil emulsions, a system of great interest for biotechnological applications. Our results are of practical relevance to guarantee a sustainable compartmentalization of compounds in droplet microreactors and to design new strategies for the dynamic control of droplet compositions.

  7. Controlling molecular transport in minimal emulsions.

    PubMed

    Gruner, Philipp; Riechers, Birte; Semin, Benoît; Lim, Jiseok; Johnston, Abigail; Short, Kathleen; Baret, Jean-Christophe

    2016-01-01

    Emulsions are metastable dispersions in which molecular transport is a major mechanism driving the system towards its state of minimal energy. Determining the underlying mechanisms of molecular transport between droplets is challenging due to the complexity of a typical emulsion system. Here we introduce the concept of 'minimal emulsions', which are controlled emulsions produced using microfluidic tools, simplifying an emulsion down to its minimal set of relevant parameters. We use these minimal emulsions to unravel the fundamentals of transport of small organic molecules in water-in-fluorinated-oil emulsions, a system of great interest for biotechnological applications. Our results are of practical relevance to guarantee a sustainable compartmentalization of compounds in droplet microreactors and to design new strategies for the dynamic control of droplet compositions. PMID:26797564

  8. Molecular control of fission yeast cytokinesis.

    PubMed

    Rincon, Sergio A; Paoletti, Anne

    2016-05-01

    Cytokinesis gives rise to two independent daughter cells at the end of the cell division cycle. The fission yeast Schizosaccharomyces pombe has emerged as one of the most powerful systems to understand how cytokinesis is controlled molecularly. Like in most eukaryotes, fission yeast cytokinesis depends on an acto-myosin based contractile ring that assembles at the division site under the control of spatial cues that integrate information on cell geometry and the position of the mitotic apparatus. Cytokinetic events are also tightly coordinated with nuclear division by the cell cycle machinery. These spatial and temporal regulations ensure an equal cleavage of the cytoplasm and an accurate segregation of the genetic material in daughter cells. Although this model system has specificities, the basic mechanisms of contractile ring assembly and function deciphered in fission yeast are highly valuable to understand how cytokinesis is controlled in other organisms that rely on a contractile ring for cell division. PMID:26806637

  9. Desiccant humidity control system

    NASA Technical Reports Server (NTRS)

    Amazeen, J. (Editor)

    1973-01-01

    A regenerable sorbent system was investigated for controlling the humidity and carbon dioxide concentration of the space shuttle cabin atmosphere. The sorbents considered for water and carbon dioxide removal were silica gel and molecular sieves. Bed optimization and preliminary system design are discussed along with system optimization studies and weight penalites.

  10. Generation of optical vortices by apodized photon sieves

    NASA Astrophysics Data System (ADS)

    Sun, Hai-bin; Wang, Xing-hai; Chen, Jun; Sun, Ping

    2016-05-01

    As a novel diffractive optical element, photon sieve has good focusing properties. We propose a method to verify the focusing properties by using apodized photon sieves. The apodized photon sieve is obtained by using a Gaussian window function to modulate the general photon sieve. Focusing properties of apodized photon sieve are studied by numerical simulations and experiments. It shows that photon sieves have good focusing ability, and the focusing ability of the photon sieve on the focal plane is stronger than that on other image planes. The experimental results also demonstrate that photon sieves can be used to generate optical vortices. The existence of optical vortices is confirmed by the formation of fork fringes. This apodized photon sieve is expected to have some practical applications in focusing analysis, optical imaging, and optical communication.

  11. Sieve efficiency in benthic sampling as related to chironomid head capsule width

    USGS Publications Warehouse

    Hudson, Patrick L.; Adams, Jean V.

    1998-01-01

    The width of the head capsule in chironomid larvae is the most important morphometric character controlling retention of specimens in sieving devices. Knowledge of the range in size of these widths within any chironomid community is fundamental to sampling and interpreting the resulting data. We present the head capsule widths of 30 species of chironomids and relate their size distribution to loss or retention in several experiments using graded sieve sizes. Based on our measurements and those found in the literature we found the head capsule width of fourth instars in half the chironomids species to be less than 350 I?m. Many species may never be collected with the commonly used U.S. Standard No. 30 sieve (589 I?m), and the No. 60 (246 I?m) screen appears to retain most species only qualitatively. We found 70 to 90% of the chironomid larvae and 19 to 34% of their biomass can pass through a No. 80 sieve (177 I?m). The implications of sieve loss and other factors affecting sieving efficiency are discussed.

  12. Remotely Controlled Isomer Selective Molecular Switching.

    PubMed

    Schendel, Verena; Borca, Bogdana; Pentegov, Ivan; Michnowicz, Tomasz; Kraft, Ulrike; Klauk, Hagen; Wahl, Peter; Schlickum, Uta; Kern, Klaus

    2016-01-13

    Nonlocal addressing-the "remote control"-of molecular switches promises more efficient processing for information technology, where fast speed of switching is essential. The surface state of the (111) facets of noble metals, a confined two-dimensional electron gas, provides a medium that enables transport of signals over large distances and hence can be used to address an entire ensemble of molecules simultaneously with a single stimulus. In this study we employ this characteristic to trigger a conformational switch in anthradithiophene (ADT) molecules by injection of hot carriers from a scanning tunneling microscope (STM) tip into the surface state of Cu(111). The carriers propagate laterally and trigger the switch in molecules at distances as far as 100 nm from the tip location. The switching process is shown to be long-ranged, fully reversible, and isomer selective, discriminating between cis and trans diastereomers, enabling maximum control. PMID:26619213

  13. SEORious business: structural proteins in sieve tubes and their involvement in sieve element occlusion.

    PubMed

    Knoblauch, Michael; Froelich, Daniel R; Pickard, William F; Peters, Winfried S

    2014-04-01

    The phloem provides a network of sieve tubes for long-distance translocation of photosynthates. For over a century, structural proteins in sieve tubes have presented a conundrum since they presumably increase the hydraulic resistance of the tubes while no potential function other than sieve tube or wound sealing in the case of injury has been suggested. Here we summarize and critically evaluate current speculations regarding the roles of these proteins. Our understanding suffers from the suggestive power of images; what looks like a sieve tube plug on micrographs may not actually impede translocation very much. Recent reports of an involvement of SEOR (sieve element occlusion-related) proteins, a class of P-proteins, in the sealing of injured sieve tubes are inconclusive; various lines of evidence suggest that, in neither intact nor injured plants, are SEORs determinative of translocation stoppage. Similarly, the popular notion that P-proteins serve in the defence against phloem sap-feeding insects is unsupported by empirical facts; it is conceivable that in functional sieve tubes, aphids actually could benefit from inducing a plug. The idea that rising cytosolic Ca(2+) generally triggers sieve tube blockage by P-proteins appears widely accepted, despite lacking experimental support. Even in forisomes, P-protein assemblages restricted to one single plant family and the only Ca(2+)-responsive P-proteins known, the available evidence does not unequivocally suggest that plug formation is the cause rather than a consequence of translocation stoppage. We conclude that the physiological roles of structural P-proteins remain elusive, and that in vivo studies of their dynamics in continuous sieve tube networks combined with flow velocity measurements will be required to (hopefully) resolve this scientific roadblock. PMID:24591057

  14. Molecular control of grass inflorescence development.

    PubMed

    Zhang, Dabing; Yuan, Zheng

    2014-01-01

    The grass family is one of the largest families in angiosperms and has evolved a characteristic inflorescence morphology, with complex branches and specialized spikelets. The origin and development of the highly divergent inflorescence architecture in grasses have recently received much attention. Increasing evidence has revealed that numerous factors, such as transcription factors and plant hormones, play key roles in determining reproductive meristem fate and inflorescence patterning in grasses. Moreover, some molecular switches that have been implicated in specifying inflorescence shapes contribute significantly to grain yields in cereals. Here, we review key genetic and molecular switches recently identified from two model grass species, rice (Oryza sativa) and maize (Zea mays), that regulate inflorescence morphology specification, including meristem identity, meristem size and maintenance, initiation and outgrowth of axillary meristems, and organogenesis. Furthermore, we summarize emerging networks of genes and pathways in grass inflorescence morphogenesis and emphasize their evolutionary divergence in comparison with the model eudicot Arabidopsis thaliana. We also discuss the agricultural application of genes controlling grass inflorescence development. PMID:24471834

  15. 7 CFR 801.8 - Tolerances for sieves.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ....3 percent, mean deviation from standard sieve using barley ±0.5 percent, mean deviation from standard sieve using barley 55/64×3/4 inch slotted ±0.5 percent, mean deviation from standard sieve using barley ±0.7 percent, mean deviation from standard sieve using barley 6/64×3/4 inch slotted ±0.7...

  16. 7 CFR 801.8 - Tolerances for sieves.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ....3 percent, mean deviation from standard sieve using barley ±0.5 percent, mean deviation from standard sieve using barley 55/64×3/4 inch slotted ±0.5 percent, mean deviation from standard sieve using barley ±0.7 percent, mean deviation from standard sieve using barley 6/64×3/4 inch slotted ±0.7...

  17. 7 CFR 801.8 - Tolerances for sieves.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ....3 percent, mean deviation from standard sieve using barley ±0.5 percent, mean deviation from standard sieve using barley 55/64×3/4 inch slotted ±0.5 percent, mean deviation from standard sieve using barley ±0.7 percent, mean deviation from standard sieve using barley 6/64×3/4 inch slotted ±0.7...

  18. 7 CFR 801.8 - Tolerances for sieves.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ....3 percent, mean deviation from standard sieve using barley ±0.5 percent, mean deviation from standard sieve using barley 55/64×3/4 inch slotted ±0.5 percent, mean deviation from standard sieve using barley ±0.7 percent, mean deviation from standard sieve using barley 6/64×3/4 inch slotted ±0.7...

  19. 7 CFR 801.8 - Tolerances for sieves.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ....3 percent, mean deviation from standard sieve using barley ±0.5 percent, mean deviation from standard sieve using barley 55/64×3/4 inch slotted ±0.5 percent, mean deviation from standard sieve using barley ±0.7 percent, mean deviation from standard sieve using barley 6/64×3/4 inch slotted ±0.7...

  20. Recent Improvements To the Sieve of Eratosthenes.

    ERIC Educational Resources Information Center

    Quesada, Antonio R.

    1997-01-01

    Presents recently developed generalizations to the sieve of Eratosthenes, showing the principles underlying these improvements, which increase its efficiency without changing too much of its simplicity. Offers several possibilities to propose good investigations for students to explore, find patterns, and make generalizations. (JRH)

  1. Chronic recording of regenerating VIIIth nerve axons with a sieve electrode

    NASA Technical Reports Server (NTRS)

    Mensinger, A. F.; Anderson, D. J.; Buchko, C. J.; Johnson, M. A.; Martin, D. C.; Tresco, P. A.; Silver, R. B.; Highstein, S. M.

    2000-01-01

    A micromachined silicon substrate sieve electrode was implanted within transected toadfish (Opsanus tau) otolith nerves. High fidelity, single unit neural activity was recorded from seven alert and unrestrained fish 30 to 60 days after implantation. Fibrous coatings of genetically engineered bioactive protein polymers and nerve guide tubes increased the number of axons regenerating through the electrode pores when compared with controls. Sieve electrodes have potential as permanent interfaces to the nervous system and to bridge missing connections between severed or damaged nerves and muscles. Recorded impulses might also be amplified and used to control prosthetic devices.

  2. The Molecular Control of Blood Cell Development

    NASA Astrophysics Data System (ADS)

    Sachs, Leo

    1987-12-01

    The establishment of a cell culture system for the clonal development of blood cells has made it possible to identify the proteins that regulate the growth and differentiation of different blood cell lineages and to discover the molecular basis of normal and abnormal cell development in blood forming tissues. A model system with myeloid blood cells has shown that (i) normal blood cells require different proteins to induce cell multiplication (growth inducers) and cell differentiation (differentiation inducers), (ii) there is a hierarchy of growth inducers as cells become more restricted in their developmental program, and (iii) a cascade of interactions between proteins determines the correct balance between immature and mature cells in normal blood cell development. Gene cloning has shown that there is a family of different genes for these proteins. Normal protein regulators of blood cell development can control the abnormal growth of certain types of leukemic cells and suppress malignancy by incuding differentiation to mature nondividing cells. Chromosome abnormalities that give rise to malignancy in these leukemic cells can be bypassed and their effects nullified by inducing differentiation, which stops cells from multiplying. These blood cell regulatory proteins are active in culture and in the body, and they can be used clinically to correct defects in blood cell development.

  3. Molecular and genetic control of plant thermomorphogenesis.

    PubMed

    Quint, Marcel; Delker, Carolin; Franklin, Keara A; Wigge, Philip A; Halliday, Karen J; van Zanten, Martijn

    2016-01-01

    Temperature is a major factor governing the distribution and seasonal behaviour of plants. Being sessile, plants are highly responsive to small differences in temperature and adjust their growth and development accordingly. The suite of morphological and architectural changes induced by high ambient temperatures, below the heat-stress range, is collectively called thermomorphogenesis. Understanding the molecular genetic circuitries underlying thermomorphogenesis is particularly relevant in the context of climate change, as this knowledge will be key to rational breeding for thermo-tolerant crop varieties. Until recently, the fundamental mechanisms of temperature perception and signalling remained unknown. Our understanding of temperature signalling is now progressing, mainly by exploiting the model plant Arabidopsis thaliana. The transcription factor PHYTOCHROME INTERACTING FACTOR 4 (PIF4) has emerged as a critical player in regulating phytohormone levels and their activity. To control thermomorphogenesis, multiple regulatory circuits are in place to modulate PIF4 levels, activity and downstream mechanisms. Thermomorphogenesis is integrally governed by various light signalling pathways, the circadian clock, epigenetic mechanisms and chromatin-level regulation. In this Review, we summarize recent progress in the field and discuss how the emerging knowledge in Arabidopsis may be transferred to relevant crop systems. PMID:27250752

  4. Factorization using the quadratic sieve algorithm

    SciTech Connect

    Davis, J.A.; Holdridge, D.B.

    1983-12-01

    Since the cryptosecurity of the RSA two key cryptoalgorithm is no greater than the difficulty of factoring the modulus (product of two secret primes), a code that implements the Quadratic Sieve factorization algorithm on the CRAY I computer has been developed at the Sandia National Laboratories to determine as sharply as possible the current state-of-the-art in factoring. Because all viable attacks on RSA thus far proposed are equivalent to factorization of the modulus, sharper bounds on the computational difficulty of factoring permit improved estimates for the size of RSA parameters needed for given levels of cryptosecurity. Analysis of the Quadratic Sieve indicates that it may be faster than any previously published general purpose algorithm for factoring large integers. The high speed of the CRAY I coupled with the capability of the CRAY to pipeline certain vectorized operations make this algorithm (and code) the front runner in current factoring techniques.

  5. Factorization using the quadratic sieve algorithm

    SciTech Connect

    Davis, J.A.; Holdridge, D.B.

    1983-01-01

    Since the cryptosecurity of the RSA two key cryptoalgorithm is no greater than the difficulty of factoring the modulus (product of two secret primes), a code that implements the Quadratic Sieve factorization algorithm on the CRAY I computer has been developed at the Sandia National Laboratories to determine as sharply as possible the current state-of-the-art in factoring. Because all viable attacks on RSA thus far proposed are equivalent to factorization of the modulus, sharper bounds on the computational difficulty of factoring permit improved estimates for the size of RSA parameters needed for given levels of cryptosecurity. Analysis of the Quadratic Sieve indicates that it may be faster than any previously published general purpose algorithm for factoring large integers. The high speed of the CRAY I coupled with the capability of the CRAY to pipeline certain vectorized operations make this algorithm (and code) the front runner in current factoring techniques.

  6. Sieve Tube Geometry in Relation to Phloem Flow

    PubMed Central

    Mullendore, Daniel L.; Windt, Carel W.; Van As, Henk; Knoblauch, Michael

    2010-01-01

    Sieve elements are one of the least understood cell types in plants. Translocation velocities and volume flow to supply sinks with photoassimilates greatly depend on the geometry of the microfluidic sieve tube system and especially on the anatomy of sieve plates and sieve plate pores. Several models for phloem translocation have been developed, but appropriate data on the geometry of pores, plates, sieve elements, and flow parameters are lacking. We developed a method to clear cells from cytoplasmic constituents to image cell walls by scanning electron microscopy. This method allows high-resolution measurements of sieve element and sieve plate geometries. Sieve tube–specific conductivity and its reduction by callose deposition after injury was calculated for green bean (Phaseolus vulgaris), bamboo (Phyllostachys nuda), squash (Cucurbita maxima), castor bean (Ricinus communis), and tomato (Solanum lycopersicum). Phloem sap velocity measurements by magnetic resonance imaging velocimetry indicate that higher conductivity is not accompanied by a higher velocity. Studies on the temporal development of callose show that small sieve plate pores might be occluded by callose within minutes, but plants containing sieve tubes with large pores need additional mechanisms. PMID:20354199

  7. Force-controlled lifting of molecular wires

    NASA Astrophysics Data System (ADS)

    Fournier, N.; Wagner, C.; Weiss, C.; Temirov, R.; Tautz, F. S.

    2011-07-01

    Lifting a single molecular wire off the surface with a combined frequency-modulated atomic force and tunneling microscope it is possible to monitor the evolution of both the wire configuration and the contacts simultaneously with the transport conductance experiment. In particular, critical points where individual bonds to the surface are broken and instabilities where the wire is prone to change its contact configuration can be identified in the force gradient and dissipation responses of the junction. This additional mechanical information can be used to unambiguously determine the conductance of a true molecular wire, that is, of a molecule that is contacted via a pointlike “crocodile clip” to each of the electrodes but is otherwise free.

  8. Controlled release of molecular components of dendrimer/bioactive complexes

    DOEpatents

    Segalman, Daniel J.; Wallace, J. Shield

    1998-01-01

    A method for releasing molecules (guest molecules) from the matrix formed by the structure of another molecule (host molecule) in a controllable manner has been invented. This method has many applications in science and industry. In addition, applications based on such molecular systems may revolutionize significant areas of medicine, in particular the treatment of cancer and of viral infection. Similar effects can also be obtained by controlled fragmentation of a source molecule, where the molecular fragments form the active principle.

  9. Controlled release of molecular components of dendrimer/bioactive complexes

    DOEpatents

    Segalman, D.J.; Wallace, J.S.

    1998-08-18

    A method for releasing molecules (guest molecules) from the matrix formed by the structure of another molecule (host molecule) in a controllable manner has been invented. This method has many applications in science and industry. In addition, applications based on such molecular systems may revolutionize significant areas of medicine, in particular the treatment of cancer and of viral infection. Similar effects can also be obtained by controlled fragmentation of a source molecule, where the molecular fragments form the active principle. 13 figs.

  10. Molecular dynamics computer simulation of permeation in solids

    SciTech Connect

    Pohl, P.I.; Heffelfinger, G.S.; Fisler, D.K.; Ford, D.M.

    1997-12-31

    In this work the authors simulate permeation of gases and cations in solid models using molecular mechanics and a dual control volume grand canonical molecular dynamics technique. The molecular sieving nature of microporous zeolites are discussed and compared with that for amorphous silica made by sol-gel methods. One mesoporous and one microporous membrane model are tested with Lennard-Jones gases corresponding to He, H{sub 2}, Ar and CH{sub 4}. The mesoporous membrane model clearly follows a Knudsen diffusion mechanism, while the microporous model having a hard-sphere cutoff pore diameter of {approximately}3.4 {angstrom} demonstrates molecular sieving of the methane ({sigma} = 3.8 {angstrom}) but anomalous behavior for Ar ({sigma} = 3.4 {angstrom}). Preliminary results of Ca{sup +} diffusion in calcite and He/H{sub 2} diffusion in polyisobutylene are also presented.

  11. Controlling Motion at the Nanoscale: Rise of the Molecular Machines.

    PubMed

    Abendroth, John M; Bushuyev, Oleksandr S; Weiss, Paul S; Barrett, Christopher J

    2015-08-25

    As our understanding and control of intra- and intermolecular interactions evolve, ever more complex molecular systems are synthesized and assembled that are capable of performing work or completing sophisticated tasks at the molecular scale. Commonly referred to as molecular machines, these dynamic systems comprise an astonishingly diverse class of motifs and are designed to respond to a plethora of actuation stimuli. In this Review, we outline the conditions that distinguish simple switches and rotors from machines and draw from a variety of fields to highlight some of the most exciting recent examples of opportunities for driven molecular mechanics. Emphasis is placed on the need for controllable and hierarchical assembly of these molecular components to display measurable effects at the micro-, meso-, and macroscales. As in Nature, this strategy will lead to dramatic amplification of the work performed via the collective action of many machines organized in linear chains, on functionalized surfaces, or in three-dimensional assemblies. PMID:26172380

  12. Controlling Molecular Ordering in Solution-State Conjugated Polymers

    SciTech Connect

    Zhu, Jiahua; Han, Youngkyu; Kumar, Rajeev; Hong, Kunlun; Bonnesen, Peter V.; Sumpter, Bobby G.; Smith, Gregory Scott; Ivanov, Ilia N.; Do, Changwoo

    2015-07-17

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in solution of conjugated polymers holds great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.

  13. Sieving wastewater--cellulose recovery, economic and energy evaluation.

    PubMed

    Ruiken, C J; Breuer, G; Klaversma, E; Santiago, T; van Loosdrecht, M C M

    2013-01-01

    Application of fine-mesh sieves (<0.35 mm) as pretreatment for municipal biological wastewater treatment gives an opportunity to recover resources and increase sustainability of wastewater treatment processes. Sieves are traditionally used for single stage mechanical treatment (typical mesh of 0.35 mm) or in combination with an MBR (typical mesh >0.7 mm). When sieves with a mesh of 0.35 mm are used on raw sewage we observed that cellulose fibres mainly originating from toilet paper are removed efficiently from the influent with a high recovery and purity. The application of sieves as pretreatment for conventional activated sludge processes has been evaluated based on pilot plant research at three WWTPs in the Netherlands. With sieving applied to the dry weather flow only the overall energy usage of the WWTP including sludge treatment can be decreased by at least 40% with a payback time of 7 years. PMID:23121895

  14. Subnanometer Two-Dimensional Graphene Oxide Channels for Ultrafast Gas Sieving.

    PubMed

    Shen, Jie; Liu, Gongping; Huang, Kang; Chu, Zhenyu; Jin, Wanqin; Xu, Nanping

    2016-03-22

    Two-dimensional (2D) materials with atomic thickness and extraordinary physicochemical properties exhibit unique mass transport behaviors, enabling them as emerging nanobuilding blocks for separation membranes. Engineering 2D materials into membrane with subnanometer apertures for precise molecular sieving remains a great challenge. Here, we report rational-designing external forces to precisely manipulate nanoarchitecture of graphene oxide (GO)-assembled 2D channels with interlayer height of ∼0.4 nm for fast transporting and selective sieving gases. The external forces are synergistic to direct the GO nanosheets stacking so as to realize delicate size-tailoring of in-plane slit-like pores and plane-to-plane interlayer-galleries. The 2D channels endow GO membrane with excellent molecular-sieving characteristics that offer 2-3 orders of magnitude higher H2 permeability and 3-fold enhancement in H2/CO2 selectivity compared with commercial membranes. Formation mechanism of 2D channels is proposed on the basis of the driving forces, nanostructures, and transport behaviors. PMID:26866661

  15. Molecular-Weight-Controlled, End-Capped Polybenzimidazoles

    NASA Technical Reports Server (NTRS)

    Connell, John W.; Hergenrother, Paul M.; Smith, Joseph G., Jr.

    1993-01-01

    Novel molecular-weight-controlled end-capped poly(arylene ether benzimidazole)s (PAEBI's) prepared by nucleophilic displacement reaction of di(hydroxyl)benzimidazole monomers with activated aromatic dihalides. Polymers prepared at various molecular weights by upsetting stoichiometry of monomers and end-capped with monohydroxybenzimidazole. Exhibit favorable physical and mechanical properties, improved solubility in polar aprotic solvents and better compression moldability. Potential applications as adhesives, coatings, films, fibers, membranes, moldings, and composite matrix resins.

  16. Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline.

    PubMed

    Jankowska, Joanna; Sadlej, Joanna; Sobolewski, Andrzej L

    2015-06-14

    In this letter, we propose a novel, ultrafast, efficient molecular switch whose switching mechanism involves the electric field-driven intramolecular proton transfer. By means of ab initio quantum chemical calculations and on-the-fly dynamics simulations, we examine the switching performance of an isolated salicylidene aniline molecule and analyze the perspectives of its possible use as an electric field-controlled molecular electronics unit. PMID:25986469

  17. Quantum control of molecular tunneling ionization in the spatiotemporal domain

    SciTech Connect

    Ohmura, Hideki; Saito, Naoaki; Morishita, Toru

    2011-06-15

    We report on a method that can control molecular photoionization in both space and time domains. The directionally asymmetric molecular tunneling ionization induced by intense (5.0 x 10{sup 13} W/cm{sup 2}) phase-controlled two-color laser pulses consisting of fundamental and second-harmonic light achieves the selective ionization of asymmetric molecules in the space domain, and manipulates the birth time and direction of photoelectron emission on an attosecond time scale. This method provides a powerful tool for tracking the quantum dynamics of photoelectrons by using phase-dependent oriented molecules as a phase reference in simultaneous ion-electron detection.

  18. Continuous-Flow Bioseparation Using Microfabricated Anisotropic Nanofluidic Sieving Structures

    PubMed Central

    Fu, Jianping; Mao, Pan; Han, Jongyoon

    2010-01-01

    The anisotropic nanofluidic filter (nanofilter) array (ANA) is a unique molecular sieving structure for separating biomolecules. Here we describe fabrication of planar and vertical ANA chips and how to perform continuous-flow bioseparation using them. This protocol is most useful for bioengineers that are interested in developing automated multistep chip-based bioanalysis systems and assumes prior cleanroom microfabrication knowledge. The ANA consists of a two-dimensional periodic nanofilter array, and the designed structural anisotropy of the ANA causes different sized- or charged-biomolecules to follow distinct trajectories under applied electric fields, leading to efficient continuous-flow separation. Using microfluidic channels surrounding the ANA, the fractionated biomolecule streams are collected and routed to different fluid channels or reservoirs for convenient sample recovery and downstream bioanalysis. The ANA is physically robust and can be reused repeatedly. Compared to conventional gel-based separation techniques, the ANA offers the potential for faster separation, higher throughput, and more convenient sample recovery. PMID:19876028

  19. Magnetic molecularly imprinted polymer for aspirin recognition and controlled release

    NASA Astrophysics Data System (ADS)

    Kan, Xianwen; Geng, Zhirong; Zhao, Yao; Wang, Zhilin; Zhu, Jun-Jie

    2009-04-01

    Core-shell structural magnetic molecularly imprinted polymers (magnetic MIPs) with combined properties of molecular recognition and controlled release were prepared and characterized. Magnetic MIPs were synthesized by the co-polymerization of methacrylic acid (MAA) and trimethylolpropane trimethacrylate (TRIM) around aspirin (ASP) at the surface of double-bond-functionalized Fe3O4 nanoparticles in chloroform. The obtained spherical magnetic MIPs with diameters of about 500 nm had obvious superparamagnetism and could be separated quickly by an external magnetic field. Binding experiments were carried out to evaluate the properties of magnetic MIPs and magnetic non-molecularly imprinted polymers (magnetic NIPs). The results demonstrated that the magnetic MIPs had high adsorption capacity and selectivity to ASP. Moreover, release profiles and release rate of ASP from the ASP-loaded magnetic MIPs indicated that the magnetic MIPs also had potential applications in drug controlled release.

  20. Controlling molecular ordering in solution-state conjugated polymers

    NASA Astrophysics Data System (ADS)

    Zhu, J.; Han, Y.; Kumar, R.; He, Y.; Hong, K.; Bonnesen, P. V.; Sumpter, B. G.; Smith, S. C.; Smith, G. S.; Ivanov, I. N.; Do, C.

    2015-09-01

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in a solution of conjugated polymers hold great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with the desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.Rationally encoding molecular interactions that can control the assembly structure and functional expression in a solution of conjugated polymers hold great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with the desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering

  1. Molecular control and variation in the floral transition.

    PubMed

    Battey, Nicholas H; Tooke, Fiona

    2002-02-01

    The common controls that are involved in both vegetative and floral development are becoming apparent at the molecular level. Intriguing links are also emerging between developmental events during the juvenile/adult and floral transitions. This progress has made it possible to test the annual model of floral transition in a wide range of plant species, including those that flower perennially. PMID:11788310

  2. Temperature-controlled molecular depolarization gates in nuclear magnetic resonance

    SciTech Connect

    Schroder, Leif; Schroder, Leif; Chavez, Lana; Meldrum, Tyler; Smith, Monica; Lowery, Thomas J.; E. Wemmer, David; Pines, Alexander

    2008-02-27

    Down the drain: Cryptophane cages in combination with selective radiofrequency spin labeling can be used as molecular 'transpletor' units for transferring depletion of spin polarization from a hyperpolarized 'source' spin ensemble to a 'drain' ensemble. The flow of nuclei through the gate is adjustable by the ambient temperature, thereby enabling controlled consumption of hyperpolarization.

  3. Separation of branched hexane isomers using zeolite molecular sieves

    SciTech Connect

    Huddersman, K.; Klimczyk, M.

    1996-02-01

    A range of small, medium and large pore zeolite, and their modified forms are studied for their ability to separate di- from monobranched isomers of hexane. The separation studies are carried out using high-temperature (250--350 C) gas chromatography. Beta(H,Ba) is found to be the most effective separator of 2,3-dimethylbutane and 3-methyl-pentane and is therefore studied for its sorption capacities toward the two hexane isomers. This work is directed to the improvement of the quality of petrol by separating hydrocarbon mixtures using zeolites. Since maximum hydrocarbon branching is desirable in petrol (hydrocarbons with a branching structure burn more efficiently and thus have a higher octane rating), catalytic isomerization is used to isomerize straight-chain hydrocarbons to their mono- or dibranched isomers.

  4. Molecular sieve sensors for selective detection at the nanogram level

    DOEpatents

    Bein, Thomas; Brown, Kelly D.; Frye, Gregory C.; Brinker, Charles J.

    1992-01-01

    The invention relates to a selective chemical sensor for selective detection of chemical entities even at the nanogram level. The invention further relates to methods of using the sensor. The sensor comprises: (a) a piezoelectric substrate capable of detecting mass changes resulting from adsorption of material thereon; and (b) a coating applied to the substrate, which selectively sorbs chemical entities of a size smaller than a preselected magnitude.

  5. 21 CFR 173.40 - Molecular sieve resins.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... give a stable three dimensional structure. The resins have a pore size of 2.0 to 3.0 milliliters per gram of dry resin (expressed in terms of water regain), and a particle size of 10 to 300 microns....

  6. Framework redox sites in nanoporous molecular sieve catalyst

    NASA Astrophysics Data System (ADS)

    Nguyen, Khanh Dieu Hong

    The work described in this thesis is concerned with the characterisation of metal ions substituted nanosporous materials. The first chapter deals with the introduction to nanoporous materials, with historical background, structural chemistry, synthetic methods and catalytic applications. The second chapter describes the experiment techniques for synthesis and characterization throughout this work with background of theory, applications, equipment used and useful information achieved from each technique. Chapter 3 deals with the study of cobalt ions substituted microporous aluminophosphate material. Here the main aim is to understand the effect of synthesis condition used in preparing CoAlPO-34, CoSAPO-34 and SAPO-34 materials on the particle size, nano-structure stability and more importantly the oxidation-reduction chemistry of cobalt ions. XRD, SEM, EDX and in situ XRD/EXAFS techniques were used to charactersize the materials in detail. It was found, using microscopy and in situ XRD/EXAFS technique, that when CoAlPO or CoSAPO-34 materials are prepared around pH 7.5, the system has small particles, with good structural stability and complete redox chemistry of cobalt ions. Chapter 4 describes the results obtained from the in situ studies of iron substituted A1PO-5. A1PO-5 samples were synthesized by the hydrothermal reaction of a gel mixture with different templates and different Fe content. These materials were studied using XRD, SEM, EDX and in situ XRD/EXAFS. Here the aim is to investigate the influence of structure directing organic template on the state of iron in the as-synthesised and calcined form. It was found that, depending on the nature of template, the coordination of Fe(III) ions change from octahedral to tetrahedral at different temperature. In situ studies of the reactivity of Ti(IV) species in the titanosilicate TS-1 material was studied using X-ray absorption near edge structure and they are described in the chapter 5. A comparison between the amorphous titanosilicate and crystalline TS-1 was made and it was found that titanium ions in amorphous material reacts much more readily with water molecules compared to crystalline counter part and this correlates with the hydrophobic character of crystalline TS-1 material. In the final chapter, 6, a brief summary and conclusions obtained from the work described in the results chapter as well as future works are given.

  7. Quantum-size effects in the titanosilicate molecular sieve

    NASA Astrophysics Data System (ADS)

    Borello, Enzo; Lamberti, Carlo; Bordiga, Silvia; Zecchina, Adriano; Areán, Carlos Otero

    1997-10-01

    The recently synthesized Engelhard titanosilicate (ETS-10) represents a material which contains in the structure well defined atomic ⋯O-Ti-O-Ti-O⋯ quantum wires embedded in a highly insulating siliceous matrix. We report and discuss the UV-Vis spectrum of this material and compare the experimentally determined optical band gap with the results predicted by simple modeling of a titanium oxide semiconductor wire unidimensionally confined by an infinite potential barrier.

  8. Controlling Molecular Ordering in Solution-State Conjugated Polymers

    DOE PAGESBeta

    Zhu, Jiahua; Han, Youngkyu; Kumar, Rajeev; Hong, Kunlun; Bonnesen, Peter V.; Sumpter, Bobby G.; Smith, Gregory Scott; Ivanov, Ilia N.; Do, Changwoo

    2015-07-17

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in solution of conjugated polymers holds great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution,more » we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.« less

  9. Controlling Molecular Motion, Assembly and Coupling as a Step towards Molecular Actuators

    NASA Astrophysics Data System (ADS)

    Murphy, Colin James

    changes in the supramolecular self-assembly of thioethers. Chapter 9 details how the ordering and length of surface-bound hydrogen-bonded chains of methanol are dictated by the underlying surface and examines an unreported chiral meta-stable methanol hexamer. Single-molecule measurements can answer many of the current questions in the field of molecular machines and lead to control of molecular motion. Development of mechanisms to direct molecular motion and to couple this motion to external systems is crucial for the rational design of new molecular machinery with functionalities such as mass transport, propulsion, separations, sensing, signaling and chemical reactions.

  10. Controlling single-molecule junction conductance by molecular interactions

    PubMed Central

    Kitaguchi, Y.; Habuka, S.; Okuyama, H.; Hatta, S.; Aruga, T.; Frederiksen, T.; Paulsson, M.; Ueba, H.

    2015-01-01

    For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment. PMID:26135251

  11. Controlling single-molecule junction conductance by molecular interactions.

    PubMed

    Kitaguchi, Y; Habuka, S; Okuyama, H; Hatta, S; Aruga, T; Frederiksen, T; Paulsson, M; Ueba, H

    2015-01-01

    For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment. PMID:26135251

  12. Controlling a spillover pathway with the molecular cork effect

    NASA Astrophysics Data System (ADS)

    Marcinkowski, Matthew D.; Jewell, April D.; Stamatakis, Michail; Boucher, Matthew B.; Lewis, Emily A.; Murphy, Colin J.; Kyriakou, Georgios; Sykes, E. Charles H.

    2013-06-01

    Spillover of reactants from one active site to another is important in heterogeneous catalysis and has recently been shown to enhance hydrogen storage in a variety of materials. The spillover of hydrogen is notoriously hard to detect or control. We report herein that the hydrogen spillover pathway on a Pd/Cu alloy can be controlled by reversible adsorption of a spectator molecule. Pd atoms in the Cu surface serve as hydrogen dissociation sites from which H atoms can spillover onto surrounding Cu regions. Selective adsorption of CO at these atomic Pd sites is shown to either prevent the uptake of hydrogen on, or inhibit its desorption from, the surface. In this way, the hydrogen coverage on the whole surface can be controlled by molecular adsorption at a minority site, which we term a ‘molecular cork’ effect. We show that the molecular cork effect is present during a surface catalysed hydrogenation reaction and illustrate how it can be used as a method for controlling uptake and release of hydrogen in a model storage system.

  13. Controlled Rotation and Manipulation of Individual Molecular Motors

    NASA Astrophysics Data System (ADS)

    Kersell, Heath; Perera, U. G. E.; Ample, F.; Zhang, Y.; Vives, G.; Echeverria, J.; Grisolia, M.; Rapenne, G.; Joachim, C.; Hla, S.-W.

    2015-03-01

    The design of artificial molecular machines often takes inspiration from macroscopic machines, but the parallels between the two are frequently only superficial because many molecular machines are governed by quantum processes. Previously, chemically and light driven rotary molecular motors have been developed. For electrically driven motors, tunneling electrons from the tip of a scanning tunneling microscope (STM) have been used to drive rotation in a simple rotor into a single direction and to move a wheeled molecule across a surface. Here, we show that a single standalone molecular motor adsorbed on a gold surface can be made to rotate in a clockwise or counterclockwise direction [1] by selective inelastic electron tunneling through different sub-units of the motor. Our motor is composed of a tripodal stator for vertical positioning, a five-arm rotator for controlled rotations, and a Ru atomic ball bearing connecting the static and rotational parts. The directional rotation originates from saw-tooth-like rotational potentials, which are determined by the internal molecular structure and are independent of the surface adsorption site. This project is supported by the US DOE, BES grant: DE-FG02-02ER46012.

  14. Molecular mechanism of size control in development and human diseases

    PubMed Central

    Yang, Xiaolong; Xu, Tian

    2011-01-01

    How multicellular organisms control their size is a fundamental question that fascinated generations of biologists. In the past 10 years, tremendous progress has been made toward our understanding of the molecular mechanism underlying size control. Original studies from Drosophila showed that in addition to extrinsic nutritional and hormonal cues, intrinsic mechanisms also play important roles in the control of organ size during development. Several novel signaling pathways such as insulin and Hippo-LATS signaling pathways have been identified that control organ size by regulating cell size and/or cell number through modulation of cell growth, cell division, and cell death. Later studies using mammalian cell and mouse models also demonstrated that the signaling pathways identified in flies are also conserved in mammals. Significantly, recent studies showed that dysregulation of size control plays important roles in the development of many human diseases such as cancer, diabetes, and hypertrophy. PMID:21483452

  15. Sieve of Eratosthenes benchmarks for the Z8 FORTH microcontroller

    SciTech Connect

    Edwards, R.

    1989-02-01

    This report presents benchmarks for the Z8 FORTH microcontroller system that ORNL uses extensively in proving concepts and developing prototype test equipment for the Smart House Project. The results are based on the sieve of Eratosthenes algorithm, a calculation used extensively to rate computer systems and programming languages. Three benchmark refinements are presented,each showing how the execution speed of a FORTH program can be improved by use of a particular optimization technique. The last version of the FORTH benchmark shows that optimization is worth the effort: It executes 20 times faster than the Gilbreaths' widely-published FORTH benchmark program. The National Association of Home Builders Smart House Project is a cooperative research and development effort being undertaken by American home builders and a number of major corporations serving the home building industry. The major goal of the project is to help the participating organizations incorporate advanced technology in communications,energy distribution, and appliance control products for American homes. This information is provided to help project participants use the Z8 FORTH prototyping microcontroller in developing Smart House concepts and equipment. The discussion is technical in nature and assumes some experience with microcontroller devices and the techniques used to develop software for them. 7 refs., 5 tabs.

  16. Control of liquid crystal molecular orientation using ultrasound vibration

    NASA Astrophysics Data System (ADS)

    Taniguchi, Satoki; Koyama, Daisuke; Shimizu, Yuki; Emoto, Akira; Nakamura, Kentaro; Matsukawa, Mami

    2016-03-01

    We propose a technique to control the orientation of nematic liquid crystals using ultrasound and investigate the optical characteristics of the oriented samples. An ultrasonic liquid crystal cell with a thickness of 5-25 μm and two ultrasonic lead zirconate titanate transducers was fabricated. By exciting the ultrasonic transducers, the flexural vibration modes were generated on the cell. An acoustic radiation force to the liquid crystal layer was generated, changing the molecular orientation and thus the light transmission. By modulating the ultrasonic driving frequency and voltage, the spatial distribution of the molecular orientation of the liquid crystals could be controlled. The distribution of the transmitted light intensity depends on the thickness of the liquid crystal layer because the acoustic field in the liquid crystal layer is changed by the orientational film.

  17. Molecular and neural control of sexually dimorphic social behaviors.

    PubMed

    Yang, Taehong; Shah, Nirao M

    2016-06-01

    Sexually reproducing animals exhibit sex differences in behavior. Sexual dimorphisms in mating, aggression, and parental care directly contribute to reproductive success of the individual and survival of progeny. In this review, we discuss recent advances in our understanding of the molecular and neural network mechanisms underlying these behaviors in mice. Notable advances include novel insights into the sensory control of social interactions and the identification of molecularly-specified neuronal populations in the brain that control mating, aggression, and parental behaviors. In the case of the latter, these advances mark a watershed because scientists can now focus on discrete neural pathways in an effort to understand how the brain encodes these fundamental social behaviors. PMID:27162162

  18. Characterization of Nanostructured Silicon Membranes for Control of Molecular Transport

    NASA Astrophysics Data System (ADS)

    Srijanto, Bernadeta; Retterer, Scott; Fowlkes, Jason; Doktycz, Mitchel

    2011-03-01

    Fabrication of nanoporous membranes for selective transport of molecular species requires precise engineering at the nanoscale. The membrane permeability can be tuned by controlling the physical structure and the surface chemistry of the pores. We use a combination of electron-beam and optical lithography, along with cryogenic deep reactive ion etching, to fabricate silicon membranes that are physically robust and have uniform pore sizes. Pore sizes are further reduced using plasma enhanced chemical vapor deposition and atomic layer deposition of silicon dioxide onto the membrane surfaces. Integrating nanoporous membranes within a microfluidic network provides a platform for tailoring molecular exchange between microchannels, independent of hydrodynamic effects. In enzymatic reactions, for example, tuning the pores size will allow smaller enzymatic substrates to traverse the membrane at controlled rates while larger enzymes remain spatially separated. Our results from membrane cross-sectioning using focused ion beam milling show that pore sizes can be controlled at dimensions below 10nm. Functional characterization was performed by quantitative fluorescence microscopy to observe the selective transport of molecular species of different sizes.

  19. Mesh Algorithms for PDE with Sieve I: Mesh Distribution

    DOE PAGESBeta

    Knepley, Matthew G.; Karpeev, Dmitry A.

    2009-01-01

    We have developed a new programming framework, called Sieve, to support parallel numerical partial differential equation(s) (PDE) algorithms operating over distributed meshes. We have also developed a reference implementation of Sieve in C++ as a library of generic algorithms operating on distributed containers conforming to the Sieve interface. Sieve makes instances of the incidence relation, or arrows, the conceptual first-class objects represented in the containers. Further, generic algorithms acting on this arrow container are systematically used to provide natural geometric operations on the topology and also, through duality, on the data. Finally, coverings and duality are used to encode notmore » only individual meshes, but all types of hierarchies underlying PDE data structures, including multigrid and mesh partitions. In order to demonstrate the usefulness of the framework, we show how the mesh partition data can be represented and manipulated using the same fundamental mechanisms used to represent meshes. We present the complete description of an algorithm to encode a mesh partition and then distribute a mesh, which is independent of the mesh dimension, element shape, or embedding. Moreover, data associated with the mesh can be similarly distributed with exactly the same algorithm. The use of a high level of abstraction within the Sieve leads to several benefits in terms of code reuse, simplicity, and extensibility. We discuss these benefits and compare our approach to other existing mesh libraries.« less

  20. Control of rotor motion in a light-driven molecular motor: towards a molecular gearbox.

    PubMed

    Ter Wiel, Matthijs K J; van Delden, Richard A; Meetsma, Auke; Feringa, Ben L

    2005-11-21

    Controlled intramolecular movement and coupling of motor and rotor functions is exerted by this new molecular device. The rate of rotation of the rotor part of the molecule can be adjusted by alteration of the conformation of the motor part of the molecule. For all states of the motor part, different rates of rotation were measured for the rotor part. Conversion between the four propeller orientations was achieved by irradiation and heating. PMID:16267585

  1. Controlling Molecular Growth between Fractals and Crystals on Surfaces.

    PubMed

    Zhang, Xue; Li, Na; Gu, Gao-Chen; Wang, Hao; Nieckarz, Damian; Szabelski, Paweł; He, Yang; Wang, Yu; Xie, Chao; Shen, Zi-Yong; Lü, Jing-Tao; Tang, Hao; Peng, Lian-Mao; Hou, Shi-Min; Wu, Kai; Wang, Yong-Feng

    2015-12-22

    Recent studies demonstrate that simple functional molecules, which usually form two-dimensional (2D) crystal structures when adsorbed on solid substrates, are also able to self-assemble into ordered openwork fractal aggregates. To direct and control the growth of such fractal supramolecules, it is necessary to explore the conditions under which both fractal and crystalline patterns develop and coexist. In this contribution, we study the coexistence of Sierpiński triangle (ST) fractals and 2D molecular crystals that were formed by 4,4″-dihydroxy-1,1':3',1″-terphenyl molecules on Au(111) in ultrahigh vacuum. Growth competition between the STs and 2D crystals was realized by tuning substrate and molecular surface coverage and changing the functional groups of the molecular building block. Density functional theory calculations and Monte Carlo simulations are used to characterize the process. Both experimental and theoretical results demonstrate the possibility of steering the surface self-assembly to generate fractal and nonfractal structures made up of the same molecular building block. PMID:26502984

  2. MYC Cofactors: Molecular Switches Controlling Diverse Biological Outcomes

    PubMed Central

    Hann, Stephen R.

    2014-01-01

    The transcription factor MYC has fundamental roles in proliferation, apoptosis, tumorigenesis, and stem cell pluripotency. Over the last 30 years extensive information has been gathered on the numerous cofactors that interact with MYC and the target genes that are regulated by MYC as a means of understanding the molecular mechanisms controlling its diverse roles. Despite significant advances and perhaps because the amount of information learned about MYC is overwhelming, there has been little consensus on the molecular functions of MYC that mediate its critical biological roles. In this perspective, the major MYC cofactors that regulate the various transcriptional activities of MYC, including canonical and noncanonical transactivation and transcriptional repression, will be reviewed and a model of how these transcriptional mechanisms control MYC-mediated proliferation, apoptosis, and tumorigenesis will be presented. The basis of the model is that a variety of cofactors form dynamic MYC transcriptional complexes that can switch the molecular and biological functions of MYC to yield a diverse range of outcomes in a cell-type- and context-dependent fashion. PMID:24939054

  3. An autonomous molecular computer for logical control of gene expression

    NASA Astrophysics Data System (ADS)

    Benenson, Yaakov; Gil, Binyamin; Ben-Dor, Uri; Adar, Rivka; Shapiro, Ehud

    2004-05-01

    Early biomolecular computer research focused on laboratory-scale, human-operated computers for complex computational problems. Recently, simple molecular-scale autonomous programmable computers were demonstrated allowing both input and output information to be in molecular form. Such computers, using biological molecules as input data and biologically active molecules as outputs, could produce a system for `logical' control of biological processes. Here we describe an autonomous biomolecular computer that, at least in vitro, logically analyses the levels of messenger RNA species, and in response produces a molecule capable of affecting levels of gene expression. The computer operates at a concentration of close to a trillion computers per microlitre and consists of three programmable modules: a computation module, that is, a stochastic molecular automaton; an input module, by which specific mRNA levels or point mutations regulate software molecule concentrations, and hence automaton transition probabilities; and an output module, capable of controlled release of a short single-stranded DNA molecule. This approach might be applied in vivo to biochemical sensing, genetic engineering and even medical diagnosis and treatment. As a proof of principle we programmed the computer to identify and analyse mRNA of disease-related genes associated with models of small-cell lung cancer and prostate cancer, and to produce a single-stranded DNA molecule modelled after an anticancer drug.

  4. Attosecond vacuum UV coherent control of molecular dynamics

    PubMed Central

    Ranitovic, Predrag; Hogle, Craig W.; Rivière, Paula; Palacios, Alicia; Tong, Xiao-Ming; Toshima, Nobuyuki; González-Castrillo, Alberto; Martin, Leigh; Martín, Fernando; Murnane, Margaret M.; Kapteyn, Henry

    2014-01-01

    High harmonic light sources make it possible to access attosecond timescales, thus opening up the prospect of manipulating electronic wave packets for steering molecular dynamics. However, two decades after the birth of attosecond physics, the concept of attosecond chemistry has not yet been realized; this is because excitation and manipulation of molecular orbitals requires precisely controlled attosecond waveforms in the deep UV, which have not yet been synthesized. Here, we present a unique approach using attosecond vacuum UV pulse-trains to coherently excite and control the outcome of a simple chemical reaction in a deuterium molecule in a non-Born–Oppenheimer regime. By controlling the interfering pathways of electron wave packets in the excited neutral and singly ionized molecule, we unambiguously show that we can switch the excited electronic state on attosecond timescales, coherently guide the nuclear wave packets to dictate the way a neutral molecule vibrates, and steer and manipulate the ionization and dissociation channels. Furthermore, through advanced theory, we succeed in rigorously modeling multiscale electron and nuclear quantum control in a molecule. The observed richness and complexity of the dynamics, even in this very simplest of molecules, is both remarkable and daunting, and presents intriguing new possibilities for bridging the gap between attosecond physics and attochemistry. PMID:24395768

  5. Optical control of molecular dynamics: Molecular cannons, reflectrons, and wave-packet focusers

    NASA Astrophysics Data System (ADS)

    Krause, Jeffrey L.; Whitnell, Robert M.; Wilson, Kent R.; Yan, YiJing; Mukamel, Shaul

    1993-11-01

    We consider the control of molecular dynamics using tailored light fields, based on a phase space theory of control [Y. J. Yan et al., J. Phys. Chem. 97, 2320 (1993)]. This theory enables us to calculate, in the weak field (one-photon) limit, the globally optimal light field that produces the best overlap for a given phase space target. We present as an illustrative example the use of quantum control to overcome the natural tendency of quantum wave packets to delocalize on excited state potential energy curves. Three cases are studied: (i) a ``molecular cannon'' in which we focus an outgoing continuum wave packet of I2 in both position and momentum, (ii) a ``reflectron'' in which we focus an incoming bound wave packet of I2, and (iii) the focusing of a bound wave packet of Na2 at a turning point on the excited state potential using multiple light pulses to create a localized wave packet with zero momentum. For each case, we compute the globally optimal light field and also how well the wave packet produced by this light field achieves the desired target. These globally optimal fields are quite simple and robust. While our theory provides the globally optimal light field in the linear, weak field regime, experiment can in reality only provide a restricted universe of possible light fields. We therefore also consider the control of molecular quantum dynamics using light fields restricted to a parametrized functional form which spans a set of fields that can be experimentally realized. We fit the globally optimal electric field with a functional form consisting of a superposition of subpulses with variable parameters of amplitude, center time, center frequency, temporal width, relative phase, and linear and quadratic chirp. The best fit light fields produce excellent quantum control and are within the range of experimental possibility. We discuss relevant experiments such as ultrafast spectroscopy and ultrafast electron and x-ray diffraction which can in principle

  6. Molecular control of the oocyte to embryo transition.

    PubMed Central

    Knowles, Barbara B; Evsikov, Alexei V; de Vries, Wilhelmine N; Peaston, Anne E; Solter, Davor

    2003-01-01

    The elucidation of the molecular control of the initiation of mammalian embryogenesis is possible now that the transcriptomes of the full-grown oocyte and two-cell stage embryo have been prepared and analysed. Functional annotation of the transcriptomes using gene ontology vocabularies, allows comparison of the oocyte and two-cell stage embryo between themselves, and with all known mouse genes in the Mouse Genome Database. Using this methodology one can outline the general distinguishing features of the oocyte and the two-cell stage embryo. This, when combined with oocyte-specific targeted deletion of genes, allows us to dissect the molecular networks at play as the differentiated oocyte and sperm transit into blastomeres with unlimited developmental potential. PMID:14511485

  7. Nonresonant Multiple-Pulse Control of Molecular Motions in Liquid

    NASA Astrophysics Data System (ADS)

    Nikiforov, V. G.

    2015-09-01

    We propose the implementation of the multiple-pulse excitation for manipulation of the molecular contributions to the optically-heterodyne-detected optical-Kerr-effect. The key parameters controlling the specificity of the multiple-pulse excitation scenarios are the pulses durations, the delays between pulses, the relation between the pump pulses amplitudes and the pulses polarizations. We model the high-order optical responses and consider some principles of the scenarios construction. We show that it is possible to adjust the excitation scenario in such a way that the some responses can be removed from detected signal along with the enhancement of the interested response amplitude. The theoretical analysis and first experimental data reveal that the multiple-pulse excitation technique can be useful for the selective spectroscopy of the molecular vibrations and rotations in liquid.

  8. Nanoscale Bio-Molecular Control Using EC-OWLS

    SciTech Connect

    Bearinger, J P; Voros, J; Hubbell, J A; Textor, M

    2002-11-20

    A recently developed technique termed ''Electrochemical Optical Waveguide Lightmode Spectroscopy'' (EC-OWLS) [1] combines evanescent-field optical sensing with electrochemical control of surface adsorption processes. Initial EC-OWLS investigations efficiently monitored molecular surface adsorption and layer thickness changes of an adsorbed polymer layer examined in situ as a function of potential applied to a waveguide1. A layer of indium tin oxide (ITO) served as both a high refractive index waveguide for optical sensing, and a conductive electrode; an electrochemical flow-through fluid cell incorporated working, reference and counter electrodes. Poly(L-lysine)-grafted-poly(ethylene glycol) (PLL-g-PEG) served as a model, polycation adsorbate. Results indicate that adsorption and desorption of PLL-g-PEG from aqueous buffer are a function of applied potential, and that binding events subsequent to PLL-g-PEG functionalization are dependent on reorganization in the molecular adlayer.

  9. New insight into the molecular control of bacterial functional amyloids

    PubMed Central

    Taylor, Jonathan D.; Matthews, Steve J.

    2015-01-01

    Amyloid protein structure has been discovered in a variety of functional or pathogenic contexts. What distinguishes the former from the latter is that functional amyloid systems possess dedicated molecular control systems that determine the timing, location, and structure of the fibers. Failure to guide this process can result in cytotoxicity, as observed in several pathologies like Alzheimer's and Parkinson's Disease. Many gram-negative bacteria produce an extracellular amyloid fiber known as curli via a multi-component secretion system. During this process, aggregation-prone, semi-folded curli subunits have to cross the periplasm and outer-membrane and self-assemble into surface-attached fibers. Two recent breakthroughs have provided molecular details regarding periplasmic chaperoning and subunit secretion. This review offers a combined perspective on these first mechanistic insights into the curli system. PMID:25905048

  10. Application of statistical process control to qualitative molecular diagnostic assays.

    PubMed

    O'Brien, Cathal P; Finn, Stephen P

    2014-01-01

    Modern pathology laboratories and in particular high throughput laboratories such as clinical chemistry have developed a reliable system for statistical process control (SPC). Such a system is absent from the majority of molecular laboratories and where present is confined to quantitative assays. As the inability to apply SPC to an assay is an obvious disadvantage this study aimed to solve this problem by using a frequency estimate coupled with a confidence interval calculation to detect deviations from an expected mutation frequency. The results of this study demonstrate the strengths and weaknesses of this approach and highlight minimum sample number requirements. Notably, assays with low mutation frequencies and detection of small deviations from an expected value require greater sample numbers to mitigate a protracted time to detection. Modeled laboratory data was also used to highlight how this approach might be applied in a routine molecular laboratory. This article is the first to describe the application of SPC to qualitative laboratory data. PMID:25988159

  11. Nanostructured silicon membranes for control of molecular transport.

    PubMed

    Srijanto, Bernadeta R; Retterer, Scott T; Fowlkes, Jason D; Doktycz, Mitchel J

    2010-11-01

    A membrane that allows selective transport of molecular species requires precise engineering on the nanoscale. Membrane permeability can be tuned by controlling the physical structure and surface chemistry of the pores. Here, a combination of electron beam and optical lithography, along with cryogenic deep reactive ion etching, has been used to fabricate silicon membranes that are physically robust, have uniform pore sizes, and are directly integrated into a microfluidic network. Additional reductions in pore size were achieved using plasma enhanced chemical vapor deposition and atomic layer deposition of silicon dioxide to coat membrane surfaces. Cross sectioning of the membranes using focused ion beam milling was used to determine the physical shape of the membrane pores before and after coating. Functional characterization of the membranes was performed by using quantitative fluorescence microscopy to document the transport of molecular species across the membrane. PMID:24932436

  12. Molecular separation method and apparatus

    DOEpatents

    Villa-Aleman, E.

    1996-04-09

    A method and apparatus are disclosed for separating a gaseous mixture of chemically identical but physically different molecules based on their polarities. The gaseous mixture of molecules is introduced in discrete quantities into the proximal end of a porous glass molecular sieve. The molecular sieve is exposed to microwaves to excite the molecules to a higher energy state from a lower energy state, those having a higher dipole moment being excited more than those with a lower energy state. The temperature of the sieve kept cold by a flow of liquid nitrogen through a cooling jacket so that the heat generated by the molecules colliding with the material is transferred away from the material. The molecules thus alternate between a higher energy state and a lower one, with the portion of molecules having the higher dipole moment favored over the others. The former portion can then be extracted separately from the distal end of the molecular sieve. 2 figs.

  13. Quantum control of molecular fragmentation in strong laser fields

    NASA Astrophysics Data System (ADS)

    Zohrabi, Mohammad

    Present advances in laser technology allow the production of ultrashort (<˜5 fs, approaching single cycle at 800 nm), intense tabletop laser pulses. At these high intensities laser-matter interactions cannot be described with perturbation theory since multiphoton processes are involved. This is in contrast to photodissociation by the absorption of a single photon, which is well described by perturbation theory. For example, at high intensities (<˜5x1013 W/cm2) the fragmentation of molecular hydrogen ions has been observed via the absorption of three or more photons. In another example, an intriguing dissociation mechanism has been observed where molecular hydrogen ions seem to fragment by apparently absorbing no photons. This is actually a two photon process, photoabsorption followed by stimulated emission, resulting in low energy fragments. We are interested in exploring these kinds of multiphoton processes. Our research group has studied the dynamics and control of fragmentation induced by strong laser fields in a variety of molecular targets. The main goal is to provide a basic understanding of fragmentation mechanisms and possible control schemes of benchmark systems such as H2+. This knowledge is further extended to more complex systems like the benchmark H3+ polyatomic and other molecules. In this dissertation, we report research based on two types of experiments. In the first part, we describe laser-induced fragmentation of molecular ion-beam targets. In the latter part, we discuss the formation of highly-excited neutral fragments from hydrogen molecules using ultrashort laser pulses. In carrying out these experiments, we have also extended experimental techniques beyond their previous capabilities. We have performed a few experiments to advance our understanding of laser-induced fragmentation of molecular-ion beams. For instance, we explored vibrationally resolved spectra of O2+ dissociation using various wavelengths. We observed a vibrational suppression

  14. Numerical optimization of laser fields to control molecular orientation

    SciTech Connect

    Ben Haj-Yedder, A.; Auger, A.; Dion, C.M.; Cances, E.; Le Bris, C.; Keller, A.; Atabek, O.

    2002-12-01

    A thorough numerical illustration of an optimal control scenario dealing with the laser-induced orientation of a diatomic molecule (LiF) is presented. Special emphasis is laid on the definition of the various targets dealing with different orientation characteristics, identified in terms of maximum efficiency (i.e., molecular axis direction closest to the direction of the laser polarization vector), maximum duration (i.e., the time interval during which this orientation is maintained), or of a compromise between efficiency and duration. Excellent postpulse orientation is achieved by sudden, intense pulses. Thermal effects are also studied with an extension of the control scenarios to Boltzmann averaged orientation dynamics at T=5 K.

  15. Optogenetic Control of Molecular Motors and Organelle Distributions in Cells

    PubMed Central

    Duan, Liting; Che, Daphne; Zhang, Kai; Ong, Qunxiang; Guo, Shunling; Cui, Bianxiao

    2015-01-01

    SUMMARY Intracellular transport and distribution of organelles play important roles in diverse cellular functions, including cell polarization, intracellular signaling, cell survival and apoptosis. Here we report an optogenetic strategy to control the transport and distribution of organelles by light. This is achieved by optically recruiting molecular motors onto organelles through the heterodimerization of Arabidopsis thaliana cryptochrome 2 (CRY2) and its interacting partner CIB1. CRY2 and CIB1 dimerize within subseconds upon blue light exposure, which requires no exogenous ligands and low intensity of light. We demonstrate that mitochondria, peroxisomes, and lysosomes can be driven towards the cell periphery upon light-induced recruitment of kinesin, or towards the cell nucleus upon recruitment of dynein. Light-induced motor recruitment and organelle movements are repeatable, reversible and can be achieved at subcellular regions. This light-controlled organelle redistribution provides a new strategy for studying the causal roles of organelle transport and distribution in cellular functions in living cells. PMID:25963241

  16. Ultra-broadband achromatic imaging with diffractive photon sieves

    PubMed Central

    Zhao, Xiaonan; Hu, Jingpei; Lin, Yu; Xu, Feng; Zhu, Xiaojun; Pu, Donglin; Chen, Linsen; Wang, Chinhua

    2016-01-01

    Diffractive optical elements suffer from large chromatic aberration due to the strong wavelength-dependent nature in diffraction phenomena, and therefore, diffractive elements can work only at a single designed wavelength, which significantly limits the applications of diffractive elements in imaging. Here, we report on a demonstration of a wavefront coded broadband achromatic imaging with diffractive photon sieves. The broadband diffraction imaging is implemented with a wavefront coded pinhole pattern that generates equal focusing power for a wide range of operating wavelength in a single thin-film element without complicated auxiliary optical system. Experimental validation was performed using an UV-lithography fabricated wavefront coded photon sieves. Results show that the working bandwidth of the wavefront coded photon sieves reaches 28 nm compared with 0.32 nm of the conventional one. Further demonstration of the achromatic imaging with a bandwidth of 300 nm is also performed with a wavefront coded photon sieves integrated with a refractive element. PMID:27328713

  17. Ultra-broadband achromatic imaging with diffractive photon sieves.

    PubMed

    Zhao, Xiaonan; Hu, Jingpei; Lin, Yu; Xu, Feng; Zhu, Xiaojun; Pu, Donglin; Chen, Linsen; Wang, Chinhua

    2016-01-01

    Diffractive optical elements suffer from large chromatic aberration due to the strong wavelength-dependent nature in diffraction phenomena, and therefore, diffractive elements can work only at a single designed wavelength, which significantly limits the applications of diffractive elements in imaging. Here, we report on a demonstration of a wavefront coded broadband achromatic imaging with diffractive photon sieves. The broadband diffraction imaging is implemented with a wavefront coded pinhole pattern that generates equal focusing power for a wide range of operating wavelength in a single thin-film element without complicated auxiliary optical system. Experimental validation was performed using an UV-lithography fabricated wavefront coded photon sieves. Results show that the working bandwidth of the wavefront coded photon sieves reaches 28 nm compared with 0.32 nm of the conventional one. Further demonstration of the achromatic imaging with a bandwidth of 300 nm is also performed with a wavefront coded photon sieves integrated with a refractive element. PMID:27328713

  18. Redox Control of Leukemia: From Molecular Mechanisms to Therapeutic Opportunities

    PubMed Central

    Irwin, Mary E.; Rivera-Del Valle, Nilsa

    2013-01-01

    Abstract Reactive oxygen species (ROS) play both positive and negative roles in the proliferation and survival of a cell. This dual nature has been exploited by leukemia cells to promote growth, survival, and genomic instability—some of the hallmarks of the cancer phenotype. In addition to altered ROS levels, many antioxidants are dysregulated in leukemia cells. Together, the production of ROS and the expression and activity of antioxidant enzymes make up the primary redox control of leukemia cells. By manipulating this system, leukemia cells gain proliferative and survival advantages, even in the face of therapeutic insults. Standard treatment options have improved leukemia patient survival rates in recent years, although relapse and the development of resistance are persistent challenges. Therapies targeting the redox environment show promise for these cases. This review highlights the molecular mechanisms that control the redox milieu of leukemia cells. In particular, ROS production by the mitochondrial electron transport chain, NADPH oxidase, xanthine oxidoreductase, and cytochrome P450 will be addressed. Expression and activation of antioxidant enzymes such as superoxide dismutase, catalase, heme oxygenase, glutathione, thioredoxin, and peroxiredoxin are perturbed in leukemia cells, and the functional consequences of these molecular alterations will be described. Lastly, we delve into how these pathways can be potentially exploited therapeutically to improve treatment regimens and promote better outcomes for leukemia patients. Antioxid. Redox Signal. 18, 1349–1383. PMID:22900756

  19. Molecular Aspects of Transport in Thin Films of Controlled Architecture

    SciTech Connect

    Paul W. Bohn

    2009-04-16

    Our laboratory focuses on developing spatially localized chemistries which can produce structures of controlled architecture on the supermolecular length scale -- structures which allow us to control the motion of molecular species with high spatial resolution, ultimately on nanometer length scales. Specifically, nanocapillary array membranes (NCAMs) contain an array of nanometer diameter pores connecting vertically separated microfluidic channels. NCAMs can manipulate samples with sub-femtoliter characteristic volumes and attomole sample amounts and are opening the field of chemical analysis of mass-limited samples, because they are capable of digital control of fluid switching down to sub-attoliter volumes; extension of analytical “unit operations” down to sub-femtomole sample sizes; and exerting spatiotemporal control over fluid mixing to enable studies of reaction dynamics. Digital flow switching mediated by nanocapillary array membranes can be controlled by bias, ionic strength, or pore diameter and is being studied by observing the temporal characteristics of transport across a single nanopore in thin PMMA membranes. The control of flow via nanopore surface characteristics, charge density and functional group presentation, is being studied by coupled conductivity and laser-induced fluorescence (LIF) measurements. Reactive mixing experiments previously established low millisecond mixing times for NCAM-mediated fluid transfer, and this has been exploited to demonstrate capture of mass-limited target species by Au colloids. Voltage and thermally-activated polymer switches have been developed for active control of transport in NCAMs. Thermally-switchable and size-selective transport was achieved by grafting poly(N-isopropylacrylamide) brushes onto the exterior surface of a Au-coated polycarbonate track-etched membrane, while the voltage-gated properties of poly(hydroxyethylmethacrylate) were characterized dynamically. Electrophoretic separations have been

  20. Combining Optimal Control Theory and Molecular Dynamics for Protein Folding

    PubMed Central

    Arkun, Yaman; Gur, Mert

    2012-01-01

    A new method to develop low-energy folding routes for proteins is presented. The novel aspect of the proposed approach is the synergistic use of optimal control theory with Molecular Dynamics (MD). In the first step of the method, optimal control theory is employed to compute the force field and the optimal folding trajectory for the atoms of a Coarse-Grained (CG) protein model. The solution of this CG optimization provides an harmonic approximation of the true potential energy surface around the native state. In the next step CG optimization guides the MD simulation by specifying the optimal target positions for the atoms. In turn, MD simulation provides an all-atom conformation whose positions match closely the reference target positions determined by CG optimization. This is accomplished by Targeted Molecular Dynamics (TMD) which uses a bias potential or harmonic restraint in addition to the usual MD potential. Folding is a dynamical process and as such residues make different contacts during the course of folding. Therefore CG optimization has to be reinitialized and repeated over time to accomodate these important changes. At each sampled folding time, the active contacts among the residues are recalculated based on the all-atom conformation obtained from MD. Using the new set of contacts, the CG potential is updated and the CG optimal trajectory for the atoms is recomputed. This is followed by MD. Implementation of this repetitive CG optimization - MD simulation cycle generates the folding trajectory. Simulations on a model protein Villin demonstrate the utility of the method. Since the method is founded on the general tools of optimal control theory and MD without any restrictions, it is widely applicable to other systems. It can be easily implemented with available MD software packages. PMID:22238629

  1. Sieve Element Ca2+ Channels as Relay Stations between Remote Stimuli and Sieve Tube Occlusion in Vicia faba[W

    PubMed Central

    Furch, Alexandra C.U.; van Bel, Aart J.E.; Fricker, Mark D.; Felle, Hubert H.; Fuchs, Maike; Hafke, Jens B.

    2009-01-01

    Damage induces remote occlusion of sieve tubes in Vicia faba by forisome dispersion, triggered during the passage of an electropotential wave (EPW). This study addresses the role of Ca2+ channels and cytosolic Ca2+ elevation as a link between EPWs and forisome dispersion. Ca2+ channel antagonists affect the initial phase of the EPW as well as the prolonged plateau phase. Resting levels of sieve tube Ca2+ of ∼50 nM were independently estimated using Ca2+-selective electrodes and a Ca2+-sensitive dye. Transient changes in cytosolic Ca2+ were observed in phloem tissue in response to remote stimuli and showed profiles similar to those of EPWs. The measured elevation of Ca2+ in sieve tubes was below the threshold necessary for forisome dispersion. Therefore, forisomes need to be associated with Ca2+ release sites. We found an association between forisomes and endoplasmic reticulum (ER) at sieve plates and pore-plasmodesma units where high-affinity binding of a fluorescent Ca2+ channel blocker mapped an increased density of Ca2+ channels. In conclusion, propagation of EPWs in response to remote stimuli is linked to forisome dispersion through transiently high levels of parietal Ca2+, release of which depends on both plasma membrane and ER Ca2+ channels. PMID:19602624

  2. Microfluidic Western Blotting of Low-Molecular-Mass Proteins

    PubMed Central

    2015-01-01

    We describe a microfluidic Western blot assay (μWestern) using a Tris tricine discontinuous buffer system suitable for analyses of a wide molecular mass range (6.5–116 kDa). The Tris tricine μWestern is completed in an enclosed, straight glass microfluidic channel housing a photopatterned polyacrylamide gel that incorporates a photoactive benzophenone methacrylamide monomer. Upon brief ultraviolet (UV) light exposure, the hydrogel toggles from molecular sieving for size-based separation to a covalent immobilization scaffold for in situ antibody probing. Electrophoresis controls all assay stages, affording purely electronic operation with no pumps or valves needed for fluid control. Electrophoretic introduction of antibody into and along the molecular sieving gel requires that the probe must traverse through (i) a discontinuous gel interface central to the transient isotachophoresis used to achieve high-performance separations and (ii) the full axial length of the separation gel. In-channel antibody probing of small molecular mass species is especially challenging, since the gel must effectively sieve small proteins while permitting effective probing with large-molecular-mass antibodies. To create a well-controlled gel interface, we introduce a fabrication method that relies on a hydrostatic pressure mismatch between the buffer and polymer precursor solution to eliminate the interfacial pore-size control issues that arise when a polymerizing polymer abuts a nonpolymerizing polymer solution. Combined with a new swept antibody probe plug delivery scheme, the Tris tricine μWestern blot enables 40% higher separation resolution as compared to a Tris glycine system, destacking of proteins down to 6.5 kDa, and a 100-fold better signal-to-noise ratio (SNR) for small pore gels, expanding the range of applicable biological targets. PMID:25268977

  3. Microfluidic Western blotting of low-molecular-mass proteins.

    PubMed

    Gerver, Rachel E; Herr, Amy E

    2014-11-01

    We describe a microfluidic Western blot assay (μWestern) using a Tris tricine discontinuous buffer system suitable for analyses of a wide molecular mass range (6.5-116 kDa). The Tris tricine μWestern is completed in an enclosed, straight glass microfluidic channel housing a photopatterned polyacrylamide gel that incorporates a photoactive benzophenone methacrylamide monomer. Upon brief ultraviolet (UV) light exposure, the hydrogel toggles from molecular sieving for size-based separation to a covalent immobilization scaffold for in situ antibody probing. Electrophoresis controls all assay stages, affording purely electronic operation with no pumps or valves needed for fluid control. Electrophoretic introduction of antibody into and along the molecular sieving gel requires that the probe must traverse through (i) a discontinuous gel interface central to the transient isotachophoresis used to achieve high-performance separations and (ii) the full axial length of the separation gel. In-channel antibody probing of small molecular mass species is especially challenging, since the gel must effectively sieve small proteins while permitting effective probing with large-molecular-mass antibodies. To create a well-controlled gel interface, we introduce a fabrication method that relies on a hydrostatic pressure mismatch between the buffer and polymer precursor solution to eliminate the interfacial pore-size control issues that arise when a polymerizing polymer abuts a nonpolymerizing polymer solution. Combined with a new swept antibody probe plug delivery scheme, the Tris tricine μWestern blot enables 40% higher separation resolution as compared to a Tris glycine system, destacking of proteins down to 6.5 kDa, and a 100-fold better signal-to-noise ratio (SNR) for small pore gels, expanding the range of applicable biological targets. PMID:25268977

  4. LARC-TPI 1500 series controlled molecular weight polyimide

    NASA Technical Reports Server (NTRS)

    Progar, Donald; St. Clair, Terry; Burks, Harold; Gautreaux, Carol; Yamaguchi, Akihiro

    1990-01-01

    LARC-TPI, a linear high temperature thermoplastic polyimide, was developed several years ago at NASA Langley Research Center. This material has been commercialized by Mitsui Toatsu Chemicals, Inc., Tokyo, Japan, as a varnish and powder. More recently, a melt-extruded film of a controlled molecular weight of this same polymer has been supplied to NASA Langley Research Center for evaluation. This new form, called LARC-TPI 1500 series, has been prepared in three molecular weights - high, medium and low flow polymers. The subject of this investigation deals with the rheological properties of the high and medium flow powders and the adhesive properties of the medium flow melt-extruded film. Rheological studies indicate that the high and medium flow forms of the polymer fall in the flow range of injection moldable materials. Adhesive data generated on the medium flow extruded film shows this form to be well suited for structural adhesive bonding. The data are as good or better than that for LARC-TPI data of previous studies.

  5. Molecular controls on kaolinite surface charge and organic acid adsorption

    SciTech Connect

    Brady, P.V.; Cygan, R.T.; Nagy, K.L.; Ward, D.B.

    1996-10-01

    pH-dependent multi-site kaolinite surface charge can be explained by proton donor-acceptor reactions occurring simultaneously on Si and Al sites exposed on edge sites. Si site acidity at the kaolinite-solution interface differs minimally from that of pure SiO{sub 2}, whereas Al sites became appreciably more acidic when a part of the kaolinite matrix. Independent evidence from scanning force microscopy points to a higher percentage of edge surface area due to thicker particles and basal surface steps than previously assumed. Molecular modeling of the proton-relaxed kaolinite structure has been used to establish the elevated acidity of edge Al sites, to independently confirm the crystallochemical controls on surface acidity, and to establish likely bonding geometries for adsorbed organic acids, such as oxalate.

  6. Quality control by a mobile molecular workshop: Quality versus quantity

    NASA Astrophysics Data System (ADS)

    Sharma, Ajeet K.; Chowdhury, Debashish

    2010-09-01

    Ribosome is a molecular machine that moves on a messenger RNA (mRNA) track while, simultaneously, polymerizing a protein using the mRNA also as the corresponding template. We define, and analytically calculate, two different measures of the efficiency of this machine. However, we argue that its performance is evaluated better in terms of the translational fidelity and the speed with which it polymerizes a protein. We define both these quantities and calculate these analytically. Fidelity is a measure of the quality of the products, while the total quantity of products synthesized in a given interval depends on the speed of polymerization. We show that for synthesizing a large quantity of proteins, it is not necessary to sacrifice the quality. We also explore the effects of the quality control mechanism on the strength of mechanochemical coupling. We suggest experiments for testing some of the ideas presented here.

  7. Molecular control and function of endoreplication in development and physiology.

    PubMed

    De Veylder, Lieven; Larkin, John C; Schnittger, Arp

    2011-11-01

    Endoreplication, also called endoreduplication, is a cell cycle variant of multicellular eukaryotes in which mitosis is skipped and cells repeatedly replicate their DNA, resulting in cellular polyploidy. In recent years, research results have shed light on the molecular mechanism of endoreplication control, but the function of this cell-cycle variant has remained elusive. However, new evidence is at last providing insight into the biological relevance of cellular polyploidy, demonstrating that endoreplication is essential for developmental processes, such as cell fate maintenance, and is a prominent response to physiological conditions, such as pathogen attack or DNA damage. Thus, endoreplication is being revealed as an important module in plant growth that contributes to the robustness of plant life. PMID:21889902

  8. Intense laser-controlled quenching of molecular fragmentation

    SciTech Connect

    Lefebvre, C.; Nguyen-Dang, T. T.; Atabek, O.

    2007-02-15

    We show how efficient control can be exerted on molecular dissociation by adiabatic shaping of an intense, single laser pulse in a very simplified way, involving a few parameters (e.g., peak amplitude, carrier-wave, and modulation phases and frequencies). The strategy takes advantage of an appropriate combination of basic multiphoton mechanisms: bond softening (BS), vibrational trapping (VT), and dynamical dissociation quenching (DDQ). The resulting stabilization enhancement with respect to dissociation may increase up to a factor of 5, while simultaneously inhibiting the BS mechanism and reenforcing the VT mechanism, using DDQ. The photodissociation of H{sub 2}{sup +} submitted to a uv-visible field modulated by an IR periodic envelope, on which the consequences of a DDQ-type mechanism has recently experimentally been checked, is taken as an illustrative example.

  9. High-Resolution Solar Imaging With Photon Sieves

    NASA Astrophysics Data System (ADS)

    Oktem, F. S.; Kamalabadi, F.; Davila, J. M.

    2014-12-01

    A photon sieve is a modification of a Fresnel zone plate in which open zones are replaced by a large number of circular holes. This lightweight optical device offers a superior image forming capability compared with the Fresnel zone plate, and is specially suited to observations at UV and x-ray wavelengths where refractive lenses are not available due to strong absorption of materials, and reflective mirrors are difficult to manufacture to achieve near diffraction-limited resolution. At these shorter wavelengths, photon sieves enable diffraction-limited imaging performance with relaxed manufacturing tolerances, and simple and low-cost fabrication. In this work, we present a new photon sieve imaging modality that, unlike previous designs, takes advantage of chromatic aberration. The fact that different wavelengths are focused at different distances from photon sieve is exploited to develop a novel multi-spectral imaging technique. The idea is to use a photon sieve imaging system with a moving detector which records images at different planes. Each measurement consists of superimposed images of different wavelengths, with each individual image being either in focus or out of focus. For spatially incoherent illumination, we study the problem of recovering the individual images from these superimposed measurements. We first formulate the discrete forward problem using the closed-form Fresnel imaging formulas. The inverse problem is then a multi-frame deconvolution problem involving multiple objects, and is formulated as a maximum posterior estimation problem. The resulting nonlinear optimization problem is solved using a fixed-point iterative algorithm. In contrast to traditional spectral imagers employing a series of wavelength filters, the proposed technique relies on a simple optical system, but incorporates powerful image processing methods to form spectral images computationally. In addition to diffraction-limited high spatial resolution enabled by photon sieves

  10. Understanding and controlling regime switching in molecular diffusion

    NASA Astrophysics Data System (ADS)

    Hallerberg, S.; de Wijn, A. S.

    2014-12-01

    Diffusion can be strongly affected by ballistic flights (long jumps) as well as long-lived sticking trajectories (long sticks). Using statistical inference techniques in the spirit of Granger causality, we investigate the appearance of long jumps and sticks in molecular-dynamics simulations of diffusion in a prototype system, a benzene molecule on a graphite substrate. We find that specific fluctuations in certain, but not all, internal degrees of freedom of the molecule can be linked to either long jumps or sticks. Furthermore, by changing the prevalence of these predictors with an outside influence, the diffusion of the molecule can be controlled. The approach presented in this proof of concept study is very generic and can be applied to larger and more complex molecules. Additionally, the predictor variables can be chosen in a general way so as to be accessible in experiments, making the method feasible for control of diffusion in applications. Our results also demonstrate that data-mining techniques can be used to investigate the phase-space structure of high-dimensional nonlinear dynamical systems.

  11. Understanding and controlling regime switching in molecular diffusion.

    PubMed

    Hallerberg, S; de Wijn, A S

    2014-12-01

    Diffusion can be strongly affected by ballistic flights (long jumps) as well as long-lived sticking trajectories (long sticks). Using statistical inference techniques in the spirit of Granger causality, we investigate the appearance of long jumps and sticks in molecular-dynamics simulations of diffusion in a prototype system, a benzene molecule on a graphite substrate. We find that specific fluctuations in certain, but not all, internal degrees of freedom of the molecule can be linked to either long jumps or sticks. Furthermore, by changing the prevalence of these predictors with an outside influence, the diffusion of the molecule can be controlled. The approach presented in this proof of concept study is very generic and can be applied to larger and more complex molecules. Additionally, the predictor variables can be chosen in a general way so as to be accessible in experiments, making the method feasible for control of diffusion in applications. Our results also demonstrate that data-mining techniques can be used to investigate the phase-space structure of high-dimensional nonlinear dynamical systems. PMID:25615158

  12. Molecular Control of δ-Opioid Receptor Signaling

    PubMed Central

    Fenalti, Gustavo; Giguere, Patrick M.; Katritch, Vsevolod; Huang, Xi-Ping; Thompson, Aaron A.; Cherezov, Vadim; Roth, Bryan L.; Stevens, Raymond C.

    2013-01-01

    Summary Opioids represent widely prescribed and abused medications, although their signal transduction mechanisms are not well understood. Here we present the 1.8Å high-resolution crystal structure of the human δ-opioid receptor (δ-OR), revealing the presence and fundamental role of a sodium ion mediating allosteric control of receptor functional selectivity and constitutive activity. The distinctive δ-OR sodium ion site architecture is centrally located in a polar interaction network in the 7-transmembrane bundle core, with the sodium ion stabilizing a reduced agonist affinity state, and thereby modulating signal transduction. Site-directed mutagenesis and functional studies reveal that changing the allosteric sodium site residue Asn131 to alanine or valine augments constitutive arrestin-ergic signaling. Asp95Ala, Asn310Ala, and Asn314Ala mutations transform classical δ-opioid antagonists like naltrindole into potent β-arrestin-biased agonists. The data establish the molecular basis for allosteric sodium ion control in opioid signaling, revealing that sodium-coordinating residues act as “efficacy-switches” at a prototypic G protein-coupled receptor. PMID:24413399

  13. The feasibility of images reconstructed with the method of sieves

    SciTech Connect

    Veklerov, E.; Llacer, J.

    1989-04-01

    The concept of sieves has been applied with the Maximum likelihood Estimator (MLE) to image reconstruction. While it makes it possible to recover smooth images consistent with the data, the degree of smoothness provided by it is arbitrary. It is shown that the concept of feasibility is able to resolve this arbitrariness. By varying the values of parameters determining the degree of smoothness, one can generate images on both sides of the feasibility region, as well as within the region. Feasible images recovered by using different sieve parameters are compared with feasible results of other procedures. One- and two-dimensional examples using both simulated and real data sets are considered. 12 refs., 3 figs., 2 tabs.

  14. Focusing properties of phase-only generalized Fibonacci photon sieves

    NASA Astrophysics Data System (ADS)

    Ke, Jie; Zhang, Junyong

    2016-06-01

    We propose a new algorithm to extend the standard Fibonacci photon sieve to the phase-only generalized Fibonacci photon sieve (GFiPS) and find that the focusing properties of the phase-only GFiPS are only relevant to the characteristic roots of the recursion relation of the generalized Fibonacci sequences. By switching the transparent and opaque zones on the basis of the generalized Fibonacci sequences, we not only realize adjustable bifocal lengths, but also give their corresponding analytic expressions. Besides, we investigate a special phase-only GFiPS, a spiral-phase GFiPS, which can present twin vortices along the axial coordinate. Compared with the single focusing system, bifocal system can be exploited to enhance the processing speed, and offer a broad range of applications, such as direct laser writing, optical tweezers or atom trapping and paralleled fluorescence microscope.

  15. Involvement of the sieve element cytoskeleton in electrical responses to cold shocks.

    PubMed

    Hafke, Jens B; Ehlers, Katrin; Föller, Jens; Höll, Sabina-Roxana; Becker, Stefanie; van Bel, Aart J E

    2013-06-01

    This study dealt with the visualization of the sieve element (SE) cytoskeleton and its involvement in electrical responses to local cold shocks, exemplifying the role of the cytoskeleton in Ca(2+)-triggered signal cascades in SEs. High-affinity fluorescent phalloidin as well as immunocytochemistry using anti-actin antibodies demonstrated a fully developed parietal actin meshwork in SEs. The involvement of the cytoskeleton in electrical responses and forisome conformation changes as indicators of Ca(2+) influx was investigated by the application of cold shocks in the presence of diverse actin disruptors (latrunculin A and cytochalasin D). Under control conditions, cold shocks elicited a graded initial voltage transient, ΔV1, reduced by external La(3+) in keeping with the involvement of Ca(2+) channels, and a second voltage transient, ΔV2. Cytochalasin D had no effect on ΔV1, while ΔV1 was significantly reduced with 500 nm latrunculin A. Forisome dispersion was triggered by cold shocks of 4°C or greater, which was indicative of an all-or-none behavior. Forisome dispersion was suppressed by incubation with latrunculin A. In conclusion, the cytoskeleton controls cold shock-induced Ca(2+) influx into SEs, leading to forisome dispersion and sieve plate occlusion in fava bean (Vicia faba). PMID:23624858

  16. SUT2, a Putative Sucrose Sensor in Sieve Elements

    PubMed Central

    Barker, Laurence; Kühn, Christina; Weise, Andreas; Schulz, Alexander; Gebhardt, Christiane; Hirner, Brigitte; Hellmann, Hanjo; Schulze, Waltraud; Ward, John M.; Frommer, Wolf B.

    2000-01-01

    In leaves, sucrose uptake kinetics involve high- and low-affinity components. A family of low- and high-affinity sucrose transporters (SUT) was identified. SUT1 serves as a high-affinity transporter essential for phloem loading and long-distance transport in solanaceous species. SUT4 is a low-affinity transporter with an expression pattern overlapping that of SUT1. Both SUT1 and SUT4 localize to enucleate sieve elements of tomato. New sucrose transporter–like proteins, named SUT2, from tomato and Arabidopsis contain extended cytoplasmic domains, thus structurally resembling the yeast sugar sensors SNF3 and RGT2. Features common to these sensors are low codon bias, environment of the start codon, low expression, and lack of detectable transport activity. In contrast to LeSUT1, which is induced during the sink-to-source transition of leaves, SUT2 is more highly expressed in sink than in source leaves and is inducible by sucrose. LeSUT2 protein colocalizes with the low- and high-affinity sucrose transporters in sieve elements of tomato petioles, indicating that multiple SUT mRNAs or proteins travel from companion cells to enucleate sieve elements. The SUT2 gene maps on chromosome V of potato and is linked to a major quantitative trait locus for tuber starch content and yield. Thus, the putative sugar sensor identified colocalizes with two other sucrose transporters, differs from them in kinetic properties, and potentially regulates the relative activity of low- and high-affinity sucrose transport into sieve elements. PMID:10899981

  17. A differential delay equation arising from the sieve of Eratosthenes

    NASA Technical Reports Server (NTRS)

    Cheer, A. Y.; Goldston, D. A.

    1990-01-01

    Consideration is given to the differential delay equation introduced by Buchstab (1937) in connection with an asymptotic formula for the uncanceled terms in the sieve of Eratosthenes. Maier (1985) used this result to show there is unexpected irreqularity in the distribution of primes in short intervals. The function omega(u) is studied in this paper using numerical and analytical techniques. The results are applied to give some numerical constants in Maier's theorem.

  18. Predictability sieve, pointer states, and the classicality of quantum trajectories

    SciTech Connect

    Dalvit, D. A. R.; Zurek, W. H.; Dziarmaga, J.

    2005-12-15

    We study various measures of classicality of the states of open quantum systems subject to decoherence. Classical states are expected to be stable in spite of decoherence, and are thought to leave conspicuous imprints on the environment. Here these expected features of environment-induced superselection are quantified using four different criteria: predictability sieve (which selects states that produce least entropy), purification time (which looks for states that are the easiest to find out from the imprint they leave on the environment), efficiency threshold (which finds states that can be deduced from measurements on a smallest fraction of the environment), and purity loss time (that looks for states for which it takes the longest to lose a set fraction of their initial purity). We show that when pointer states--the most predictable states of an open quantum system selected by the predictability sieve--are well defined, all four criteria agree that they are indeed the most classical states. We illustrate this with two examples: an underdamped harmonic oscillator, for which coherent states are unanimously chosen by all criteria, and a free particle undergoing quantum Brownian motion, for which most criteria select almost identical Gaussian states (although, in this case, the predictability sieve does not select well defined pointer states)

  19. 3D Oxidized Graphene Frameworks for Efficient Nano Sieving.

    PubMed

    Pawar, Pranav Bhagwan; Saxena, Sumit; Badhe, Dhanashree Kamlesh; Chaudhary, Raghvendra Pratap; Shukla, Shobha

    2016-01-01

    The small size of Na(+) and Cl(-) ions provides a bottleneck in desalination and is a challenge in providing alternatives for continuously depleting fresh water resources. Graphene by virtue of its structural properties has the potential to address this issue. Studies have indicated that use of monolayer graphene can be used to filter micro volumes of saline solution. Unfortunately it is extremely difficult, resource intensive and almost impractical with current technology to fabricate operational devices using mono-layered graphene. Nevertheless, graphene based devices still hold the key to solve this problem due to its nano-sieving ability. Here we report synthesis of oxidized graphene frameworks and demonstrate a functional device to desalinate and purify seawater from contaminants including Na(+) and Cl(-) ions, dyes and other microbial pollutants. Micro-channels in these frameworks help in immobilizing larger suspended solids including bacteria, while nano-sieving through graphene enables the removal of dissolved ions (e.g. Cl(-)). Nano-sieving incorporated with larger frameworks has been used in filtering Na(+) and Cl(-) ions in functional devices. PMID:26892277

  20. 3D Oxidized Graphene Frameworks for Efficient Nano Sieving

    PubMed Central

    Pawar, Pranav Bhagwan; Saxena, Sumit; Badhe, Dhanashree Kamlesh; Chaudhary, Raghvendra Pratap; Shukla, Shobha

    2016-01-01

    The small size of Na+ and Cl− ions provides a bottleneck in desalination and is a challenge in providing alternatives for continuously depleting fresh water resources. Graphene by virtue of its structural properties has the potential to address this issue. Studies have indicated that use of monolayer graphene can be used to filter micro volumes of saline solution. Unfortunately it is extremely difficult, resource intensive and almost impractical with current technology to fabricate operational devices using mono-layered graphene. Nevertheless, graphene based devices still hold the key to solve this problem due to its nano-sieving ability. Here we report synthesis of oxidized graphene frameworks and demonstrate a functional device to desalinate and purify seawater from contaminants including Na+ and Cl− ions, dyes and other microbial pollutants. Micro-channels in these frameworks help in immobilizing larger suspended solids including bacteria, while nano-sieving through graphene enables the removal of dissolved ions (e.g. Cl−). Nano-sieving incorporated with larger frameworks has been used in filtering Na+ and Cl− ions in functional devices. PMID:26892277

  1. Water transport control in carbon nanotube arrays

    PubMed Central

    2014-01-01

    Based on a recent scaling law of the water mobility under nanoconfined conditions, we envision novel strategies for precise modulation of water diffusion within membranes made of carbon nanotube arrays (CNAs). In a first approach, the water diffusion coefficient D may be tuned by finely controlling the size distribution of the pore size. In the second approach, D can be varied at will by means of externally induced electrostatic fields. Starting from the latter strategy, switchable molecular sieves are proposed, where membranes are properly designed with sieving and permeation features that can be dynamically activated/deactivated. Areas where a precise control of water transport properties is beneficial range from energy and environmental engineering up to nanomedicine. PMID:25313305

  2. Mathematical inference and control of molecular networks from perturbation experiments

    NASA Astrophysics Data System (ADS)

    Mohammed-Rasheed, Mohammed

    in order to affect the time evolution of molecular activity in a desirable manner. In this proposal, we address both the inference and control problems of GRNs. In the first part of the thesis, we consider the control problem. We assume that we are given a general topology network structure, whose dynamics follow a discrete-time Markov chain model. We subsequently develop a comprehensive framework for optimal perturbation control of the network. The aim of the perturbation is to drive the network away from undesirable steady-states and to force it to converge to a unique desirable steady-state. The proposed framework does not make any assumptions about the topology of the initial network (e.g., ergodicity, weak and strong connectivity), and is thus applicable to general topology networks. We define the optimal perturbation as the minimum-energy perturbation measured in terms of the Frobenius norm between the initial and perturbed networks. We subsequently demonstrate that there exists at most one optimal perturbation that forces the network into the desirable steady-state. In the event where the optimal perturbation does not exist, we construct a family of sub-optimal perturbations that approximate the optimal solution arbitrarily closely. In the second part of the thesis, we address the inference problem of GRNs from time series data. We model the dynamics of the molecules using a system of ordinary differential equations corrupted by additive white noise. For large-scale networks, we formulate the inference problem as a constrained maximum likelihood estimation problem. We derive the molecular interactions that maximize the likelihood function while constraining the network to be sparse. We further propose a procedure to recover weak interactions based on the Bayesian information criterion. For small-size networks, we investigated the inference of a globally stable 7-gene melanoma genetic regulatory network from genetic perturbation experiments. We considered five

  3. Control of wettability of molecularly thin liquid films by nanostructures.

    PubMed

    Fukuzawa, Kenji; Deguchi, Takanori; Yamawaki, Yasuhiro; Itoh, Shintaro; Muramatsu, Takuro; Zhang, Hedong

    2008-03-18

    The patterning of liquid thin films on solid surfaces is very important in various fields of science and engineering related to surfaces and interfaces. A method of nanometer-scale patterning of a molecularly thin liquid film on a silicon substrate using the lyophobicity of the oxide nanostructures has recently been reported (Fukuzawa, K.; Deguchi, T.; Kawamura, J.; Mitsuya, Y.; Muramatsu, T.; Zhang, H. Appl. Phys. Lett. 2005, 87, 203108). However, the origin of the lyophobicity of the nanostructure with a height of around 1 nm, which was fabricated by probe oxidation, has not yet been clarified. In the present study, the change in thickness of the liquid film on mesa-shaped nanostructures and the wettability for the various combinations of the thickness of the liquid films and the height of ridge-shaped nanostructures were investigated. These revealed that lyophobicity is caused by a lowering of the intermolecular interaction between the liquid and silicon surfaces by the nanostructure and enables the patterning of a liquid film along it. The tendency of the wettability for a given liquid film and nanostructure size can be predicted by estimating the contributions of the intermolecular interaction and capillary pressure. In this method, the height of the nanostructure can control the wettability. These results can provide a novel method of nanoscale patterning of liquid thin films, which will be very useful in creating new functional surfaces. PMID:18237215

  4. Direct hydrothermal synthesis of ternary Li-Mn-O oxide ion-sieves.

    PubMed

    Zhang, Qin-Hui; Sun, Shu-Ying; Li, Shao-Peng; Yin, Xian-Sheng; Yu, Jian-Guo

    2009-04-01

    Spinel-type ternary LiMn(2)O(4) oxide precursor was synthesized by direct hydrothermal synthesis of Mn(NO(3))(2), LiOH, and H(2)O(2) at 383 K for 8 h, a better technique for controlling the nanocrystalline structure with well-defined pore size distribution and high surface area than the traditional solid state reaction method. The final low-dimensional MnO(2) nanorod ion-sieve with a lithium ion selective adsorption property was further prepared by an acid treatment process to completely extract lithium ions from the Li-Mn-O lattice. The effects of hydrothermal reaction conditions on the nanostructure, chemical stability, and ion-exchange property of the LiMn(2)O(4) precursor and MnO(2) ion-sieve were systematically examined via powder X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), selected-area electron diffraction (SAED), and lithium ion selective adsorption measurements. The results show that this new kind of low-dimensional MnO(2) nanorod can be used for lithium extraction from aqueous environments, including brine, seawater, and waste water. PMID:19426343

  5. Computational molecular technology towards macroscopic chemical phenomena-molecular control of complex chemical reactions, stereospecificity and aggregate structures

    SciTech Connect

    Nagaoka, Masataka

    2015-12-31

    A new efficient hybrid Monte Carlo (MC)/molecular dynamics (MD) reaction method with a rare event-driving mechanism is introduced as a practical ‘atomistic’ molecular simulation of large-scale chemically reactive systems. Starting its demonstrative application to the racemization reaction of (R)-2-chlorobutane in N,N-dimethylformamide solution, several other applications are shown from the practical viewpoint of molecular controlling of complex chemical reactions, stereochemistry and aggregate structures. Finally, I would like to mention the future applications of the hybrid MC/MD reaction method.

  6. Autonomous grain combine control system

    SciTech Connect

    Hoskinson, Reed L.; Kenney, Kevin L.; Lucas, James R.; Prickel, Marvin A.

    2013-06-25

    A system for controlling a grain combine having a rotor/cylinder, a sieve, a fan, a concave, a feeder, a header, an engine, and a control system. The feeder of the grain combine is engaged and the header is lowered. A separator loss target, engine load target, and a sieve loss target are selected. Grain is harvested with the lowered header passing the grain through the engaged feeder. Separator loss, sieve loss, engine load and ground speed of the grain combine are continuously monitored during the harvesting. If the monitored separator loss exceeds the selected separator loss target, the speed of the rotor/cylinder, the concave setting, the engine load target, or a combination thereof is adjusted. If the monitored sieve loss exceeds the selected sieve loss target, the speed of the fan, the size of the sieve openings, or the engine load target is adjusted.

  7. Applying molecular-based approaches to classical biological control of weeds

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Modern advances in molecular techniques are only recently being incorporated into programs for the classical biological control of weeds. Molecular analyses are able to elucidate information about target weeds that is critical to improving control success, such as taxonomic clarification, evidence o...

  8. Nios II hardware acceleration of the epsilon quadratic sieve algorithm

    NASA Astrophysics Data System (ADS)

    Meyer-Bäse, Uwe; Botella, Guillermo; Castillo, Encarnacion; García, Antonio

    2010-04-01

    The quadratic sieve (QS) algorithm is one of the most powerful algorithms to factor large composite primes used to break RSA cryptographic systems. The hardware structure of the QS algorithm seems to be a good fit for FPGA acceleration. Our new ɛ-QS algorithm further simplifies the hardware architecture making it an even better candidate for C2H acceleration. This paper shows our design results in FPGA resource and performance when implementing very long arithmetic on the Nios microprocessor platform with C2H acceleration for different libraries (GMP, LIP, FLINT, NRMP) and QS architecture choices for factoring 32-2048 bit RSA numbers.

  9. A differential delay equation arising from the sieve of Eratosthenes

    NASA Astrophysics Data System (ADS)

    Cheer, A. Y.; Goldston, D. A.

    1990-07-01

    The differential delay equation defined by ω (u) = 1/u for 1 ≤ u ≤ 2 and (uω (u))' = ω (u - 1) for u ≥ 2 was introduced by Buchstab in connection with an asymptotic formula for the number of uncanceled terms in the sieve of Eratosthenes. Maier has recently used this result to show there is unexpected irregularity in the distribution of primes in short intervals. The function ω (u) is studied in this paper using numerical and analytical techniques. The results are applied to give some numerical constants in Maier's theorem.

  10. Centrifugal Size-Separation Sieve for Granular Materials

    NASA Technical Reports Server (NTRS)

    Walton, Otis (Inventor); Dreyer, Christopher (Inventor); Riedel, Edward (Inventor)

    2015-01-01

    A centrifugal sieve and method utilizes centrifugal force in rapidly-rotated cylindrical or conical screens as the primary body force contributing to size segregation. Within the centrifugal acceleration field, vibration and/or shearing flows are induced to facilitate size segregation and eventual separation of the fines from the coarse material. Inside a rotating cylindrical or conical screen, a separately-rotated screw auger blade can be used to transport material along the rotating cylinder or conical wall and to induce shearing in the material.

  11. Molecular separation method and apparatus

    DOEpatents

    Villa-Aleman, Eliel

    1996-01-01

    A method and apparatus for separating a gaseous mixture of chemically identical but physically different molecules based on their polarities. The gaseous mixture of molecules is introduced in discrete quantities into the proximal end of a porous glass molecular. The molecular sieve is exposed to microwaves to excite the molecules to a higher energy state from a lower energy state, those having a higher dipole moment being excited more than those with a lower energy state. The temperature of the sieve kept cold by a flow of liquid nitrogen through a cooling jacket so that the heat generated by the molecules colliding with the material is transferred away from the material. The molecules thus alternate between a higher energy state and a lower one, with the portion of molecules having the higher dipole moment favored over the others. The former portion can then be extracted separately from the distal end of the molecular sieve.

  12. Designing π-stacked molecular structures to control heat transport through molecular junctions

    SciTech Connect

    Kiršanskas, Gediminas; Li, Qian; Solomon, Gemma C.; Flensberg, Karsten; Leijnse, Martin

    2014-12-08

    We propose and analyze a way of using π stacking to design molecular junctions that either enhance or suppress a phononic heat current, but at the same time remain conductors for an electric current. Such functionality is highly desirable in thermoelectric energy converters, as well as in other electronic components where heat dissipation should be minimized or maximized. We suggest a molecular design consisting of two masses coupled to each other with one mass coupled to each lead. By having a small coupling (spring constant) between the masses, it is possible to either reduce or perhaps more surprisingly enhance the phonon conductance. We investigate a simple model system to identify optimal parameter regimes and then use first principle calculations to extract model parameters for a number of specific molecular realizations, confirming that our proposal can indeed be realized using standard molecular building blocks.

  13. Controlling the sense of molecular rotation: Classical versus quantum analysis

    SciTech Connect

    Khodorkovsky, Yuri; Averbukh, Ilya Sh.; Kitano, Kenta; Hasegawa, Hirokazu; Ohshima, Yasuhiro

    2011-02-15

    Recently, it was predicted theoretically and verified experimentally that a pair of delayed and cross-polarized short laser pulses can create molecular ensembles with a well-defined sense of rotation (clockwise or counterclockwise). Here we provide a comparative study of the classical and quantum aspects of the underlying mechanism for linear molecules and for symmetric tops, like benzene molecules, that were used for the first experimental demonstration of the effect. Very good quantitative agreement is found between the classical description of the process and the rigorous quantum-mechanical analysis at the relevant experimental conditions. Both approaches predict the same optimal values for the delay between pulses and the angle between them, and deliver the same magnitude of the induced oriented angular momentum of the molecular ensemble. As expected, quantum and classical analyses substantially deviate when the delay between pulses is comparable with the period of quantum rotational revivals. However, time-averaged characteristics of the excited molecular ensemble are equally well described by these two approaches. This is illustrated by calculating the anisotropic time-averaged angular distribution of the double-pulse excited molecules, which reflects persistent confinement of the molecular axes to the rotation plane defined by two polarization vectors of the pulses.

  14. Fractionation of distillers dried grains with solubles (DDGS) by sieving and winnowing.

    PubMed

    Liu, KeShun

    2009-12-01

    Four commercial samples of distillers dried grains with solubles (DDGS) were sieved. All sieved fractions except for the pan fraction, constituting about 90% of original mass, were then winnowed with an air blast seed cleaner. Sieving was effective in producing fractions with varying composition. As the particle size decreased, protein and ash contents increased, and total carbohydrate (CHO) decreased. Winnowing sieved fractions was also effective in shifting composition, particularly for larger particle classes. Heavy sub-fractions were enriched in protein, oil and ash, while light sub-fractions were enriched for CHO. For protein, the combination of the two procedures resulted in a maximum 56.4% reduction in a fraction and maximum 60.2% increase in another fraction. As airflow velocity increased, light sub-fraction mass increased, while the compositional difference between the heavy and light sub-fractions decreased. Winnowing three times at a lower velocity was as effective as winnowing one time at a medium velocity. Winnowing the whole DDGS was much less effective than winnowing sieved fractions in changing composition, but sieving winnowed fractions was more effective than sieving whole DDGS. The two combination sequences gave comparable overall effects but sieving followed by winnowing is recommended because it requires less time. Regardless of combinational sequence, the second procedure was more effective in shifting composition than the first procedure. PMID:19692227

  15. Molecular gels-based controlled release devices for pheromones

    Technology Transfer Automated Retrieval System (TEKTRAN)

    2-Heptanone is a volatile solvent that is effective in controlling parasitic mites (Varroa) in honeybee. Controlled-release of 2-heptanone is needed to avoid overdosing, minimize chemical usage, and provide a sustained release over a several week period. Control-release devices comprised of a reserv...

  16. Light-controlled molecular switches based on bistable spirocyclic organic and coordination compounds

    NASA Astrophysics Data System (ADS)

    Minkin, Vladimir I.

    2013-01-01

    Modern concepts of mechanisms of thermal and photochemical rearrangements responsible for the photochromic properties of spiropyrans, spirooxazines, spiroperimidines and metal bis(chelate) complexes have been considered. The most important applications of spiropyrans and spirooxazines as light-controlled molecular switches of physical and biological properties of hybrid molecular and supramolecular structures and macroscopic materials have been discussed. The bibliography includes 185 references.

  17. Selective inner-valence ionization of aligned polyatomic molecules for controlling molecular fragmentation

    NASA Astrophysics Data System (ADS)

    Xie, X.; Doblhoff-Dier, K.; Xu, H.; Roither, S.; Iwasaki, A.; Schöffler, M.; Kartashov, D.; Yamanouchi, K.; Baltuška, A.; Gräfe, S.; Kitzler, M.

    2014-04-01

    We show experimentally and theoretically, using acetylene as an example, that the strong preponderance of ionization from specific molecular orbitals to the alignment of the molecular axis with respect to the laser polarization direction allows implementing a method for controlling fragmentation reactions of polyatomic molecules.

  18. Comparing position and force control for interactive molecular simulators with haptic feedback.

    PubMed

    Bolopion, Aude; Cagneau, Barthélemy; Redon, Stephane; Régnier, Stéphane

    2010-09-01

    This paper presents a novel tool for the analysis of new molecular structures which enables a wide variety of manipulations. It is composed of a molecular simulator and a haptic device. The simulation software deals with systems of hundreds or thousands of degrees of freedom and computes the reconfiguration of the molecules in a few tenths of a second. For the ease of manipulation and to help the operator understand nanoscale phenomena, a haptic device is connected to the simulator. To handle a wide variety of applications, both position and force control are implemented. To our knowledge, this is the first time the applications of force control are detailed for molecular simulation. These two control modes are compared in terms of adequacy with molecular dynamics, transparency and stability sensitivity with respect to environmental conditions. Based on their specificity the operations they can realize are detailed. Experiments highlight the usability of our tool for the different steps of the analysis of molecular structures. It includes the global reconfiguration of a molecular system, the measurement of molecular properties and the comprehension of nanoscale interactions. Compared to most existing systems, the one developed in this paper offers a wide range of possible experiments. The detailed analysis of the properties of the control modes can be easily used to implement haptic feedback on other molecular simulators. PMID:20727801

  19. A rhenium complex doped in a silica molecular sieve for molecular oxygen sensing: Construction and characterization.

    PubMed

    Yang, Xiaozhou; Li, Yanxiao

    2016-01-15

    This paper reported a diamine ligand and its Re(I) complex for potential application in oxygen sensing. The novelty of this diamine ligand localized at its increased conjugation chain which had a typical electron-withdrawing group of 1,3,4-oxadiazole. Electronic distribution of excited electrons and their lifetime were supposed to be increased, favoring oxygen sensing collision. This hypothesis was confirmed by single crystal analysis, theoretical calculation and photophysical measurement. It was found that this Re(I) complex had a long-lived emission peaking at 545 nm, favoring sensing application. By doping this complex into a silica matrix MCM-41, oxygen sensing performance and mechanism of the resulting composites were discussed in detail. Non-linear Stern-Volmer working curves were observed with maximum sensitivity of 5.54 and short response time of ~6 s. PMID:26478986

  20. A rhenium complex doped in a silica molecular sieve for molecular oxygen sensing: Construction and characterization

    NASA Astrophysics Data System (ADS)

    Yang, Xiaozhou; Li, Yanxiao

    2016-01-01

    This paper reported a diamine ligand and its Re(I) complex for potential application in oxygen sensing. The novelty of this diamine ligand localized at its increased conjugation chain which had a typical electron-withdrawing group of 1,3,4-oxadiazole. Electronic distribution of excited electrons and their lifetime were supposed to be increased, favoring oxygen sensing collision. This hypothesis was confirmed by single crystal analysis, theoretical calculation and photophysical measurement. It was found that this Re(I) complex had a long-lived emission peaking at 545 nm, favoring sensing application. By doping this complex into a silica matrix MCM-41, oxygen sensing performance and mechanism of the resulting composites were discussed in detail. Non-linear Stern-Volmer working curves were observed with maximum sensitivity of 5.54 and short response time of ~ 6 s.

  1. Mechanisms of Molecular Response in the Optimal Control of Photoisomerization

    SciTech Connect

    Dietzek, Benjamin; Brueggemann, Ben; Pascher, Torbjoern; Yartsev, Arkady

    2006-12-22

    We report on adaptive feedback control of photoinduced barrierless isomerization of 1,1'-diethyl-2,2'-cyanine in solution. We compare the effect of different fitness parameters and show that optimal control of the absolute yield of isomerization (photoisomer concentration versus excitation photons) can be achieved, while the relative isomerization yield (photoisomer concentration versus number of relaxed excited-state molecules) is unaffected by adaptive feedback control. The temporal structure of the optimized excitation pulses allows one to draw clear mechanistic conclusions showing the critical importance of coherent nuclear motion for the control of isomerization.

  2. A Sieving ANN for Emotion-Based Movie Clip Classification

    NASA Astrophysics Data System (ADS)

    Watanapa, Saowaluk C.; Thipakorn, Bundit; Charoenkitkarn, Nipon

    Effective classification and analysis of semantic contents are very important for the content-based indexing and retrieval of video database. Our research attempts to classify movie clips into three groups of commonly elicited emotions, namely excitement, joy and sadness, based on a set of abstract-level semantic features extracted from the film sequence. In particular, these features consist of six visual and audio measures grounded on the artistic film theories. A unique sieving-structured neural network is proposed to be the classifying model due to its robustness. The performance of the proposed model is tested with 101 movie clips excerpted from 24 award-winning and well-known Hollywood feature films. The experimental result of 97.8% correct classification rate, measured against the collected human-judges, indicates the great potential of using abstract-level semantic features as an engineered tool for the application of video-content retrieval/indexing.

  3. Active porous transition towards spatiotemporal control of molecular flow in a crystal membrane

    NASA Astrophysics Data System (ADS)

    Takasaki, Yuichi; Takamizawa, Satoshi

    2015-11-01

    Fluidic control is an essential technology widely found in processes such as flood control in land irrigation and cell metabolism in biological tissues. In any fluidic control system, valve function is the key mechanism used to actively regulate flow and miniaturization of fluidic regulation with precise workability will be particularly vital in the development of microfluidic control. The concept of crystal engineering is alternative to processing technology in microstructure construction, as the ultimate microfluidic devices must provide molecular level control. Consequently, microporous crystals can instantly be converted to microfluidic devices if introduced in an active transformability of porous structure and geometry. Here we show that the introduction of a stress-induced martensitic transition mechanism converts a microporous molecular crystal into an active fluidic device with spatiotemporal molecular flow controllability through mechanical reorientation of subnanometre channels.

  4. Active porous transition towards spatiotemporal control of molecular flow in a crystal membrane.

    PubMed

    Takasaki, Yuichi; Takamizawa, Satoshi

    2015-01-01

    Fluidic control is an essential technology widely found in processes such as flood control in land irrigation and cell metabolism in biological tissues. In any fluidic control system, valve function is the key mechanism used to actively regulate flow and miniaturization of fluidic regulation with precise workability will be particularly vital in the development of microfluidic control. The concept of crystal engineering is alternative to processing technology in microstructure construction, as the ultimate microfluidic devices must provide molecular level control. Consequently, microporous crystals can instantly be converted to microfluidic devices if introduced in an active transformability of porous structure and geometry. Here we show that the introduction of a stress-induced martensitic transition mechanism converts a microporous molecular crystal into an active fluidic device with spatiotemporal molecular flow controllability through mechanical reorientation of subnanometre channels. PMID:26568441

  5. Active porous transition towards spatiotemporal control of molecular flow in a crystal membrane

    PubMed Central

    Takasaki, Yuichi; Takamizawa, Satoshi

    2015-01-01

    Fluidic control is an essential technology widely found in processes such as flood control in land irrigation and cell metabolism in biological tissues. In any fluidic control system, valve function is the key mechanism used to actively regulate flow and miniaturization of fluidic regulation with precise workability will be particularly vital in the development of microfluidic control. The concept of crystal engineering is alternative to processing technology in microstructure construction, as the ultimate microfluidic devices must provide molecular level control. Consequently, microporous crystals can instantly be converted to microfluidic devices if introduced in an active transformability of porous structure and geometry. Here we show that the introduction of a stress-induced martensitic transition mechanism converts a microporous molecular crystal into an active fluidic device with spatiotemporal molecular flow controllability through mechanical reorientation of subnanometre channels. PMID:26568441

  6. Control over molecular motion using the cis–trans photoisomerization of the azo group

    PubMed Central

    Ribagorda, María

    2012-01-01

    Summary Control over molecular motion represents an important objective in modern chemistry. Aromatic azobenzenes are excellent candidates as molecular switches since they can exist in two forms, namely the cis (Z) and trans (E) isomers, which can interconvert both photochemically and thermally. This transformation induces a molecular movement and a significant geometric change, therefore the azobenzene unit is an excellent candidate to build dynamic molecular devices. We describe selected examples of systems containing an azobenzene moiety and their motions and geometrical changes caused by external stimuli. PMID:23019434

  7. Applying CLIPS to control of molecular beam epitaxy processing

    NASA Technical Reports Server (NTRS)

    Rabeau, Arthur A.; Bensaoula, Abdelhak; Jamison, Keith D.; Horton, Charles; Ignatiev, Alex; Glover, John R.

    1990-01-01

    A key element of U.S. industrial competitiveness in the 1990's will be the exploitation of advanced technologies which involve low-volume, high-profit manufacturing. The demands of such manufacture limit participation to a few major entities in the U.S. and elsewhere, and offset the lower manufacturing costs of other countries which have, for example, captured much of the consumer electronics market. One such technology is thin-film epitaxy, a technology which encompasses several techniques such as Molecular Beam Epitaxy (MBE), Chemical Beam Epitaxy (CBE), and Vapor-Phase Epitaxy (VPE). Molecular Beam Epitaxy (MBE) is a technology for creating a variety of electronic and electro-optical materials. Compared to standard microelectronic production techniques (including gaseous diffusion, ion implantation, and chemical vapor deposition), MBE is much more exact, though much slower. Although newer than the standard technologies, MBE is the technology of choice for fabrication of ultraprecise materials for cutting-edge microelectronic devices and for research into the properties of new materials.

  8. Ordered nanocolumn-array organic semiconductor thin films with controllable molecular orientation

    NASA Astrophysics Data System (ADS)

    Yang, Bingchu; Duan, Haichao; Zhou, Conghua; Gao, Yongli; Yang, Junliang

    2013-12-01

    Ordered nanocolumn-array phthalocynine semiconductor thin films with controllable molecular orientation were fabricated by combining molecular template growth (MTG) and glancing angle deposition (GLAD) techniques. The pre-deposited planar perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) molecular template layer induces phthalocynine molecules arrange with a lying-down molecular orientation, in which the π-π stacking is vertical to the substrate improving the charge transport along the vertical direction; While the GLAD technique supports the formation of nanocolumn-array thin films, supplying a much larger exposed surface area than the conventional compact thin films. The ordered nanocolumn-array thin films with controllable molecular orientation fabricated by combining MTG and GLAD techniques show the potentials to fabricate ordered bulk heterojunction for improving the performance in organic photovoltaics.

  9. Reflection mass spectrometry technique for monitoring and controlling composition during molecular beam epitaxy

    DOEpatents

    Brennan, T.M.; Hammons, B.E.; Tsao, J.Y.

    1992-12-15

    A method for on-line accurate monitoring and precise control of molecular beam epitaxial growth of Groups III-III-V or Groups III-V-V layers in an advanced semiconductor device incorporates reflection mass spectrometry. The reflection mass spectrometry is responsive to intentional perturbations in molecular fluxes incident on a substrate by accurately measuring the molecular fluxes reflected from the substrate. The reflected flux is extremely sensitive to the state of the growing surface and the measurements obtained enable control of newly forming surfaces that are dynamically changing as a result of growth. 3 figs.

  10. Reflection mass spectrometry technique for monitoring and controlling composition during molecular beam epitaxy

    DOEpatents

    Brennan, Thomas M.; Hammons, B. Eugene; Tsao, Jeffrey Y.

    1992-01-01

    A method for on-line accurate monitoring and precise control of molecular beam epitaxial growth of Groups III-III-V or Groups III-V-V layers in an advanced semiconductor device incorporates reflection mass spectrometry. The reflection mass spectrometry is responsive to intentional perturbations in molecular fluxes incident on a substrate by accurately measuring the molecular fluxes reflected from the substrate. The reflected flux is extremely sensitive to the state of the growing surface and the measurements obtained enable control of newly forming surfaces that are dynamically changing as a result of growth.

  11. Fluctuating-bias controlled electron transport in molecular junctions

    NASA Astrophysics Data System (ADS)

    Ridley, Michael; MacKinnon, Angus; Kantorovich, Lev

    2016-05-01

    We consider the problem of transport through a multiterminal molecular junction in the presence of a stochastic bias, which can also be used to describe transport through fluctuating molecular energy levels. To describe these effects, we first make a simple extension of our previous work [Phys. Rev. B 91, 125433 (2015), 10.1103/PhysRevB.91.125433] to show that the problem of tunneling through noisy energy levels can be mapped onto the problem of a noisy driving bias, which appears in the Kadanoff-Baym equations for this system in an analogous manner to the driving term in the Langevin equation for a classical circuit. This formalism uses the nonequilibrium Green's function method to obtain analytically closed formulas for transport quantities within the wide-band limit approximation for an arbitrary time-dependent bias and it is automatically partition free. We obtain exact closed formulas for both the colored and white noise-averaged current at all times. In the long-time limit, these formulas possess a Landauer-Büttiker-type structure which enables the extraction of an effective transmission coefficient for the transport. Expanding the Fermi function into a series of simple poles, we find an exact formal relation between the parameters which characterize the bias fluctuations and the poles of the Fermi function. This enables us to describe the effect of the temperature and the strength of the fluctuations on the averaged current which we interpret as a quantum analog to the classical fluctuation-dissipation theorem. We use these results to convincingly refute some recent results on the multistability of the current through a fluctuating level, simultaneously verifying that our formalism satisfies some well-known theorems on the asymptotic current. Finally, we present numerical results for the current through a molecular chain which demonstrate a transition from nonlinear to linear I -V characteristics as the strength of fluctuations is increased, as well as a

  12. Clast-contact conglomerates in submarine canyons: possible subaqueous sieve deposits

    SciTech Connect

    Fitzgerald, M.S.

    1987-05-01

    Thick, coarse, clast-contact conglomerates in submarine canyon fill have previously been attributed to rock-fall, grain-flow, or winnowing processes. However, these processes do not adequately explain some thick conglomeratic sequences. The proposed process of subaqueous sieve deposition could account for these clast-contact conglomerates. Subaerial sieve deposition has been documented on small-scale fan models and on alluvial fans. A subaerial sieve deposit begins as a debris flow which at some point freezes up. The matrix is then lost by subsequent filtration or outflow, and the emplacement of a clast-contact gravel ensues. A subaqueous sieve deposit would be slightly modified in that the matrix would not be lost by filtration into the submarine canyon floor, but rather by outflow at the terminus of the lobe immediately after deposition, or possibly from the top and/or sides of the freezing flow mass during transport. Besides forming in submarine canyons, subaqueous sieve deposits might also occur in paralic, submarine fan channel, and base-of-the-slope settings. In substantiating the existence of subaqueous sieve deposits, the sedimentary structures and grain-size data from recent sieve deposits on alluvial fans are compared to those of ancient submarine canyon deposits. Numerous similarities are found supporting this new method of deposition. Some discrepancies are encountered, but these are expected due to modifications caused by an aqueous medium.

  13. Elastomeric Conducting Polyaniline Formed Through Topological Control of Molecular Templates.

    PubMed

    Ding, Hangjun; Zhong, Mingjiang; Wu, Haosheng; Park, Sangwoo; Mohin, Jacob W; Klosterman, Luke; Yang, Zhou; Yang, Huai; Matyjaszewski, Krzysztof; Bettinger, Christopher John

    2016-06-28

    A strategy for creating elastomeric conducting polyaniline networks is described. Simultaneous elastomeric mechanical properties (E < 10 MPa) and electronic conductivities (σ > 10 S cm(-1)) are achieved via molecular templating of conjugated polymer networks. Diblock copolymers with star topologies processed into self-assembled elastomeric thin films reduce the percolation threshold of polyaniline synthesized via in situ polymerization. Block copolymer templates with star topologies produce elastomeric conjugated polymer composites with Young's moduli ranging from 4 to 12 MPa, maximum elongations up to 90 ± 10%, and electrical conductivities of 30 ± 10 S cm(-1). Templated polyaniline films exhibit Young's moduli up to 3 orders of magnitude smaller compared to bulk polyaniline films while preserving comparable bulk electronic conductivity. Flexible conducting polymers have prospective applications in devices for energy storage and conversion, consumer electronics, and bioelectronics. PMID:27175931

  14. Confinement-induced Molecular Templating and Controlled Ligation

    NASA Astrophysics Data System (ADS)

    Berard, Daniel; Shayegan, Marjan; Michaud, François; Henkin, Gil; Scott, Shane; Leith, Jason; Leslie, Sabrina; Leslie Lab Team

    Loading and manipulating long DNA molecules within sub-50 nm cross-section nanostructures for genomic and biochemical analyses, while retaining their structural integrity, present key technological challenges to the biotechnology sector, such as device clogging and molecular breakage. We overcome these challenges by using Convex Lens-induced Confinement (CLiC) technology to gently load DNA into nanogrooves from above. Here, we demonstrate single-fluorophore visualization of custom DNA barcodes as well as efficient top-loading of DNA into sub-50 nm nanogrooves of variable topographies. We study confinement-enhanced self-ligation of polymers loaded in circular nanogrooves. Further, we use concentric, circular nanogrooves to eliminate confinement gradient-induced drift of stretched DNA.

  15. Coherent control of quantum dynamics in laser kicked molecular rotors

    NASA Astrophysics Data System (ADS)

    Bitter, Martin; Milner, Valery

    2016-05-01

    We investigate experimentally the dynamics of true quantum kicked rotors - oxygen and nitrogen molecules subject to a sequence of more than 20 ultrashort laser pulses with peak intensities exceeding 1013 W/ cm2 per pulse. Using state-resolved rotational Raman spectroscopy, we show that the centrifugal distortion is the main obstacle in reaching high rotational states, as it results in the coherent oscillations of rotational population similar to Bloch oscillations in condensed matter. We demonstrate that the timing of the individual pulses can be optimized to partially mitigate the centrifugal limit and produce broader rotational wave packets with higher degrees of rotational coherence. Progress towards the experimental observation of Anderson localization in laser-kicked molecular rotors will be discussed.

  16. Design, in vitro and in vivo assessment of a multi-channel sieve electrode with integrated multiplexer

    NASA Astrophysics Data System (ADS)

    Ramachandran, Anup; Schuettler, Martin; Lago, Natalia; Doerge, Thomas; Koch, Klaus Peter; Navarro, Xavier; Hoffmann, Klaus-Peter; Stieglitz, Thomas

    2006-06-01

    This paper reports on the design, in vitro and in vivo investigation of a flexible, lightweight, polyimide based implantable sieve electrode with a hybrid assembly of multiplexers and polymer encapsulation. The integration of multiplexers enables us to connect a large number of electrodes on the sieve using few input connections. The implant assembly of the sieve electrode with the electronic circuitry was verified by impedance measurement. The 27 platinum electrodes of the sieve were coated with platinum black to reduce the electrode impedance. The impedance magnitude of the electrode sites on the sieve (geometric surface area 2200 µm2) was |Zf=1kHz| = 5.7 kΩ. The sieve electrodes, encased in silicone, have been implanted in the transected sciatic nerve of rats. Initial experiments showed that axons regenerated through the holes of the sieve and reinnervated distal target organs. Nerve signals were recorded in preliminary tests after 3-7 months post-implantation.

  17. Chirp and polarization control of femtosecond molecular fragmentation

    PubMed Central

    Goswami, T; Das, D K; Kumar, S K Karthick; Goswami, D

    2013-01-01

    We explore the simultaneous effect of chirp and polarization as the two control parameters for non-resonant photo-dissociation of n-propyl benzene. Experiments performed over a wide range of laser intensities show that these two control knobs behave mutually exclusively. Specifically, for the coherently enhanced fragments (C3H3+, C5H5+) with negatively chirped pulses and C6H5+ with positively chirped pulses, polarization effect is the same as compared to that in the case of transform-limited pulses. Though a change in polarization affects the overall fragmentation efficiency, the fragmentation pattern of n-propyl benzene molecule remains unaffected in contrast to the chirp case. PMID:24115807

  18. Molecular designs for controlling the local environments around metal ions.

    PubMed

    Cook, Sarah A; Borovik, A S

    2015-08-18

    The functions of metal complexes are directly linked to the local environment in which they are housed; modifications to the local environment (or secondary coordination sphere) are known to produce changes in key properties of the metal centers that can affect reactivity. Noncovalent interactions are the most common and influential forces that regulate the properties of secondary coordination spheres, which leads to complexities in structure that are often difficult to achieve in synthetic systems. Using key architectural features from the active sites of metalloproteins as inspiration, we have developed molecular systems that enforce intramolecular hydrogen bonds (H-bonds) around a metal center via incorporation of H-bond donors and acceptors into rigid ligand scaffolds. We have utilized these molecular species to probe mechanistic aspects of biological dioxygen activation and water oxidation. This Account describes the stabilization and characterization of unusual M-oxo and heterobimetallic complexes. These types of species have been implicated in a range of oxidative processes in biology but are often difficult to study because of their inherent reactivity. Our H-bonding ligand systems allowed us to prepare an Fe(III)-oxo species directly from the activation of O2 that was subsequently oxidized to form a monomeric Fe(IV)-oxo species with an S = 2 spin state, similar to those species proposed as key intermediates in non-heme monooxygenases. We also demonstrated that a single Mn(III)-oxo center that was prepared from water could be converted to a high-spin Mn(V)-oxo species via stepwise oxidation, a process that mimics the oxidative charging of the oxygen-evolving complex (OEC) of photosystem II. Current mechanisms for photosynthetic O-O bond formation invoke a Mn(IV)-oxyl species rather than the isoelectronic Mn(V)-oxo system as the key oxidant based on computational studies. However, there is no experimental information to support the existence of a Mn

  19. Molecular mechanisms controlling proton pumping by bacteriorhodopsin. Final report

    SciTech Connect

    Crouch, Rosalie K.; Ebrey, Thomas G.

    2000-02-10

    Bacteriorhodopsin (bR) is the simplest biological system for the transduction of light energy. Light energy is directly converted to transmembrane proton gradient by a single, small membrane protein. The extraordinary stability of bR makes it an outstanding subject for bioenergetic studies. This project has focused on the role of interactions between key residues of the pigment involved in light-induced proton transfer. Methods to estimate the strength of these interactions and their correlation with the rate and efficiency of proton transfer have been developed. The concept of the coupling of the protonation states of key groups has been applied to individual steps of the proton transfer with the ultimate goal of understanding on the molecular level the driving forces for proton transport and the pathway of the transported proton in bT. The mechanism of light-induced proton release, uptake and the mechanism of recovery of initial state of bT has been examined. The experiments were performed with genetically engineered, site-specific mutants of bR. This has enabled us to characterize the role of individual amino acid residues in bR. Time resolved and low temperature absorption spectroscopy and light-induced photocurrent measurements were used in order to study the photochemical cycle and proton transfer in mutant pigments. Chemical modification and crosslinking of both the specific amino acids to the chromophore or to other amino acids were used to elucidate the role of light-induced conformational changes in the photocycle and the structure of the protein in the ground state. The results of this project provided new knowledge on the architecture of the proton transfer pathways inside the protein, on the mechanism of proton release in bR, and on the role of specific amino acid residues in the structure and function of bR.

  20. Specific interactions between DNA and regulatory protein controlled by ligand-binding: Ab initio molecular simulation

    SciTech Connect

    Matsushita, Y. Murakawa, T. Shimamura, K. Oishi, M. Ohyama, T. Kurita, N.

    2015-02-27

    The catabolite activator protein (CAP) is one of the regulatory proteins controlling the transcription mechanism of gene. Biochemical experiments elucidated that the complex of CAP with cyclic AMP (cAMP) is indispensable for controlling the mechanism, while previous molecular simulations for the monomer of CAP+cAMP complex revealed the specific interactions between CAP and cAMP. However, the effect of cAMP-binding to CAP on the specific interactions between CAP and DNA is not elucidated at atomic and electronic levels. We here considered the ternary complex of CAP, cAMP and DNA in solvating water molecules and investigated the specific interactions between them at atomic and electronic levels using ab initio molecular simulations based on classical molecular dynamics and ab initio fragment molecular orbital methods. The results highlight the important amino acid residues of CAP for the interactions between CAP and cAMP and between CAP and DNA.

  1. Molecular Comb Development

    SciTech Connect

    Ferrell, T.L.; Thundat, G.T.; Witkowski, C.E., III

    2007-07-17

    This CRADA was developed to enable ORNL to assist Protein Discovery, Inc. to develop a novel biomolecular separation system based on an ORNL patent application 'Photoelectrochemical Molecular Comb' by Thundat, Ferrell, and Brown. The Molecular Comb concept is based on creating light-induced charge carriers at a semiconductor-liquid interface, which is kept at a potential control such that a depletion layer is formed in the semiconductor. Focusing light from a low-power illumination source creates electron-hole pairs, which get separated in the depletion layer. The light-induced charge carriers reaching the surface attract oppositely charged biomolecules present in the solution. The solution is a buffer solution with very small concentrations of biomolecules. As the focused light is moved across the surface of the semiconductor-liquid interface, the accumulated biomolecules follow the light beam. A thin layer of gel or other similar material on the surface of the semiconductor can act as a sieving medium for separating the biomolecules according to their sizes.

  2. Redox-controlled molecular permeability of composite-wall microcapsules

    NASA Astrophysics Data System (ADS)

    Ma, Yujie; Dong, Wen-Fei; Hempenius, Mark A.; Möhwald, Helmuth; Julius Vancso, G.

    2006-09-01

    Many smart materials in bioengineering, nanotechnology and medicine allow the storage and release of encapsulated drugs on demand at a specific location by an external stimulus. Owing to their versatility in material selection, polyelectrolyte multilayers are very promising systems in the development of microencapsulation technologies with permeation control governed by variations in the environmental conditions. Here, organometallic polyelectrolyte multilayer capsules, composed of polyanions and polycations of poly(ferrocenylsilane) (PFS), are introduced. Their preparation involved layer-by-layer self-assembly onto colloidal templates followed by core removal. PFS polyelectrolytes feature redox-active ferrocene units in the main chain. Incorporation of PFS into the capsule walls allowed us to explore the effects of a new stimulus, that is, changing the redox state, on capsule wall permeability. The permeability of these capsules could be sensitively tuned via chemical oxidation, resulting in a fast capsule expansion accompanied by a drastic permeability increase in response to a very small trigger. The substantial swelling could be suppressed by the application of an additional coating bearing common redox-inert species of poly(styrene sulfonate) (PSS-) and poly(allylamine hydrochloride) (PAH+) on the outer wall of the capsules. Hence, we obtained a unique capsule system with redox-controlled permeability and swellability with a high application potential in materials as well as in bioscience.

  3. Dr. Grant Heikan examines lunar material in sieve from sample container

    NASA Technical Reports Server (NTRS)

    1969-01-01

    Dr. Grant Heikan, Manned Spacecraft Center and a Lunar Sample preliminary Examination Team member, examines lunar material in a sieve from the bulk sample container which was opened in the Biopreparation Laboratory of the Lunar Receiving Laboratory.

  4. Centrifugal Sieve for Gravity-Level-Independent Size Segregation of Granular Materials

    NASA Technical Reports Server (NTRS)

    Walton, Otis R.; Dreyer, Christopher; Riedel, Edward

    2013-01-01

    Conventional size segregation or screening in batch mode, using stacked vibrated screens, is often a time-consuming process. Utilization of centrifugal force instead of gravity as the primary body force can significantly shorten the time to segregate feedstock into a set of different-sized fractions. Likewise, under reduced gravity or microgravity, a centrifugal sieve system would function as well as it does terrestrially. When vibratory and mechanical blade sieving screens designed for terrestrial conditions were tested under lunar gravity conditions, they did not function well. The centrifugal sieving design of this technology overcomes the issues that prevented sieves designed for terrestrial conditions from functioning under reduced gravity. These sieves feature a rotating outer (cylindrical or conical) screen wall, rotating fast enough for the centrifugal forces near the wall to hold granular material against the rotating screen. Conventional centrifugal sieves have a stationary screen and rapidly rotating blades that shear the granular solid near the stationary screen, and effect the sieving process assisted by the airflow inside the unit. The centrifugal sieves of this new design may (or may not) have an inner blade or blades, moving relative to the rotating wall screen. Some continuous flow embodiments would have no inner auger or blades, but achieve axial motion through vibration. In all cases, the shearing action is gentler than conventional centrifugal sieves, which have very high velocity differences between the stationary outer screen and the rapidly rotating blades. The new design does not depend on airflow in the sieving unit, so it will function just as well in vacuum as in air. One advantage of the innovation for batch sieving is that a batch-mode centrifugal sieve may accomplish the same sieving operation in much less time than a conventional stacked set of vibrated screens (which utilize gravity as the primary driving force for size separation

  5. Shape-selective sieving layers on an oxide catalyst surface.

    PubMed

    Canlas, Christian P; Lu, Junling; Ray, Natalie A; Grosso-Giordano, Nicolas A; Lee, Sungsik; Elam, Jeffrey W; Winans, Randall E; Van Duyne, Richard P; Stair, Peter C; Notestein, Justin M

    2012-12-01

    New porous materials such as zeolites, metal-organic frameworks and mesostructured oxides are of immense practical utility for gas storage, separations and heterogeneous catalysis. Their extended pore structures enable selective uptake of molecules or can modify the product selectivity (regioselectivity or enantioselectivity) of catalyst sites contained within. However, diffusion within pores can be problematic for biomass and fine chemicals, and not all catalyst classes can be readily synthesized with pores of the correct dimensions. Here, we present a novel approach that adds reactant selectivity to existing, non-porous oxide catalysts by first grafting the catalyst particles with single-molecule sacrificial templates, then partially overcoating the catalyst with a second oxide through atomic layer deposition. This technique is used to create sieving layers of Al(2)O(3) (thickness, 0.4-0.7 nm) with 'nanocavities' (<2 nm in diameter) on a TiO(2) photocatalyst. The additional layers result in selectivity (up to 9:1) towards less hindered reactants in otherwise unselective, competitive photocatalytic oxidations and transfer hydrogenations. PMID:23174984

  6. Shape-selective sieving layers on an oxide catalyst surface

    NASA Astrophysics Data System (ADS)

    Canlas, Christian P.; Lu, Junling; Ray, Natalie A.; Grosso-Giordano, Nicolas A.; Lee, Sungsik; Elam, Jeffrey W.; Winans, Randall E.; van Duyne, Richard P.; Stair, Peter C.; Notestein, Justin M.

    2012-12-01

    New porous materials such as zeolites, metal-organic frameworks and mesostructured oxides are of immense practical utility for gas storage, separations and heterogeneous catalysis. Their extended pore structures enable selective uptake of molecules or can modify the product selectivity (regioselectivity or enantioselectivity) of catalyst sites contained within. However, diffusion within pores can be problematic for biomass and fine chemicals, and not all catalyst classes can be readily synthesized with pores of the correct dimensions. Here, we present a novel approach that adds reactant selectivity to existing, non-porous oxide catalysts by first grafting the catalyst particles with single-molecule sacrificial templates, then partially overcoating the catalyst with a second oxide through atomic layer deposition. This technique is used to create sieving layers of Al2O3 (thickness, 0.4-0.7 nm) with ‘nanocavities’ (<2 nm in diameter) on a TiO2 photocatalyst. The additional layers result in selectivity (up to 9:1) towards less hindered reactants in otherwise unselective, competitive photocatalytic oxidations and transfer hydrogenations.

  7. Redox Control of Microglial Function: Molecular Mechanisms and Functional Significance

    PubMed Central

    McBean, Gethin; Cindric, Marina; Egea, Javier; López, Manuela G.; Rada, Patricia; Zarkovic, Neven

    2014-01-01

    Abstract Neurodegenerative diseases are characterized by chronic microglial over-activation and oxidative stress. It is now beginning to be recognized that reactive oxygen species (ROS) produced by either microglia or the surrounding environment not only impact neurons but also modulate microglial activity. In this review, we first analyze the hallmarks of pro-inflammatory and anti-inflammatory phenotypes of microglia and their regulation by ROS. Then, we consider the production of reactive oxygen and nitrogen species by NADPH oxidases and nitric oxide synthases and the new findings that also indicate an essential role of glutathione (γ-glutamyl-l-cysteinylglycine) in redox homeostasis of microglia. The effect of oxidant modification of macromolecules on signaling is analyzed at the level of oxidized lipid by-products and sulfhydryl modification of microglial proteins. Redox signaling has a profound impact on two transcription factors that modulate microglial fate, nuclear factor kappa-light-chain-enhancer of activated B cells, and nuclear factor (erythroid-derived 2)-like 2, master regulators of the pro-inflammatory and antioxidant responses of microglia, respectively. The relevance of these proteins in the modulation of microglial activity and the interplay between them will be evaluated. Finally, the relevance of ROS in altering blood brain barrier permeability is discussed. Recent examples of the importance of these findings in the onset or progression of neurodegenerative diseases are also discussed. This review should provide a profound insight into the role of redox homeostasis in microglial activity and help in the identification of new promising targets to control neuroinflammation through redox control of the brain. Antioxid. Redox Signal. 21, 1766–1801. PMID:24597893

  8. A sieving method for collecting the metacercariae of trematode parasites from freshwater fish.

    PubMed

    Fan, P C; Wu, C C; Huang, P; Yen, C W

    2002-03-01

    This study describes a sieving method for the collection of metacercariae from frozen (-20 degrees C) freshwater fish. Digested fish tissue is filtered through a series of sieves; the crude filtrate is then centrifuged. Centrifugation produces a sediment from which metacercariae can be removed. Half of the metracercariae that were obtained from the fish meat that had been frozen for 10 days (-20 degrees C) were dead; the other half were alive and some larvae were moving slowly. PMID:12118453

  9. Quantum Control of Atomic and Molecular Translational Motion

    SciTech Connect

    Raizen, M.G.; Fink, M.

    2005-08-25

    Our research program focuses on the development of a method to cool atoms and molecules of any choice as long as they have a stable gaseous phase. Our approach starts with a very cold supersonic beam of He seeded with the molecules of choice. The internal temperature can reach 1 milliKelvin or less. The high center of mass velocity of the particles forming the beam will be reduced by elastically scattering the atoms/molecules from a very cold single crystal surface (20-40K), which moves in the beam direction. This will enable the continuous control of the mean velocity over a large range, after scattering, down to a few tens of m/s or even below as the crystal surface's velocity approaches v/2 of the impacting particles. We will use the decelerated particles as a source for a white-fringe matter-wave interferometer, where one reflector is a very cold surface of interest. The interference pattern will reveal the real part (via integral intensities) and the imaginary part (via phase shifts) of the scattering cross sections. This is particularly interesting for H{sub 2} and resonance structures. This interferometer set-up follows closely Prichard's arrangement.

  10. Reaction -Diffusion Systems in Intracellular Molecular Transport and Control

    PubMed Central

    Soh, Siowling; Byrska, Marta; Kandere-Grzybowska, Kristiana

    2013-01-01

    Chemical reactions make cells work only if the participating chemicals are delivered to desired locations in a timely and precise fashion. While most research to date has focused on the so-called active-transport mechanisms, “passive” diffusion is often equally rapid and is always energetically less costly. Capitalizing on these advantages, cells have developed sophisticated reaction-diffusion (RD) systems that control a wide range of cellular functions – from chemotaxis and cell division, through signaling cascades and oscillations, to cell motility. Despite their apparent diversity, these systems share many common features and are “wired” according to “generic” motifs involving non-linear kinetics, autocatalysis, and feedback loops. Understanding the operation of these complex (bio)chemical systems requires the analysis of pertinent transport-kinetic equations or, at least on a qualitative level, of the characteristic times describing constituent sub-processes. Therefore, in reviewing the manifestations of cellular RD, we also attempt to familiarize the reader with the basic theory of these processes. PMID:20518023

  11. Molecular control of irreversible bistability during trypanosome developmental commitment

    PubMed Central

    Domingo-Sananes, Maria Rosa; Szöőr, Balazs; Ferguson, Michael A.J.

    2015-01-01

    The life cycle of Trypanosoma brucei involves developmental transitions that allow survival, proliferation, and transmission of these parasites. One of these, the differentiation of growth-arrested stumpy forms in the mammalian blood into insect-stage procyclic forms, can be induced synchronously in vitro with cis-aconitate. Here, we show that this transition is an irreversible bistable switch, and we map the point of commitment to differentiation after exposure to cis-aconitate. This irreversibility implies that positive feedback mechanisms operate to allow commitment (i.e., the establishment of “memory” of exposure to the differentiation signal). Using the reversible translational inhibitor cycloheximide, we show that this signal memory requires new protein synthesis. We further performed stable isotope labeling by amino acids in cell culture to analyze synchronized parasite populations, establishing the protein and phosphorylation profile of parasites pre- and postcommitment, thereby defining the “commitment proteome.” Functional interrogation of this data set identified Nek-related kinase as the first-discovered protein kinase controlling the initiation of differentiation to procyclic forms. PMID:26483558

  12. Molecular mechanisms controlling CFTR gene expression in the airway

    PubMed Central

    Zhang, Zhaolin; Ott, Christopher J; Lewandowska, Marzena A; Leir, Shih-Hsing; Harris, Ann

    2012-01-01

    Abstract The low levels of CFTR gene expression and paucity of CFTR protein in human airway epithelial cells are not easily reconciled with the pivotal role of the lung in cystic fibrosis pathology. Previous data suggested that the regulatory mechanisms controlling CFTR gene expression might be different in airway epithelium in comparison to intestinal epithelium where CFTR mRNA and protein is much more abundant. Here we examine chromatin structure and modification across the CFTR locus in primary human tracheal (HTE) and bronchial (NHBE) epithelial cells and airway cell lines including 16HBE14o- and Calu3. We identify regions of open chromatin that appear selective for primary airway epithelial cells and show that several of these are enriched for a histone modification (H3K4me1) that is characteristic of enhancers. Consistent with these observations, three of these sites encompass elements that have cooperative enhancer function in reporter gene assays in 16HBE14o- cells. Finally, we use chromosome conformation capture (3C) to examine the three-dimensional structure of nearly 800 kb of chromosome 7 encompassing CFTR and observe long-range interactions between the CFTR promoter and regions far outside the locus in cell types that express high levels of CFTR. PMID:21895967

  13. Aphid salivary proteases are capable of degrading sieve-tube proteins.

    PubMed

    Furch, Alexandra C U; van Bel, Aart J E; Will, Torsten

    2015-02-01

    Sieve tubes serve as transport conduits for photo-assimilates and other resources in angiosperms and are profitable targets for piercing-sucking insects such as aphids. Sieve-tube sap also contains significant amounts of proteins with diverse functions, for example in signalling, metabolism, and defence. The identification of salivary proteases in Acyrthosiphon pisum led to the hypothesis that aphids might be able to digest these proteins and by doing so suppress plant defence and access additional nitrogen sources. Here, the scarce knowledge of proteases in aphid saliva is briefly reviewed. In order to provide a better platform for discussion, we conducted a few tests on in vitro protease activity and degradation of sieve-tube sap proteins of Cucurbita maxima by watery saliva. Inhibition of protein degradation by EDTA indicates the presence of different types of proteases (e.g. metalloproteses) in saliva of A. pisum. Proteases in the watery saliva from Macrosiphum euphorbiae and A. pisum were able to degrade the most abundant phloem protein, which is phloem protein 1. Our results provide support for the breakdown of sieve-element proteins by aphid saliva in order to suppress/neutralize the defence responses of the plant and to make proteins of sieve-tube sap accessible as a nitrogen source, as is discussed in detail. Finally, we discuss whether glycosylation of sieve-element proteins and the presence of protease inhibitors may confer partial protection against the proteolytic activity of aphid saliva. PMID:25540441

  14. P-proteins in Arabidopsis are heteromeric structures involved in rapid sieve tube sealing

    PubMed Central

    Jekat, Stephan B.; Ernst, Antonia M.; von Bohl, Andreas; Zielonka, Sascia; Twyman, Richard M.; Noll, Gundula A.; Prüfer, Dirk

    2013-01-01

    Structural phloem proteins (P-proteins) are characteristic components of the sieve elements in all dicotyledonous and many monocotyledonous angiosperms. Tobacco P-proteins were recently confirmed to be encoded by the widespread sieve element occlusion (SEO) gene family, and tobacco SEO proteins were shown to be directly involved in sieve tube sealing thus preventing the loss of photosynthate. Analysis of the two Arabidopsis SEO proteins (AtSEOa and AtSEOb) indicated that the corresponding P-protein subunits do not act in a redundant manner. However, there are still pending questions regarding the interaction properties and specific functions of AtSEOa and AtSEOb as well as the general function of structural P-proteins in Arabidopsis. In this study, we characterized the Arabidopsis P-proteins in more detail. We used in planta bimolecular fluorescence complementation assays to confirm the predicted heteromeric interactions between AtSEOa and AtSEOb. Arabidopsis mutants depleted for one or both AtSEO proteins lacked the typical P-protein structures normally found in sieve elements, underlining the identity of AtSEO proteins as P-proteins and furthermore providing the means to determine the role of Arabidopsis P-proteins in sieve tube sealing. We therefore developed an assay based on phloem exudation. Mutants with reduced AtSEO expression levels lost twice as much photosynthate following injury as comparable wild-type plants, confirming that Arabidopsis P-proteins are indeed involved in sieve tube sealing. PMID:23840197

  15. Conservation Biological Control of Pests in the Molecular Era: New Opportunities to Address Old Constraints

    PubMed Central

    Gurr, Geoff M.; You, Minsheng

    2016-01-01

    Biological control has long been considered a potential alternative to pesticidal strategies for pest management but its impact and level of use globally remain modest and inconsistent. A rapidly expanding range of molecular – particularly DNA-related – techniques is currently revolutionizing many life sciences. This review identifies a series of constraints on the development and uptake of conservation biological control and considers the contemporary and likely future influence of molecular methods on these constraints. Molecular approaches are now often used to complement morphological taxonomic methods for the identification and study of biological control agents including microbes. A succession of molecular techniques has been applied to ‘who eats whom’ questions in food-web ecology. Polymerase chain reaction (PCR) approaches have largely superseded immunological approaches such as enzyme-linked immunosorbent assay (ELISA) and now – in turn – are being overtaken by next generation sequencing (NGS)-based approaches that offer unparalleled power at a rapidly diminishing cost. There is scope also to use molecular techniques to manipulate biological control agents, which will be accelerated with the advent of gene editing tools, the CRISPR/Cas9 system in particular. Gene editing tools also offer unparalleled power to both elucidate and manipulate plant defense mechanisms including those that involve natural enemy attraction to attacked plants. Rapid advances in technology will allow the development of still more novel pest management options for which uptake is likely to be limited chiefly by regulatory hurdles. PMID:26793225

  16. The contribution of molecular epidemiology to the understanding and control of viral diseases of salmonid aquaculture

    PubMed Central

    2011-01-01

    Molecular epidemiology is a science which utilizes molecular biology to define the distribution of disease in a population (descriptive epidemiology) and relies heavily on integration of traditional (or analytical) epidemiological approaches to identify the etiological determinants of this distribution. The study of viral pathogens of aquaculture has provided many exciting opportunities to apply such tools. This review considers the extent to which molecular epidemiological studies have contributed to better understanding and control of disease in aquaculture, drawing on examples of viral diseases of salmonid fish of commercial significance including viral haemorrhagic septicaemia virus (VHSV), salmonid alphavirus (SAV) and infectious salmon anaemia virus (ISAV). Significant outcomes of molecular epidemiological studies include: Improved taxonomic classification of viruses A better understanding of the natural distribution of viruses An improved understanding of the origins of viral pathogens in aquaculture An improved understanding of the risks of translocation of pathogens outwith their natural host range An increased ability to trace the source of new disease outbreaks Development of a basis for ensuring development of appropriate diagnostic tools An ability to classify isolates and thus target future research aimed at better understanding biological function While molecular epidemiological studies have no doubt already made a significant contribution in these areas, the advent of new technologies such as pyrosequencing heralds a quantum leap in the ability to generate descriptive molecular sequence data. The ability of molecular epidemiology to fulfil its potential to translate complex disease pathways into relevant fish health policy is thus unlikely to be limited by the generation of descriptive molecular markers. More likely, full realisation of the potential to better explain viral transmission pathways will be dependent on the ability to assimilate and

  17. Tuning Pore Size in Square-Lattice Coordination Networks for Size-Selective Sieving of CO2.

    PubMed

    Chen, Kai-Jie; Madden, David G; Pham, Tony; Forrest, Katherine A; Kumar, Amrit; Yang, Qing-Yuan; Xue, Wei; Space, Brian; Perry, John J; Zhang, Jie-Peng; Chen, Xiao-Ming; Zaworotko, Michael J

    2016-08-22

    Porous materials capable of selectively capturing CO2 from flue-gases or natural gas are of interest in terms of rising atmospheric CO2 levels and methane purification. Size-exclusive sieving of CO2 over CH4 and N2 has rarely been achieved. Herein we show that a crystal engineering approach to tuning of pore-size in a coordination network, [Cu(quinoline-5-carboxyate)2 ]n (Qc-5-Cu) ena+bles ultra-high selectivity for CO2 over N2 (SCN ≈40 000) and CH4 (SCM ≈3300). Qc-5-Cu-sql-β, a narrow pore polymorph of the square lattice (sql) coordination network Qc-5-Cu-sql-α, adsorbs CO2 while excluding both CH4 and N2 . Experimental measurements and molecular modeling validate and explain the performance. Qc-5-Cu-sql-β is stable to moisture and its separation performance is unaffected by humidity. PMID:27439315

  18. Vascular Cell Induction Culture System Using Arabidopsis Leaves (VISUAL) Reveals the Sequential Differentiation of Sieve Element-Like Cells.

    PubMed

    Kondo, Yuki; Nurani, Alif Meem; Saito, Chieko; Ichihashi, Yasunori; Saito, Masato; Yamazaki, Kyoko; Mitsuda, Nobutaka; Ohme-Takagi, Masaru; Fukuda, Hiroo

    2016-06-01

    Cell differentiation is a complex process involving multiple steps, from initial cell fate specification to final differentiation. Procambial/cambial cells, which act as vascular stem cells, differentiate into both xylem and phloem cells during vascular development. Recent studies have identified regulatory cascades for xylem differentiation. However, the molecular mechanism underlying phloem differentiation is largely unexplored due to technical challenges. Here, we established an ectopic induction system for phloem differentiation named Vascular Cell Induction Culture System Using Arabidopsis Leaves (VISUAL). Our results verified similarities between VISUAL-induced Arabidopsis thaliana phloem cells and in vivo sieve elements. We performed network analysis using transcriptome data with VISUAL to dissect the processes underlying phloem differentiation, eventually identifying a factor involved in the regulation of the master transcription factor gene APL Thus, our culture system opens up new avenues not only for genetic studies of phloem differentiation, but also for future investigations of multidirectional differentiation from vascular stem cells. PMID:27194709

  19. Phosphorescent Molecular Butterflies with Controlled Potential-Energy Surfaces and Their Application as Luminescent Viscosity Sensor.

    PubMed

    Zhou, Chenkun; Yuan, Lin; Yuan, Zhao; Doyle, Nicholas Kelly; Dilbeck, Tristan; Bahadur, Divya; Ramakrishnan, Subramanian; Dearden, Albert; Huang, Chen; Ma, Biwu

    2016-09-01

    We report precise manipulation of the potential-energy surfaces (PESs) of a series of butterfly-like pyrazolate-bridged platinum binuclear complexes, by synthetic control of the electronic structure of the cyclometallating ligand and the steric bulkiness of the pyrazolate bridging ligand. Color tuning of dual emission from blue/red, to green/red and red/deep red were achieved for these phosphorescent molecular butterflies, which have two well-controlled energy minima on the PESs. The environmentally dependent photoluminescence of these molecular butterflies enabled their application as self-referenced luminescent viscosity sensor. PMID:27500886

  20. Molecular mechanisms for the control of translation by insulin.

    PubMed Central

    Proud, C G; Denton, R M

    1997-01-01

    Insulin acutely stimulates protein synthesis in mammalian cells, and this involves activation of the process of mRNA translation. mRNA translation is a complex multi-step process mediated by proteins termed translation factors. Several translation factors are regulated in response to insulin, often as a consequence of changes in their states of phosphorylation. The initiation factor eIF4E binds to the cap structure at the 5'-end of the mRNA and mediates assembly of an initiation-factor complex termed eIF4F. Assembly of this complex can be regulated by eIF4E-binding proteins (4E-BPs), which inhibit eIF4F complex assembly. Insulin induces phosphorylation of the 4E-BPs, resulting in alleviation of the inhibition. This regulatory mechanism is likely to be especially important for the control of the translation of specific mRNAs whose 5'-untranslated regions (5'-UTRs) are rich in secondary structure. Translation of another class of mRNAs, those with 5'-UTRs containing polypyrimidine tracts is also activated by insulin and this, like phosphorylation of the 4E-BPs, appears to involve the rapamycin-sensitive signalling pathway which leads to activation of the 70 kDa ribosomal protein S6 kinase (p70 S6 kinase) and the phosphorylation of the ribosomal protein S6. Overall stimulation of translation may involve activation of initiation factor eIF2B, which is required for all initiation events. This effect is dependent upon phosphatidylinositol 3-kinase and may involve the inactivation of glycogen synthase kinase-3 and consequent dephosphorylation of eIF2B, leading to its activation. Peptide-chain elongation can also be activated by insulin, and this is associated with the dephosphorylation and activation of elongation factor eEF2, probably as a consequence of the insulin-induced reduction in eEF2 kinase activity. Thus multiple signalling pathways acting on different steps in translation are involved in the activation of this process by insulin and lead both to general

  1. Methanol-induced chain termination in poly(3-hydroxybutyrate) biopolymers: molecular weight control

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A systematic study was performed to demonstrate the impact of methanol (MeOH) on poly(3-hydroxybutyrate) (PHB) synthesis and molecular weight (MW) control. Glycerine (init. conc. = 1.0%; w/v), was used as the primary carbon source in batch-culture fermentations with varying concentrations (0 to 0.85...

  2. Recovering ultraclean lignins of controlled molecular weight from Kraft black-liquor lignins.

    PubMed

    Klett, A S; Chappell, P V; Thies, M C

    2015-08-18

    By operating in a region of liquid-liquid equilibrium, hot acetic acid-water mixtures can be used to simultaneously clean, fractionate, and solvate Kraft black-liquor lignins. Lignin-rich liquid phases of controlled molecular weight with key metals contents reduced to <50 ppm are obtained without a washing step. PMID:26169767

  3. Molecular biology approaches to control of intractable weeds: New strategies and complements to existing biological practices

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Molecular genetic tools and concepts are in relentless and continuous development, affecting every field of biology. Biological control of weeds, an applied science with over a century of history, is no exception. This field has been dominated from the beginning by its foundation concept, classical ...

  4. Molecular isomerization and fragmentation of polyatomic molecules controlled by inner-valence recollision-ionization

    NASA Astrophysics Data System (ADS)

    Xie, X.; Doblhoff-Dier, K.; Roither, S.; Schöffler, M.; Kartashov, D.; Xu, H.; Rathje, T.; Paulus, G. G.; Baltuška, A.; Gräfe, S.; Kitzler, M.

    2014-04-01

    Control over various fragmentation reactions of a series of polyatomic molecules (acetylene, ethylene, 1,3-butadiene) by the optical waveform of intense few-cycle laser pulses is demonstrated experimentally. We show both experimentally and theoretically that the responsible mechanism is inelastic ionization from inner-valence molecular orbitals by recolliding electron wave packets.

  5. Optimising molecular diagnostic capacity for effective control of tuberculosis in high-burden settings.

    PubMed

    Sabiiti, W; Mtafya, B; Kuchaka, D; Azam, K; Viegas, S; Mdolo, A; Farmer, E C W; Khonga, M; Evangelopoulos, D; Honeyborne, I; Rachow, A; Heinrich, N; Ntinginya, N E; Bhatt, N; Davies, G R; Jani, I V; McHugh, T D; Kibiki, G; Hoelscher, M; Gillespie, S H

    2016-08-01

    The World Health Organization's 2035 vision is to reduce tuberculosis (TB) associated mortality by 95%. While low-burden, well-equipped industrialised economies can expect to see this goal achieved, it is challenging in the low- and middle-income countries that bear the highest burden of TB. Inadequate diagnosis leads to inappropriate treatment and poor clinical outcomes. The roll-out of the Xpert(®) MTB/RIF assay has demonstrated that molecular diagnostics can produce rapid diagnosis and treatment initiation. Strong molecular services are still limited to regional or national centres. The delay in implementation is due partly to resources, and partly to the suggestion that such techniques are too challenging for widespread implementation. We have successfully implemented a molecular tool for rapid monitoring of patient treatment response to anti-tuberculosis treatment in three high TB burden countries in Africa. We discuss here the challenges facing TB diagnosis and treatment monitoring, and draw from our experience in establishing molecular treatment monitoring platforms to provide practical insights into successful optimisation of molecular diagnostic capacity in resource-constrained, high TB burden settings. We recommend a holistic health system-wide approach for molecular diagnostic capacity development, addressing human resource training, institutional capacity development, streamlined procurement systems, and engagement with the public, policy makers and implementers of TB control programmes. PMID:27393531

  6. A Plasma Membrane-Anchored Fluorescent Protein Fusion Illuminates Sieve Element Plasma Membranes in Arabidopsis and Tobacco1[W][OA

    PubMed Central

    Thompson, Matthew V.; Wolniak, Stephen M.

    2008-01-01

    Rapid acquisition of quantitative anatomical data from the sieve tubes of angiosperm phloem has been confounded by their small size, their distance from organ surfaces, and the time-consuming nature of traditional methods, such as transmission electron microscopy. To improve access to these cells, for which good anatomical data are critical, a monomeric yellow fluorescent protein (mCitrine) was N-terminally fused to a small (approximately 6 kD) membrane protein (AtRCI2A) and stably expressed in Arabidopsis thaliana (Columbia-0 ecotype) and Nicotiana tabacum (‘Samsun’) under the control of a companion cell-specific promoter (AtSUC2p). The construct, called by its abbreviation SUmCR, yielded stable sieve element (SE) plasma membrane fluorescence labeling, even after plastic (methacrylate) embedding. In conjunction with wide-field fluorescence measurements of sieve pore number and position using aniline blue-stained callose, mCitrine-labeled material was used to calculate rough estimates of sieve tube-specific conductivity for both species. The SUmCR construct also revealed a hitherto unknown expression domain of the AtSUC2 Suc-H+ symporter in the epidermis of the cell division zone of developing root tips. The success of this construct in targeting plasma membrane-anchored fluorescent proteins to SEs could be attributable to the small size of AtRCI2A or to the presence of other signals innate to AtRCI2A that permit the protein to be trafficked to SEs. The construct provides a hitherto unique entrée into companion cell-to-SE protein targeting, as well as a new tool for studying whole-plant phloem anatomy and architecture. PMID:18223149

  7. Control of molecular rotor rotational frequencies in porous coordination polymers using a solid-solution approach.

    PubMed

    Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu

    2015-09-30

    Rational design to control the dynamics of molecular rotors in crystalline solids is of interest because it offers advanced materials with precisely tuned functionality. Herein, we describe the control of the rotational frequency of rotors in flexible porous coordination polymers (PCPs) using a solid-solution approach. Solid-solutions of the flexible PCPs [{Zn(5-nitroisophthalate)x(5-methoxyisophthalate)1-x(deuterated 4,4'-bipyridyl)}(DMF·MeOH)]n allow continuous modulation of cell volume by changing the solid-solution ratio x. Variation of the isostructures provides continuous changes in the local environment around the molecular rotors (pyridyl rings of the 4,4'-bipyridyl group), leading to the control of the rotational frequency without the need to vary the temperature. PMID:26368067

  8. Molecular control of electron and hole transfer processes: Theory and applications

    SciTech Connect

    Newton, M.D.; Cave, R.J.

    1996-02-01

    Recent decades have seen remarkable advances in microscopic understanding of electron transfer (ET) processes in widely ranging contexts, including solid-state, liquid solution, and complex biological assemblies. The primary goal of this chapter is to report recent advances in the modeling, calculation, and analysis of electronic coupling in complex molecular aggregates, thereby allowing an assessment of current progress toward the goal of molecular-level control and design. The control of electron transfer kinetics (i.e., enhancing desired processes, while inhibiting others) involves, of course, system energetics (especially activation and reorganization energies) as well as electronic coupling, which is most directly relevant only after the system has reached the appropriate point (or region) along the reaction coordinate. Nevertheless, to focus the discussion in this chapter, the authors will consider such energetics, and the associated molecular and solvent coordinates which control then, only to the extent that they bear on the analysis of the electronic coupling. In the following sections they first discuss the formulation of basic ET models, including the definition of initial and final states, the role of orbitals and 1-particle models in a many-electron context, the utility of various effective Hamiltonians, and the role of vibronic as well as purely electronic effects. With these theoretical tools in hand, they then examine very recent applications to complex molecular systems using the techniques of computational quantum chemistry, followed by detailed analysis of the numerical results. They then conclude with some comments regarding the current ``state of the art`` and remaining challenges.

  9. Mimicking Biological Delivery Through Feedback-Controlled Drug Release Systems Based on Molecular Imprinting

    PubMed Central

    Kryscio, David R.; Peppas, Nicholas A.

    2015-01-01

    Intelligent drug delivery systems (DDS) are able to rapidly detect a biological event and respond appropriately by releasing a therapeutic agent; thus, they are advantageous over their conventional counterparts. Molecular imprinting is a promising area that generates a polymeric network which can selectively recognize a desired analyte. This field has been studied for a variety of applications over a long period of time, but only recently has it been investigated for biomedical and pharmaceutical applications. Recent work in the area of molecularly imprinted polymers in drug delivery highlights the potential of these recognitive networks as environmentally responsive DDS that can ultimately lead to feedback controlled recognitive release systems. PMID:26500352

  10. Molecular Typing of Mycobacterium Tuberculosis Strains: A Fundamental Tool for Tuberculosis Control and Elimination

    PubMed Central

    Cannas, Angela; Mazzarelli, Antonio; Di Caro, Antonino; Delogu, Giovanni; Girardi, Enrico

    2016-01-01

    Tuberculosis (TB) is still an important cause of morbidity and mortality worldwide. An improvement of the strategies for disease control is necessary in both low- and high-incidence TB countries. Clinicians, epidemiologists, laboratory specialists, and public health players should work together in order to achieve a significant reduction in TB transmission and spread of drug-resistant strains. Effective TB surveillance relies on early diagnosis of new cases, appropriate therapy, and accurate detection of outbreaks in the community, in order to implement proper TB control strategies. To achieve this goal, information from classical and molecular epidemiology, together with patient clinical data need to be combined. In this review, we summarize the methodologies currently used in molecular epidemiology, namely molecular typing. We will discuss their efficiency to phylogenetically characterize Mycobacterium tuberculosis isolates, and their ability to provide information that can be useful for disease control. We will also introduce next generation sequencing as the methodology that potentially could provide in a short time both, detection of new outbreaks and identification of resistance patterns. This could envision a potential of next generation sequencing as an important tool for accurate patient management and disease control. PMID:27403266

  11. Laser Diffraction Techniques Replace Sieving for Lunar Soil Particle Size Distribution Data

    NASA Technical Reports Server (NTRS)

    Cooper, Bonnie L.; Gonzalez, C. P.; McKay, D. S.; Fruland, R. L.

    2012-01-01

    Sieving was used extensively until 1999 to determine the particle size distribution of lunar samples. This method is time-consuming, and requires more than a gram of material in order to obtain a result in which one may have confidence. This is demonstrated by the difference in geometric mean and median for samples measured by [1], in which a 14-gram sample produced a geometric mean of approx.52 micrometers, whereas two other samples of 1.5 grams resulted in gave means of approx.63 and approx.69 micrometers. Sample allocations for sieving are typically much smaller than a gram, and many of the sample allocations received by our lab are 0.5 to 0.25 grams in mass. Basu [2] has described how the finest fraction of the soil is easily lost in the sieving process, and this effect is compounded when sample sizes are small.

  12. Live Imaging of Companion Cells and Sieve Elements in Arabidopsis Leaves

    PubMed Central

    Cayla, Thibaud; Batailler, Brigitte; Le Hir, Rozenn; Revers, Frédéric; Anstead, James A.; Thompson, Gary A.; Grandjean, Olivier; Dinant, Sylvie

    2015-01-01

    The phloem is a complex tissue composed of highly specialized cells with unique subcellular structures and a compact organization that is challenging to study in vivo at cellular resolution. We used confocal scanning laser microscopy and subcellular fluorescent markers in companion cells and sieve elements, for live imaging of the phloem in Arabidopsis leaves. This approach provided a simple framework for identifying phloem cell types unambiguously. It highlighted the compactness of the meshed network of organelles within companion cells. By contrast, within the sieve elements, unknown bodies were observed in association with the PP2-A1:GFP, GFP:RTM1 and RTM2:GFP markers at the cell periphery. The phloem lectin PP2-A1:GFP marker was found in the parietal ground matrix. Its location differed from that of the P-protein filaments, which were visualized with SEOR1:GFP and SEOR2:GFP. PP2-A1:GFP surrounded two types of bodies, one of which was identified as mitochondria. This location suggested that it was embedded within the sieve element clamps, specific structures that may fix the organelles to each another or to the plasma membrane in the sieve tubes. GFP:RTM1 was associated with a class of larger bodies, potentially corresponding to plastids. PP2-A1:GFP was soluble in the cytosol of immature sieve elements. The changes in its subcellular localization during differentiation provide an in vivo blueprint for monitoring this process. The subcellular features obtained with these companion cell and sieve element markers can be used as landmarks for exploring the organization and dynamics of phloem cells in vivo. PMID:25714357

  13. Computational image formation with photon sieves for milli-arcsecond solar imaging

    NASA Astrophysics Data System (ADS)

    Oktem, Figen S.; Kamalabadi, Farzad; Davila, Joseph

    2016-07-01

    A photon sieve is a modification of a Fresnel zone plate in which open zones are replaced by a large number of circular holes. This diffractive imaging element is specially suited to observations at UV and x-ray wavelengths where refractive lenses are not available due to strong absorption of materials, and reflective mirrors are difficult to manufacture with sufficient surface figure accuracy to achieve diffraction-limited resolution. On the other hand, photon sieves enable diffraction-limited imaging with much more relaxed tolerances than conventional imaging technology. In this presentation, we present the capabilities of an instrument concept that is based on computational image formation with photon sieves. The instrument enables high-resolution spectral imaging by distributing the imaging task between a photon sieve system and a computational method. A photon sieve coupled with a moving detector provides measurements from multiple planes. Then computational image formation, which involves deconvolution, is performed in a Bayesian estimation framework to reconstruct the multi-spectral images from these measurements. In addition to diffraction-limited high spatial resolution enabled by photon sieves, this instrument can also achieve higher spectral resolution than the conventional spectral imagers, since the technique offers the possibility of separating nearby spectral components that would not otherwise be possible using wavelength filters. Here, the promising capabilities and the imaging performance are shown for imaging the solar corona at EUV wavelengths. The effectiveness of various potential observing scenarios, the effects of interfering emission lines, and the appropriate form of the cost function for image deconvolution are examined.

  14. Control of ultrafast molecular photodissociation by laser-field-induced potentials

    NASA Astrophysics Data System (ADS)

    Corrales, M. E.; González-Vázquez, J.; Balerdi, G.; Solá, I. R.; de Nalda, R.; Bañares, L.

    2014-09-01

    Experiments aimed at understanding ultrafast molecular processes are now routine, and the notion that external laser fields can constitute an additional reagent is also well established. The possibility of externally controlling a reaction with radiation increases immensely when its intensity is sufficiently high to distort the potential energy surfaces at which chemists conceptualize reactions take place. Here we explore the transition from the weak- to the strong-field regimes of laser control for the dissociation of a polyatomic molecule, methyl iodide. The control over the yield of the photodissociation reaction proceeds through the creation of a light-induced conical intersection. The control of the velocity of the product fragments requires external fields with both high intensities and short durations. This is because the mechanism by which control is exerted involves modulating the potentials around the light-induced conical intersection, that is, creating light-induced potentials.

  15. Molecular doping for control of gate bias stress in organic thin film transistors

    SciTech Connect

    Hein, Moritz P. Lüssem, Björn; Jankowski, Jens; Tietze, Max L.; Riede, Moritz K.; Zakhidov, Alexander A.; Leo, Karl; Fraunhofer COMEDD, Maria-Reiche-Str. 2, 01109 Dresden

    2014-01-06

    The key active devices of future organic electronic circuits are organic thin film transistors (OTFTs). Reliability of OTFTs remains one of the most challenging obstacles to be overcome for broad commercial applications. In particular, bias stress was identified as the key instability under operation for numerous OTFT devices and interfaces. Despite a multitude of experimental observations, a comprehensive mechanism describing this behavior is still missing. Furthermore, controlled methods to overcome these instabilities are so far lacking. Here, we present the approach to control and significantly alleviate the bias stress effect by using molecular doping at low concentrations. For pentacene and silicon oxide as gate oxide, we are able to reduce the time constant of degradation by three orders of magnitude. The effect of molecular doping on the bias stress behavior is explained in terms of the shift of Fermi Level and, thus, exponentially reduced proton generation at the pentacene/oxide interface.

  16. A novel approach in controlling the conductivity of thin films using molecular layer deposition

    NASA Astrophysics Data System (ADS)

    Lushington, Andrew; Liu, Jian; Bannis, Mohammad N.; Xiao, Biwei; Lawes, Stephen; Li, Ruying; Sun, Xueliang

    2015-12-01

    Here we present a novel way to grow aluminum alkoxide films with tunable conductivity with molecular level accuracy with the use of molecular layer deposition (MLD). Alternating exposures of trimethylaluminum (TMA), ethylene glycol (EG), and terephthaloyl chloride (TC) are used to grow the aluminium alkoxide films. Control over film composition was accomplished by alternating cycles of EG and TC between cycles of TMA and EG. In this fashion the aluminum to carbon ratio can be accurately controlled. These films were then pyrolyzed under a reducing atmosphere to yield a conductive Al2O3/carbon composite. Raman spectroscopy determined that nanocrystalline sp2-graphitic carbon was formed following pyrolysis while sheet resistance measurements determined that conductivity of the film is directly related to aluminium-carbon ratio. To further elucidate the origin of conductivity within the film, synchrotron based XPS was performed.

  17. Field-Free Alignment and Strong Field Control of Molecular Rotors

    NASA Astrophysics Data System (ADS)

    Spanner, Michael

    2004-12-01

    Methods of controlling molecular rotations using linearly polarized femtosecond and picosecond pulses are considered and analyzed theoretically. These laser pulses, typically in the infrared, are highly non-resonant with respect to the electronic degrees of freedom of the molecules and have intensities of ~ 10^13 to 10^14 W/cm?. It is shown how these laser pulses can force small linear molecules to align with the direction of the electric field vector of the laser both in the presence of the laser field as well as after the application of a short laser pulse. Recent experiments on laser-induced molecular alignment are modeled and excellent agreement between experiment and theory is found. Additional methods of controlling molecular rotational dynamics are outlined. The first method considers the forced rotational acceleration of diatomic molecules, called the optical centrifuge. Here, the direction of polarization of a linearly polarized laser field is made to smoothly rotate faster and faster. The molecules, which tend to align with the polarization vector of the laser field, follow the rotation of the laser polarization and are accelerated to high angular momentum. The second method considers the control of field-free rotational dynamics by applying phase shifts to the molecular wave function at select times called fractional revivals. At these select moments, an initially localized wave function splits into several copies of the initial state. Adding phase shifts to the copies then induces interference effects which can be used to control the subsequent evolution of the rotational wave function. This same control scheme has a close link to quantum information and this connection is outlined. Finally, a recently proposed method of controlling the quantum dynamics of the classically chaotic kicked rotor system [J. Gong and P. Brumer, Phys. Rev. Lett. 86, 1741 (2001)] is analyzed from a phase space perspective. It is shown that the proposed quantum control can be

  18. MassSieve: panning MS/MS peptide data for proteins.

    PubMed

    Slotta, Douglas J; McFarland, Melinda A; Markey, Sanford P

    2010-08-01

    We present MassSieve, a Java-based platform for visualization and parsimony analysis of single and comparative LC-MS/MS database search engine results. The success of mass spectrometric peptide sequence assignment algorithms has led to the need for a tool to merge and evaluate the increasing data set sizes that result from LC-MS/MS-based shotgun proteomic experiments. MassSieve supports reports from multiple search engines with differing search characteristics, which can increase peptide sequence coverage and/or identify conflicting or ambiguous spectral assignments. PMID:20564260

  19. Bidirectional Translocation of Sugars in Sieve Tubes of Squash Plants 1

    PubMed Central

    Trip, P.; Gorham, P. R.

    1968-01-01

    Two streams of sugars moving in opposite directions in the petiole of a half-grown leaf were demonstrated by feeding tritiated glucose to a fully grown leaf of a squash plant (Cucurbita melopepo Bailey) and 14CO2 to the half-grown one. Autoradiographic evidence indicates that the movement of both streams occurred within the same sieve tubes. The data do not fit the mass flow theory of translocation which requires unidirectional flow of sugar solution in the lumen of the sieve tube. Images PMID:16656856

  20. Microfluidic sieve using intertwined, free-standing carbon nanotube mesh as active medium

    DOEpatents

    Bakajin, Olgica; Noy, Aleksandr

    2007-11-06

    A microfluidic sieve having a substrate with a microfluidic channel, and a carbon nanotube mesh. The carbon nanotube mesh is formed from a plurality of intertwined free-standing carbon nanotubes which are fixedly attached within the channel for separating, concentrating, and/or filtering molecules flowed through the channel. In one embodiment, the microfluidic sieve is fabricated by providing a substrate having a microfluidic channel, and growing the intertwined free-standing carbon nanotubes from within the channel to produce the carbon nanotube mesh attached within the channel.

  1. Topology of classical molecular optimal control landscapes for multi-target objectives

    SciTech Connect

    Joe-Wong, Carlee; Ho, Tak-San; Rabitz, Herschel; Wu, Rebing

    2015-04-21

    This paper considers laser-driven optimal control of an ensemble of non-interacting molecules whose dynamics lie in classical phase space. The molecules evolve independently under control to distinct final states. We consider a control landscape defined in terms of multi-target (MT) molecular states and analyze the landscape as a functional of the control field. The topology of the MT control landscape is assessed through its gradient and Hessian with respect to the control. Under particular assumptions, the MT control landscape is found to be free of traps that could hinder reaching the objective. The Hessian associated with an optimal control field is shown to have finite rank, indicating an inherent degree of robustness to control noise. Both the absence of traps and rank of the Hessian are shown to be analogous to the situation of specifying multiple targets for an ensemble of quantum states. Numerical simulations are presented to illustrate the classical landscape principles and further characterize the system behavior as the control field is optimized.

  2. Azobenzene Modified Imidacloprid Derivatives as Photoswitchable Insecticides: Steering Molecular Activity in a Controllable Manner

    NASA Astrophysics Data System (ADS)

    Xu, Zhiping; Shi, Lina; Jiang, Danping; Cheng, Jiagao; Shao, Xusheng; Li, Zhong

    2015-10-01

    Incorporating the photoisomerizable azobenzene into imidacloprid produced a photoswitchable insecticidal molecule as the first neonicotinoid example of remote control insecticide performance with spatiotemporal resolution. The designed photoswitchable insecticides showed distinguishable activity against Musca both in vivo and in vitro upon irradiation. Molecular docking study further suggested the binding difference of the two photoisomers. The generation of these photomediated insecticides provides novel insight into the insecticidal activity facilitating further investigation on the functions of insect nicotinic acetylcholine receptors and opens a novel way to control and study insect behavior on insecticide poisoning using light.

  3. Nonlinear Raman Techniques in Femtosecond Time Resolved Spectroscopy for the Analysis and Control of Molecular Dynamics

    SciTech Connect

    Materny, Arnulf; Konradi, Jakow; Namboodiri, Vinu; Namboodiri, Mahesh; Scaria, Abraham

    2008-11-14

    The use of four-wave mixing techniques in femtosecond time-resolved spectroscopy has considerable advantages. Due to the many degrees of freedom offered e.g. by coherent anti-Stokes Raman scattering (CARS), the dynamics even of complex systems can be analyzed in detail. Using pulse shaping techniques in combination with a self-learning loop approach, molecular mode excitation can be controlled very efficiently in a multi-photon excitation process. Results obtained from the optimal control of CARS on {beta}-carotene are discussed.

  4. Site-controlled Ag nanocrystals grown by molecular beam epitaxy-Towards plasmonic integration technology

    SciTech Connect

    Urbanczyk, Adam; Noetzel, Richard

    2012-12-15

    We demonstrate site-controlled growth of epitaxial Ag nanocrystals on patterned GaAs substrates by molecular beam epitaxy with high degree of long-range uniformity. The alignment is based on lithographically defined holes in which position controlled InAs quantum dots are grown. The Ag nanocrystals self-align preferentially on top of the InAs quantum dots. No such ordering is observed in the absence of InAs quantum dots, proving that the ordering is strain-driven. The presented technique facilitates the placement of active plasmonic nanostructures at arbitrarily defined positions enabling their integration into complex devices and plasmonic circuits.

  5. Azobenzene Modified Imidacloprid Derivatives as Photoswitchable Insecticides: Steering Molecular Activity in a Controllable Manner

    PubMed Central

    Xu, Zhiping; Shi, Lina; Jiang, Danping; Cheng, Jiagao; Shao, Xusheng; Li, Zhong

    2015-01-01

    Incorporating the photoisomerizable azobenzene into imidacloprid produced a photoswitchable insecticidal molecule as the first neonicotinoid example of remote control insecticide performance with spatiotemporal resolution. The designed photoswitchable insecticides showed distinguishable activity against Musca both in vivo and in vitro upon irradiation. Molecular docking study further suggested the binding difference of the two photoisomers. The generation of these photomediated insecticides provides novel insight into the insecticidal activity facilitating further investigation on the functions of insect nicotinic acetylcholine receptors and opens a novel way to control and study insect behavior on insecticide poisoning using light. PMID:26434681

  6. Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces.

    PubMed

    Jeon, Seokmin; Doak, Peter W; Sumpter, Bobby G; Ganesh, Panchapakesan; Maksymovych, Petro

    2016-08-23

    Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions, and superconducting ground states. In contrast, few of these phenomena have been observed in low-dimensional molecular structures, including thin films, nanoparticles, and molecular blends, not in the least because most of such structures have been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional ionic molecular structures that can capture potential applications. Here, we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctive property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of a 1:1 ratio in the bulk. We propose the existence of the surface phase diagram that controls the structures of TTF-TCNQ on the surfaces and demonstrate phase transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram, and the corresponding phase transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases. PMID:27458890

  7. Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

    DOE PAGESBeta

    Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; Ganesh, Panchapakesan; Maksymovych, Petro

    2016-07-26

    Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

  8. Control of molecular weight of polystyrene using the reverse iodine transfer polymerization (RITP)-emulsion technique.

    PubMed

    Oh, Hyeong Geun; Shin, Hongcheol; Jung, Hyejun; Lee, Byung Hyung; Choe, Soonja

    2011-01-15

    The RITP-emulsion polymerization of styrene in the presence of molecular iodine has been successfully performed using potassium persulfate (KPS) as an initiator and 1-hexadecanesulfonate as an emulsifier under argon atmosphere at 80°C for 7 hrs in the absence of light. The effects of the iodine concentration, molar ratio between KPS and iodine, and solid contents on the molecular weight of polystyrene (PS) were studied. As the iodine concentration increased from 0.05 to 0.504 mmol under the fixed [KPS]/[I(2)] ratio at 4.5, the weight-average molecular weight of PS substantially decreased from 126,120 to 35,690 g/mol, the conversion increased from 85.0% to 95.2%, and the weight-average particle diameter decreased from 159 to 103 nm. In addition, as the ratio of [KPS]/[I(2)] increased from 0.5 to 6.0 at the fixed [I(2)] of 0.504 mmol, the weight-average molecular weight of PS decreased from 72,170 to 30,640 g/mol with high conversion between 81.7% and 96.5%. Moreover, when the styrene solid content increased from 10 to 40 wt.% at the fixed [KPS]/[I(2)] ratio of 4.5, the weight-average molecular weight of PS varied between 33,500 and 37,200 g/mol, the conversion varied between 94.9% and 89.7% and the weight-average diameter varied from 122 to 205 nm. Thus, the control of molecular weight of PS less than 100,000g/mol with high conversion (95%) and particle stability of up to 40 wt.% solid content were easily achieved through the usage of iodine with suitable ratio of [KPS]/[I(2)] in the RITP-emulsion polymerization technique, which is of great industrial importance. PMID:20950818

  9. A parabolic model to control quantum interference in T-shaped molecular junctions.

    PubMed

    Nozaki, Daijiro; Sevinçli, Hâldun; Avdoshenko, Stanislav M; Gutierrez, Rafael; Cuniberti, Gianaurelio

    2013-09-01

    Quantum interference (QI) effects in molecular devices have drawn increasing attention over the past years due to their unique features observed in the conductance spectrum. For the further development of single molecular devices exploiting QI effects, it is of great theoretical and practical interest to develop simple methods controlling the emergence and the positions of QI effects like anti-resonances or Fano line shapes in conductance spectra. In this work, starting from a well-known generic molecular junction with a side group (T-shaped molecule), we propose a simple graphical method to visualize the conditions for the appearance of quantum interference, Fano resonances or anti-resonances, in the conductance spectrum. By introducing a simple graphical representation (parabolic diagram), we can easily visualize the relation between the electronic parameters and the positions of normal resonant peaks and anti-resonant peaks induced by quantum interference in the conductance spectrum. This parabolic model not only can predict the emergence and energetic position of quantum interference from a few electronic parameters but also can enable one to know the coupling between the side group and the main conduction channel from measurements in the case of orthogonal basis. The results obtained within the parabolic model are validated using density-functional based quantum transport calculations in realistic T-shaped molecular junctions. PMID:23558406

  10. The use of poly(2-acrylamido-2-methyl-1-propanesulfonic acid) polymers as spacers for isotachophoresis in sieving gel matrices.

    PubMed

    Bellini, M P; Manchester, K L

    1999-03-01

    The electric field strength gradients generated in isotachophoresis (ITP) may be used for the separation of biomolecules. Poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (polyAMPS) polymers of a uniform distribution of molecular mass were synthesized and used as novel spacers in ITP. Since these polymeric spacers are strongly acidic species, their ionic charges remain constant over a wide pH range, so that their ionic mobilities are governed solely by their molecular masses and not by the pH of the milieu. A modification of ITP known as telescope electrophoresis was used to separate a number of acidic dyes of varying ionic mobility, using polyAMPS polymers as spacers. The resolution obtained was superior to that obtained by polyacrylamide gel electrophoresis (PAGE), due to the focusing effect of the electric field strength gradient. Since these novel polymeric spacers are designed to operate within sieving medium, it was decided to test their suitability for the separation of DNA molecules. DNA molecules up to 1000 bp long were successfully resolved, with a similar resolution to that obtained with conventional PAGE. PMID:10036157

  11. Controlling solubility of pNIPAM in aqueous solutions using hydrophobic and photoresponsive molecular units

    NASA Astrophysics Data System (ADS)

    Singh, Rahul; Deshmukh, Sanket; Sankaranarayanan, Subramanian; Balasubramanian, Ganesh

    2014-03-01

    The structural properties of pNIPAM (poly-N-isopropylacrylamide), which is a thermally sensitive polymer, are investigated by copolymerizing it with molecular units that are either (1) hydrophobic (polystyrene) or (2) photoresponsive (spiropyran-merocyanine pair). We employ molecular dynamics (MD) simulations to examine aqueous solutions of pNIPAM (modified with these molecules) across a temperature range below and above the LCST of pure pNIPAM to understand the fundamental physics underlying the coil-to-globule transition in pNIPAM and the contribution of the attached constituents on the LCST. The LCST can be tuned by copolymerizing pNIPAM with polystyrene (PS), a hydrophobic molecule. We prepare a number of copolymers with different chain lengths of the hydrophobic units (PS) and observe the lowering of the LCST of the modified pNIPAM by computing the radius of gyration and end-to-end distances across the temperature range. Also, the aqueous solubility of pNIPAM can be controlled by functionalizing it with a photoresponsive moiety as this new copolymer exhibits a shifted LCST phase transition. Thus, the temperature sensitive behavior of pNIPAM can be tuned by copolymerizing it with varying molecular lengths of hydrophobic block units or attaching reversibly switchable photoresponsive moieties. Our work demonstrates the controllability of pNIPAM solubility aqueous solutions and recommends strategies to design complex programmable polymers that have wide-ranging applications in several biomedical and industrial processes.

  12. Suppression of Acid Diffusion in Chemical Amplification Resists by Molecular Control of Base Matrix Polymers

    NASA Astrophysics Data System (ADS)

    Yoshimura, Toshiyuki; Shiraishi, Hiroshi; Okazaki, Shinji

    1995-12-01

    Suppression of acid diffusion during post-exposure baking (PEB) of chemical amplification resists is investigated from the standpoint of molecular control of base matrix polymers. Negative-type chemical amplification resists composed of cresol novolak-based matrix polymers, acid-catalyzed crosslinkers of melamine resins, and acid generators of onium salts are prepared. The molecular weight distributions of the base matrix polymers are controlled by means of a precipitation method. The resists are exposed with electron beams in isolated lines to evaluate the acid diffusion characteristics. Dependence of pattern sizes on the PEB time clearly shows that acid diffusion determines the resist pattern sizes based on Fick's law. The diffusion coefficients of resists with base matrix polymers with small polydispersities are smaller than those of resists with base matrix polymers with large polydispersities. Acid diffusion can still be suppressed by applying base matrix polymers with small weight-average molecular weights and small polydispersities. Diffusion coefficients can be further decreased by using base matrix polymers with more p-cresol components. A diffusion mechanism is proposed based on acid diffusion channels composed of active OH-groups and vacancies in the base matrix polymers.

  13. Novel Genetic and Molecular Tools for the Investigation and Control of Dengue Virus Transmission by Mosquitoes.

    PubMed

    Franz, Alexander W E; Clem, Rollie J; Passarelli, A Lorena

    2014-03-01

    Aedes aegypti is the principal vector of dengue virus (DENV) throughout the tropical world. This anthropophilic mosquito species needs to be persistently infected with DENV before it can transmit the virus through its saliva to a new vertebrate host. In the mosquito, DENV is confronted with several innate immune pathways, among which RNA interference is considered the most important. The Ae. aegypti genome project opened the doors for advanced molecular studies on pathogen-vector interactions including genetic manipulation of the vector for basic research and vector control purposes. Thus, Ae. aegypti has become the primary model for studying vector competence for arboviruses at the molecular level. Here, we present recent findings regarding DENV-mosquito interactions, emphasizing how innate immune responses modulate DENV infections in Ae. aegypti. We also describe the latest advancements in genetic manipulation of Ae. aegypti and discuss how this technology can be used to investigate vector transmission of DENV at the molecular level and to control transmission of the virus in the field. PMID:24693489

  14. Coherent molecular transistor: Control through variation of the gate wave function

    SciTech Connect

    Ernzerhof, Matthias

    2014-03-21

    In quantum interference transistors (QUITs), the current through the device is controlled by variation of the gate component of the wave function that interferes with the wave function component joining the source and the sink. Initially, mesoscopic QUITs have been studied and more recently, QUITs at the molecular scale have been proposed and implemented. Typically, in these devices the gate lead is subjected to externally adjustable physical parameters that permit interference control through modifications of the gate wave function. Here, we present an alternative model of a molecular QUIT in which the gate wave function is directly considered as a variable and the transistor operation is discussed in terms of this variable. This implies that we specify the gate current as well as the phase of the gate wave function component and calculate the resulting current through the source-sink channel. Thus, we extend on prior works that focus on the phase of the gate wave function component as a control parameter while having zero or certain discrete values of the current. We address a large class of systems, including finite graphene flakes, and obtain analytic solutions for how the gate wave function controls the transistor.

  15. Effect of barley roller milling on fractionation of flour using sieving and air classification

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Separation of hulls prior to fermentation of barley flour could increase fuel ethanol productivity and the hulls would be an additional coproduct. In a recent study, it was found that the Elusieve process, a combination of sieving and elutriation (air classification) was effective in separating hul...

  16. Separation of fiber from distillers dried grains (DDG) using sieving and elutriation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    We recently developed a new process that combined sieving and elutriation (upward air flow) to separate fiber from distillers dried grains and solubles (DDGS). The current study was designed to evaluate the elusieve process for the first time using distillers dried grains (DDG) instead of DDGS. Be...

  17. Importance of neutralization sieve analyses when seeking correlates of HIV-1 vaccine efficacy

    PubMed Central

    Montefiori, David C

    2014-01-01

    This commentary describes a rationale for the use of breakthrough viruses from clinical trial participants to assess neutralizing antibodies as a correlate of HIV-1 vaccine efficacy. The rationale is based on principles of a genetic sieve analysis, where the 2 analyses may be cooperative for delineating neutralizing antibodies as a mechanistic correlate of protection. PMID:25424964

  18. Alternative sieving method for extraction of light filth from cheeses: collaborative study.

    PubMed

    Nakashima, M J

    1994-01-01

    A collaborative study was conducted on an alternative sieving method for the extraction of light filth from cheeses. The alternative method was developed that is applicable to broad variety of cheeses. A 225 g test portion is dispersed in a solution of 5.7% HCl, Igepal CO-730, and Igepal DM-710. Digested cheese is wet-sieved on a No. 230 sieve. The residue is treated with Tergitol Anionic 4, transferred to 1% sodium lauryl sulfate solution, heated, and maintained at 65 degrees-75 degrees C for 10 min. The residue is washed with these 2 surfactants a maximum of 4 times until it is reduced to an amount that is filterable. The residue is filtered and the filter papers are examined microscopically at a magnification of ca 30x. Average recoveries by 9 collaborators for 3 spike levels of rat hairs (5, 10, and 15) were 80, 68, and 81%, respectively; for insect fragments (5, 15, and 30) recoveries were 97, 90, and 92%, respectively. The alternative sieving method for extraction of light filth from cheeses has been adopted first action by AOAC INTERNATIONAL. PMID:7950417

  19. Peptide aptamer identified by molecular docking targeting translationally controlled tumor protein in leukemia cells.

    PubMed

    Kadioglu, Onat; Efferth, Thomas

    2016-08-01

    Bioinformatics screening and molecular docking analyses were utilized to select high affinity peptides targeting translationally controlled tumor protein (TCTP). Selected peptide aptamers were tested towards cancer cell lines with different levels of TCTP expression. One peptide (WGQWPYHC) revealed specific cytotoxicity according to the TCTP expression in tumor cells without affecting normal cells. Western blot analysis showed peptide-induced down-regulation of TCTP as primary target as well as of cell-cycle related downstream proteins (CDK2, CDK6, Cyclin D3) in MOLT-4 leukemia cells. "WGQWPYHC" deserves further analysis for targeted therapy of TCTP-expressing tumor cells. Graphical abstract Molecular docking on TCTP, cytotoxicity toward MOLT-4 leukemia cell line and downregulation of CDK2, CDK6, CyclinD3 and TCTP proteins. PMID:26972431

  20. Substrate temperature controls molecular orientation in two-component vapor-deposited glasses.

    PubMed

    Jiang, J; Walters, D M; Zhou, D; Ediger, M D

    2016-04-01

    Vapor-deposited glasses can be anisotropic and molecular orientation is important for organic electronics applications. In organic light emitting diodes (OLEDs), for example, the orientation of dye molecules in two-component emitting layers significantly influences emission efficiency. Here we investigate how substrate temperature during vapor deposition influences the orientation of dye molecules in a model two-component system. We determine the average orientation of a linear blue light emitter 1,4-di-[4-(N,N-diphenyl)amino]styryl-benzene (DSA-Ph) in mixtures with aluminum-tris(8-hydroxyquinoline) (Alq3) by spectroscopic ellipsometry and IR dichroism. We find that molecular orientation is controlled by the ratio of the substrate temperature during deposition and the glass transition temperature of the mixture. These findings extend recent results for single component vapor-deposited glasses and suggest that, during vapor deposition, surface mobility allows partial equilibration towards orientations preferred at the free surface of the equilibrium liquid. PMID:26922903

  1. CHIP: a quality-control E3 ligase collaborating with molecular chaperones.

    PubMed

    Murata, Shigeo; Chiba, Tomoki; Tanaka, Keiji

    2003-05-01

    It is notable that both the chaperone and ubiquitin-proteasome systems are required for removal of aberrant cellular proteins to ensure protein homeostasis in cells. However, the entity that links the two systems had remained elusive. Carboxyl-terminus of Hsc70 interacting protein (CHIP), originally identified as a co-chaperone of Hsc70, has both a tetratricopeptide repeat (TPR) motif and a U-box domain. The TPR motif associates with Hsc70 and Hsp90, while the U-box domain executes a ubiquitin ligase activity. Thus, CHIP is an ideal molecule acting as a protein quality-control ubiquitin ligase that selectively leads abnormal proteins recognized by molecular chaperones to degradation by the proteasome. Accumulating evidence from in vitro studies indicates that this is apparently the case. Here, we present and discuss several unresolved but critical issues related to the molecular mechanism and in vivo roles of CHIP. PMID:12672450

  2. Coherent Control of Molecular Torsion and the Active-space Decomposition Method

    NASA Astrophysics Data System (ADS)

    Parker, Shane Matthew

    This dissertation discusses schemes and applications for the strong-field control of molecular torsions as well as introduces the active-space decomposition method. In the first part, a route to realize general control over the torsional motions of a class of biaryl compounds is proposed. Torsion in biaryl compounds--molecules with two aromatic moieties connected by a bond about which the barrier to rotation is small--mediates the electronic coupling between the two rings in the molecule. Thus, by controlling the torsion angle, one also controls the electron transfer and transport rates, the absorption and emission spectra, and the molecule's chirality. In our scheme, a non-resonant half-cycle pulse interacts with the permanent dipole of only one moiety of the pre-oriented biaryl compound. In the non-adiabatic regime, coherent motion is initiated by the half-cycle pulse. In the adiabatic regime, the torsion angle is tuned by the pulse. By properly choosing the parameters and polarization of the half-cycle pulse, we show that free internal rotation can be started or that the molecular chirality can be inverted. Then, with the aid of optimal control theory, we design "deracemizing" control pulses, i.e., control pulses that convert a racemic mixture into an enantiopure mixture. Finally, we explore the potential for this type of control in a single-molecule pulling experiment. In the second part, we describe the active space decomposition method for computing excited states of molecular dimers. In this method, the dimer's wavefunction is expressed as a linear combination of direct products of orthogonal localized monomer states. The adiabatic dimer states are found by diagonalizing the Hamiltonian in this direct product space. Matrix elements between direct product states are computed directly, without ever explicitly forming the dimer wavefunction, thus enabling calculations of dimers with active space sizes that would be otherwise impossible. The decomposed

  3. The mammalian molecular clockwork controls rhythmic expression of its own input pathway components.

    PubMed

    Pfeffer, Martina; Müller, Christian M; Mordel, Jérôme; Meissl, Hilmar; Ansari, Nariman; Deller, Thomas; Korf, Horst-Werner; von Gall, Charlotte

    2009-05-13

    The core molecular clockwork in the suprachiasmatic nucleus (SCN) is based on autoregulatory feedback loops of transcriptional activators (CLOCK/NPAS2 and BMAL1) and inhibitors (mPER1-2 and mCRY1-2). To synchronize the phase of the molecular clockwork to the environmental day and night condition, light at dusk and dawn increases mPer expression. However, the signal transduction pathways differ remarkably between the day/night and the night/day transition. Light during early night leads to intracellular Ca(2+) release by neuronal ryanodine receptors (RyRs), resulting in phase delays. Light during late night triggers an increase in guanylyl cyclase activity, resulting in phase advances. To date, it is still unknown how the core molecular clockwork regulates the availability of the respective input pathway components. Therefore, we examined light resetting mechanisms in mice with an impaired molecular clockwork (BMAL1(-/-)) and the corresponding wild type (BMAL1(+/+)) using in situ hybridization, real-time PCR, immunohistochemistry, and a luciferase reporter system. In addition, intracellular calcium concentrations (Ca(2+)(i)) were measured in SCN slices using two-photon microscopy. In the SCN of BMAL1(-/-) mice Ryr mRNA and RyR protein levels were reduced, and light-induced mPer expression was selectively impaired during early night. Transcription assays with NIH3T3 fibroblasts showed that Ryr expression was activated by CLOCK::BMAL1 and inhibited by mCRY1. The Ca(2+)(i) response of SCN cells to the RyR agonist caffeine was reduced in BMAL1(-/-) compared with BMAL1(+/+) mice. Our findings provide the first evidence that the mammalian molecular clockwork influences Ryr expression and thus controls its own photic input pathway components. PMID:19439589

  4. Photochromic Spatiotemporal Control of Bubble-Propelled Micromotors by a Spiropyran Molecular Switch.

    PubMed

    Moo, James Guo Sheng; Presolski, Stanislav; Pumera, Martin

    2016-03-22

    Controlling the environment in which bubble-propelled micromotors operate represents an attractive strategy to influence their motion, especially when the trigger is as simple as light. We demonstrate that spiropyrans, which isomerize to amphiphilic merocyanines under UV irradiation, can act as molecular switches that drastically affect the locomotion of the micrometer-sized engines. The phototrigger could be either a point or a field source, thus allowing different modes of control to be executed. A whole ensemble of micromotors was repeatedly activated and deactivated by just altering the spiropyran-merocyanine ratio with light. Moreover, the velocity of individual micromotors was altered using a point irradiation source that caused only localized changes in the environment. Such selective manipulation, achieved here with an optical microscope and a photochromic additive in the medium, reveals the ease of the methodology, which can allow micro- and nanomotors to reach their full potential of not just stochastic, but directional controlled motion. PMID:26919161

  5. Structure-Property Relationships of Inorganically Surface-Modified Zeolite Molecular Sieves for Nanocomposite Membrane Fabrication

    SciTech Connect

    Lydon, Megan E; Unocic, Kinga A; Jones, Christopher W; Nair, Sankar

    2012-01-01

    A multiscale experimental study of the structural, compositional, and morphological characteristics of aluminosilicate (LTA) and pure-silica (MFI) zeolite materials surface-modified with MgO{sub x}H{sub y} nanostructures is presented. These characteristics are correlated with the suitability of such materials in the fabrication of LTA/Matrimid mixed-matrix membranes (MMMs) for CO{sub 2}/CH{sub 4} separations. The four functionalization methods studied in this work produce surface nanostructures that may appear superficially similar under SEM observation but in fact differ considerably in shape, size, surface coverage, surface area/roughness, degree of attachment to the zeolite surface, and degree of zeolite pore blocking. The evaluation of these characteristics by a combination of TEM, HRTEM, N{sub 2} physisorption, multiscale compositional analysis (XPS, EDX, and ICP-AES elemental analysis), and diffraction (ED and XRD) allows improved understanding of the origin of disparate gas permeation properties observed in MMMs made with four types of surface-modified zeolite LTA materials, as well as a rational selection of the method expected to result in the best enhancement of the desired properties (in the present case, CO{sub 2}/CH{sub 4} selectivity increase without sacrificing permeability). A method based on ion exchange of the LTA with Mg{sup 2+}, followed by base-induced precipitation and growth of MgOxHy nanostructures, deemed 'ion exchange functionalization' here, offers modified particles with the best overall characteristics resulting in the most effective MMMs. LTA/Matrimid MMMs containing ion exchange functionalized particles had a considerably higher CO{sub 2}/CH{sub 4} selectivity (40) than could be obtained with the other functionalization techniques (30), while maintaining a CO{sub 2} permeability of 10 barrers. A parallel study on pure silica MFI surface nanostructures is also presented to compare and contrast with the zeolite LTA case.

  6. Reduction of nitrogen oxides with catalytic acid resistant aluminosilicate molecular sieves and ammonia

    DOEpatents

    Pence, Dallas T.; Thomas, Thomas R.

    1980-01-01

    Noxious nitrogen oxides in a waste gas stream such as the stack gas from a fossil-fuel-fired power generation plant or other industrial plant off-gas stream is catalytically reduced to elemental nitrogen and/or innocuous nitrogen oxides employing ammonia as reductant in the presence of a zeolite catalyst in the hydrogen or sodium form having pore openings of about 3 to 10 A.

  7. Novel insights into RNP granules by employing the trypanosome's microtubule skeleton as a molecular sieve

    PubMed Central

    Fritz, Melanie; Vanselow, Jens; Sauer, Nadja; Lamer, Stephanie; Goos, Carina; Siegel, T. Nicolai; Subota, Ines; Schlosser, Andreas; Carrington, Mark; Kramer, Susanne

    2015-01-01

    RNP granules are ribonucleoprotein assemblies that regulate the post-transcriptional fate of mRNAs in all eukaryotes. Their exact function remains poorly understood, one reason for this is that RNP granule purification has not yet been achieved. We have exploited a unique feature of trypanosomes to prepare a cellular fraction highly enriched in starvation stress granules. First, granules remain trapped within the cage-like, subpellicular microtubule array of the trypanosome cytoskeleton while soluble proteins are washed away. Second, the microtubules are depolymerized and the granules are released. RNA sequencing combined with single molecule mRNA FISH identified the short and highly abundant mRNAs encoding ribosomal mRNAs as being excluded from granules. By mass spectrometry we have identified 463 stress granule candidate proteins. For 17/49 proteins tested by eYFP tagging we have confirmed the localization to granules, including one phosphatase, one methyltransferase and two proteins with a function in trypanosome life-cycle regulation. The novel method presented here enables the unbiased identification of novel RNP granule components, paving the way towards an understanding of RNP granule function. PMID:26187993

  8. Novel insights into RNP granules by employing the trypanosome's microtubule skeleton as a molecular sieve.

    PubMed

    Fritz, Melanie; Vanselow, Jens; Sauer, Nadja; Lamer, Stephanie; Goos, Carina; Siegel, T Nicolai; Subota, Ines; Schlosser, Andreas; Carrington, Mark; Kramer, Susanne

    2015-09-18

    RNP granules are ribonucleoprotein assemblies that regulate the post-transcriptional fate of mRNAs in all eukaryotes. Their exact function remains poorly understood, one reason for this is that RNP granule purification has not yet been achieved. We have exploited a unique feature of trypanosomes to prepare a cellular fraction highly enriched in starvation stress granules. First, granules remain trapped within the cage-like, subpellicular microtubule array of the trypanosome cytoskeleton while soluble proteins are washed away. Second, the microtubules are depolymerized and the granules are released. RNA sequencing combined with single molecule mRNA FISH identified the short and highly abundant mRNAs encoding ribosomal mRNAs as being excluded from granules. By mass spectrometry we have identified 463 stress granule candidate proteins. For 17/49 proteins tested by eYFP tagging we have confirmed the localization to granules, including one phosphatase, one methyltransferase and two proteins with a function in trypanosome life-cycle regulation. The novel method presented here enables the unbiased identification of novel RNP granule components, paving the way towards an understanding of RNP granule function. PMID:26187993

  9. Microwave-assisted fast vapor-phase transport synthesis of MnAPO-5 molecular sieves

    SciTech Connect

    Shao Hui; Yao Jianfeng; Ke Xuebin; Zhang Lixiong Xu Nanping

    2009-04-02

    MnAPO-5 was prepared by a microwave-assisted vapor-phase transport method at 180 deg. C in short times. The products were characterized by X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectra, UV-vis spectroscopic measurement, NH{sub 3}-temperature-programmed desorption and esterification reaction. It was found that dry gels prepared with aluminum isopropoxide, phosphoric acid and manganese acetate could be transferred to MnAPO-5 in the vapors of triethylamine and water by the microwave-assisted vapor-phase transport method at 180 deg. C for less than 30 min. The crystallization time was greatly reduced by the microwave heating compared with the conventional heating. The resulting MnAPO-5 exhibited much smaller particle sizes, higher surface areas and slightly higher catalytic activity in the esterification of acetic acid and butyl alcohol than those prepared by the conventional vapor-phase transport method and hydrothermal synthesis.

  10. Catalytic properties of molecular sieves MCM41 type doped with heteropolyacids for ethanol oxidation

    NASA Astrophysics Data System (ADS)

    Popa, A.; Sasca, V.; Halasz, J.

    2008-12-01

    Keggin type heteropolyacids (HPAs) have been used in acid-catalysed reactions as well as oxidation reactions both in the heterogeneous and homogeneous systems. In order to be more effective for catalytic reactions, HPAs are usually impregnated on different porous materials with high surface area. The structure and texture of H 3PMo 12O 40 and H 4PVMo 11O 40 supported on Al-MCM41 and Fe-MCM41 were studied by XRD, low-temperature nitrogen adsorption and thermal analysis. Catalytic properties of prepared samples were studied by using a reactant pulse method at different temperatures. The ethanol conversion proceeds by two main pathways: an oxidehydrogenation reaction on redox catalytic centers, and a dehydration reaction on acidic centers, respectively. The favourable effect of HPAs deposition on Al-MCM41 and Fe-MCM41 supports for oxidehydrogenation pathway to acetaldehyde results from the examination of apparent activation energies Ea and reaction rate values. An evidenced decreasing of Ea was obtained for acetaldehyde formation in the case of Fe-MCM41-supported HPM (25 kJ/mole) comparatively with pure HPM (56.6 kJ/mole). For all reaction temperatures, the reaction rates of acetaldehyde formation are with one order of magnitude higher for supported samples than unsupported ones.

  11. Synthesis of highly stable metal-containing extra-large-pore molecular sieves.

    PubMed

    Martínez-Franco, Raquel; Paris, Cecilia; Moliner, Manuel; Corma, Avelino

    2016-02-28

    The isomorphic substitution of two different metals (Mg and Co) within the framework of the ITQ-51 zeotype (IFO structure) using bulky aromatic proton sponges as organic structure-directing agents (OSDAs) has allowed the synthesis of different stable metal-containing extra-large-pore zeotypes with high pore accessibility and acidity. These metal-containing extra-large-pore zeolites, named MgITQ-51 and CoITQ-51, have been characterized by different techniques, such as powder X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectrometry, UV-Vis spectroscopy, temperature programmed desorption of ammonia and Fourier transform infrared spectroscopy, to study their physico-chemical properties. The characterization confirms the preferential insertion of Mg and Co atoms within the crystalline structure of the ITQ-51 zeotype, providing high Brønsted acidity, and allowing their use as efficient heterogeneous acid catalysts in industrially relevant reactions involving bulky organic molecules. PMID:26755759

  12. Synthesis and application of different phthalocyanine molecular sieve catalyst for oxidative desulfurization

    NASA Astrophysics Data System (ADS)

    Zhao, Na; Li, Siwen; Wang, Jinyi; Zhang, Ronglan; Gao, Ruimin; Zhao, Jianshe; Wang, Junlong

    2015-05-01

    M2(PcAN)2 (M=Fe, Co, Ni, Cu, Zn and Mn) anchored onto W-HZSM-5 (M2(PcAN)2-W-HZSM-5) or the M2(PcTN)2 doping W-HZSM-5 (M2(PcTN)2/W-HZSM-5) were prepared and their catalytic performances were tested for oxidative desulfurization in the presence of oxygen. Thiophene (T), benzothiophene (BT), and dibenzothiophene (DBT) were considered as sulfur compounds. Among zeolite-based catalysts, the Cu2(PcAN)2-W-HZSM-5 and Cu2(PcTN)2/W-HZSM-5 showed superior desulfurization performance and the activity of selectivity followed the order: T>BT>DBT. The effects of phthalocyanine concentration were studied by UV-Vis and calcination temperature was obtained by TG-DSC for Cu2(PcTN)2/W-HZSM-5. Catalysts were characterized by EA, IR, XRD, SEM, TEM, ICP, and N2 adsorption. Reaction time, temperature and the amount of catalyst were investigated as the important parameters for optimization of the reaction. Furthermore, a possible process of oxidative desulfurization and the reaction products were proposed.

  13. Preparation, characterization, and catalytic performance of Ta-HMS mesoporous molecular sieve

    NASA Astrophysics Data System (ADS)

    Li, Xuefeng; Zhang, Like; Gao, Huanxin; Chen, Qingling

    2016-08-01

    Various Ta-HMS (hexagonal mesoporous silica) samples with different Ta content were hydrothermally prepared and characterized by XRD, N2-adsorption, ICP-AES, FTIR, and UV-Vis spectroscopy. The catalytic performance of the samples was also evaluated in the epoxidation of cyclohexene with cumene hydroperoxide as oxidant. The regularity of mesoporous structure decreases while more extraframe Ta ions are formed with increasing the Ta content. Ta-HMS with Ta/Si ratio of 0.015 shows the highest conversion and selectivity in the studied epoxidation reaction. The catalyst can be used for three times without significant activity loss.

  14. Textural and structural properties and surface acidity characterization of mesoporous silica-zirconia molecular sieves

    NASA Astrophysics Data System (ADS)

    Rodríguez-Castellón, E.; Jiménez-López, A.; Maireles-Torres, P.; Jones, D. J.; Rozière, J.; Trombetta, M.; Busca, G.; Lenarda, M.; Storaro, L.

    2003-11-01

    Homogeneous mesoporous zirconium-containing MCM-41 type silica were prepared by supramolecular templating and their textural and structural properties were studied using powder X-ray diffraction, N 2 porosimetry, atomic force microscopy, EXAFS, XPS, and UV-VIS-NIR diffuse reflectance spectroscopy. Their acid properties were also studied by using IR spectroscopy and by the use of catalytic tests such as the decomposition of isopropanol and the isomerization of 1-butene. The materials prepared show a good degree of crystallinity with a regular ordering of the pores into a hexagonal arrangement and high thermal stability. The specific surface area of the prepared materials decreases as the zirconium content rises. Zirconium atoms are in coordination 7 to 8 and located at the surface of the pores such that a high proportion of the oxygen atoms bonded to zirconium corresponds to surface non-condensed oxygen atoms. Both facts are responsible for the acid properties of the solids that show weak Brønsted and medium strong Lewis acidity.

  15. Optimization of Manganese Reduction in Biotreated POME onto 3A Molecular Sieve and Clinoptilolite Zeolites.

    PubMed

    Jami, Mohammed S; Rosli, Nurul-Shafiqah; Amosa, Mutiu K

    2016-06-01

    Availability of quality-certified water is pertinent to the production of food and pharmaceutical products. Adverse effects of manganese content of water on the corrosion of vessels and reactors necessitate that process water is scrutinized for allowable concentration levels before being applied in the production processes. In this research, optimization of the adsorption process conditions germane to the removal of manganese from biotreated palm oil mill effluent (BPOME) using zeolite 3A subsequent to a comparative adsorption with clinoptilolite was studied. A face-centered central composite design (FCCCD) of the response surface methodology (RSM) was adopted for the study. Analysis of variance (ANOVA) for response surface quadratic model revealed that the model was significant with dosage and agitation speed connoting the main significant process factors for the optimization. R(2) of 0.9478 yielded by the model was in agreement with predicted R(2). Langmuir and pseudo-second-order suggest the adsorption mechanism involved monolayer adsorption and cation exchanging. PMID:26556067

  16. Molecular sieve adsorbents and membranes for applications in the production of renewable fuels and chemicals

    NASA Astrophysics Data System (ADS)

    Ranjan, Rajiv

    Metal organic frameworks (MOF), a new class of porous materials, have emerged as promising candidate for gas storage, separation membrane and chemical sensors. We used secondary growth method to grow microporous metal organic framework (MMOF) films on porous alumina supports. Examination of the film using SEM and XRD showed that the crystals were well inter-grown and preferentially oriented. Gas permeation study showed that membranes were defect free and moderate selectivity was achieved for H2/N2 gas pairs. The next project had to do with ethanol production from lignocellulosic biomass as an alternate energy source. However, toxic inhibitors produced from the hydrolysis of biomass decrease ethanol yield during the fermentation process. We demonstrated the use of zeolites for the pretreatment of hydrolyzate in order to remove inhibitors like 5-Hydroxymethylfurfuraldehyde (HMF) and furfural from aqueous solution. Zeolites exhibit preferential adsorption of the inhibitors and in effect improve the ethanol yield during fermentation. Ideal Adsorbed Solution Theory (IAST) was also used to predict adsorption isotherms for HMF-furfural mixtures using single component adsorption data. We also studied production of HMF, a potential substitute as a building block for plastic and chemical production, from renewable biomass resources. Catalytic dehydration of fructose for HMF production faces problems like low conversion and yield. Dimethyl sulfoxide (DMSO) can be used as the solvent as well as the catalyst resulting in high HMF yield. We studied a reaction-separation system for this dehydration reaction where the product (HMF) could be recovered by selective adsorption on solid adsorbents from the reaction mixture.

  17. Catalytic cracking of HDPE wastes to liquid fuel in the presence of siliceous mesoporous molecular sieves

    NASA Astrophysics Data System (ADS)

    Ramli, Anita; Majid, Noor Diana Abdul; Yusup, Suzana

    2014-10-01

    A siliceous gel was synthesized at 80°C and aged for 5 days at 120°C before it was dried at 120°C for 16 hours and calcined at 500 and 700°C. The calcined Na-Si-MMS samples were then undergone ion exchange with ammonia solution to form NH4- Si - MMS . All samples were characterized for their physicochemical properties using nitrogen (N2) adsorption-desorption isotherm for surface area and porosity; and temperature programme desorption of ammonia (TPD-NH3) for determination of acidity. The catalytic activity of all samples was tested in pyrolysis of high density polyethylene (HDPE) waste at catalyst to HDPE ratio of 0.2. The organic liquid product (OLP) collected was analysed using gas chromatography (GC). Results show that presence of Na-Si-MMS calcined at 500°C promotes the formation of gasoline-like product while presence of Na-Si-MMS calcined at 700°C promotes the formation of both diesel-like and kerosene-like products. On the other hand, presence of all NH4-Si-MMS catalysts promotes the formation of gasoline-like product. These show that the activation process of Si-MMS has a significant effect on the production of fuel-like product from pyrolysis of HDPE.

  18. LOW TEMPERATURE VOC COMBUSTION OVER MANGANESE, COBALT AND ZINC ALPO4 MOLECULAR SIEVES

    SciTech Connect

    Rosemarie Szostak

    2003-03-06

    The objective of this project was to prepare microporous aluminophosphates containing magnesium, manganese, cobalt and zinc (MeAPOs) and to evaluate their performance as oxidation catalysts for the removal of low levels of volatile organic compounds (VOCs) from gas streams. The tasks to be accomplished were as follows: (1) To develop reliable synthesis methods for metal aluminophosphates containing manganese, cobalt and zinc in their framework; (2) To characterize these materials for crystallinity, phase purity, the location and nature of the incorporated metal in the framework; and (3) To evaluate the materials for their catalytic activities in the oxidation of volatile organic environmental pollutants.

  19. Synthesis and application of different phthalocyanine molecular sieve catalyst for oxidative desulfurization

    SciTech Connect

    Zhao, Na; Li, Siwen; Wang, Jinyi; Zhang, Ronglan; Gao, Ruimin; Zhao, Jianshe; Wang, Junlong

    2015-05-15

    M{sub 2}(PcAN){sub 2} (M=Fe, Co, Ni, Cu, Zn and Mn) anchored onto W-HZSM-5 (M{sub 2}(PcAN){sub 2}–W-HZSM-5) or the M{sub 2}(PcTN){sub 2} doping W-HZSM-5 (M{sub 2}(PcTN){sub 2}/W-HZSM-5) were prepared and their catalytic performances were tested for oxidative desulfurization in the presence of oxygen. Thiophene (T), benzothiophene (BT), and dibenzothiophene (DBT) were considered as sulfur compounds. Among zeolite-based catalysts, the Cu{sub 2}(PcAN){sub 2}–W-HZSM-5 and Cu{sub 2}(PcTN){sub 2}/W-HZSM-5 showed superior desulfurization performance and the activity of selectivity followed the order: T>BT>DBT. The effects of phthalocyanine concentration were studied by UV–Vis and calcination temperature was obtained by TG-DSC for Cu{sub 2}(PcTN){sub 2}/W-HZSM-5. Catalysts were characterized by EA, IR, XRD, SEM, TEM, ICP, and N{sub 2} adsorption. Reaction time, temperature and the amount of catalyst were investigated as the important parameters for optimization of the reaction. Furthermore, a possible process of oxidative desulfurization and the reaction products were proposed. - Graphical abstract: The ODS reaction schematic shows the reaction mechanism of ultra-deep desulfurization. The sulfur compounds are oxidized to their corresponding sulfoxides or sulfones through the use of oxygen and catalysts. The reaction process of ultra-deep desulfurization. - Highlights: • A kind of novel catalyst for deep desulfurization was synthesized. • Cu{sub 2}(PcAN){sub 2}–W-HZSM-5 exhibits excellent catalytic performance for desulfurization. • The reaction conditions that affect desulfurization efficiency are investigated. • The reaction process of model sulfur compounds is proposed.

  20. Structural charge transfer in the aluminophosphate molecular sieves by diffuse reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    Zanjanchi, M. A.; Rashidi, M. K.

    1999-05-01

    Influence of water adsorption in AlPO-5, SAPO-5, AlPO-11 and SAPO-11 has been studied with UV diffuse reflectance spectroscopy. The observed UV absorption spectra in the as-synthesized, template free and hydrated materials are related to the charge transfer processes between aluminum and oxygen atoms of the aluminophosphate and water molecules. As-synthesised materials show two distinct and well-defined bands at about 220 and 260-280 nm correlated to framework aluminum and organic templates, respectively. Upon calcination, the band of occluded template disappears and the band assigned to the framework aluminum shifts at about 240 nm. When the calcined samples are completely hydrated, broadening of the aluminum charge transfer band is observed. This is due to coordination of water molecules to the part of the framework aluminum. Broadening occurs more in AlPO-5 possibly because of higher water capacity and homogenity with respect to SAPO-5.

  1. IR spectroscopic study of hydroxyl groups of molecular sieves in the fundamental and combination tone regions

    NASA Astrophysics Data System (ADS)

    Löffler, E.; Zscherpel, U.; Peuker, Ch.; Staudte, B.

    1993-03-01

    The fundamental and combination vibrations of hydroxyl groups in zeolites (Y, ZSM-5) and silicoaluminophosphates (SAPO-5, -17, -34) are investigated. The influence of adsorbed molecules (C 6F 6, n-hexane) on the combination vibrations is also studied. Finally, remarks on quantitative evaluation of DRIFT spectra of NaHZSM-5 containing different amounts of bridging OH groups are given.

  2. Molecular Control of Atypical Protein Kinase C: Tipping the Balance between Self-Renewal and Differentiation.

    PubMed

    Drummond, Michael L; Prehoda, Kenneth E

    2016-04-10

    Complex organisms are faced with the challenge of generating and maintaining diverse cell types, ranging from simple epithelia to neurons and motile immune cells [1-3]. To meet this challenge, a complex set of regulatory pathways controls nearly every aspect of cell growth and function, including genetic and epigenetic programming, cytoskeleton dynamics, and protein trafficking. The far reach of cell fate specification pathways makes it particularly catastrophic when they malfunction, both during development and for tissue homeostasis in adult organisms. Furthermore, the therapeutic promise of stem cells derives from their ability to deftly navigate the multitude of pathways that control cell fate [4]. How the molecular components making up these pathways function to specify cell fate is beginning to become clear. Work from diverse systems suggests that the atypical Protein Kinase C (aPKC) is a key regulator of cell fate decisions in metazoans [5-7]. Here, we examine some of the diverse physiological outcomes of aPKC's function in differentiation, along with the molecular pathways that control aPKC and those that are responsive to changes in its catalytic activity. PMID:26992354

  3. A light-controlled molecular brake with complete ON-OFF rotation.

    PubMed

    Basheer, Meethale C; Oka, Yoshimi; Mathews, Manoj; Tamaoki, Nobuyuki

    2010-03-15

    A light-controlled molecular machine based on cyclic azobenzenophanes consisting of a dioxynaphthalene rotating unit and a photoisomerizable dioxyazobenzene unit bridged by methylene spacers is reported. In compounds 1 and 2, 1,5- and 2,6-dioxynaphthalene moieties, respectively, are linked to p-dioxyazobenzene by different methylene spacers (n=2 in 1a and 2; n=3 in 1b), whereas a 1,5-dioxynaphthalene moiety is bonded to m-dioxyazobenzene by bismethylene spacers in 3. In 1b and 2, the naphthalene ring can rotate freely in both the trans and cis states at room temperature. The rotation speed can be controlled either by photoinduced reversible trans-cis (E-Z) isomerization of the azobenzene or by keeping the system at low temperature, as is evident from its NMR spectra. Furthermore, for the first time, we demonstrate a light-controlled molecular brake, wherein the rotation of the naphthalene moiety through the cyclophane is completely OFF in the trans isomer of compound 3 due to its smaller cavity size. Such restricted rotation imparts planar chirality to the molecule, and the corresponding enantiomers could be resolved by chiral HPLC. However, the rotation of the naphthalene moiety is rendered ON in the cis isomer due to its increased cavity size, and it is manifested experimentally by the racemization of the separated enantiomers by photoinduced E-Z isomerization. PMID:20140918

  4. Molecular chaperones and regulation of tau quality control: strategies for drug discovery in tauopathies

    PubMed Central

    Miyata, Yoshinari; Koren, John; Kiray, Janine; Dickey, Chad A; Gestwicki, Jason E

    2011-01-01

    Tau is a microtubule-associated protein that accumulates in at least 15 different neurodegenerative disorders, which are collectively referred to as tauopathies. In these diseases, tau is often hyperphosphorylated and found in aggregates, including paired helical filaments, neurofibrillary tangles and other abnormal oligomers. Tau aggregates are associated with neuron loss and cognitive decline, which suggests that this protein can somehow evade normal quality control allowing it to aberrantly accumulate and become proteotoxic. Consistent with this idea, recent studies have shown that molecular chaperones, such as heat shock protein 70 and heat shock protein 90, counteract tau accumulation and neurodegeneration in disease models. These molecular chaperones are major components of the protein quality control systems and they are specifically involved in the decision to retain or degrade many proteins, including tau and its modified variants. Thus, one potential way to treat tauopathies might be to either accelerate interactions of abnormal tau with these quality control factors or tip the balance of triage towards tau degradation. In this review, we summarize recent findings and suggest models for therapeutic intervention. PMID:21882945

  5. Controlling Internal Organization of Multilayer Poly(methacrylic acid) Hydrogels with Polymer Molecular Weight

    DOE PAGESBeta

    Kozlovskaya, Veronika; Zavgorodnya, Oleksandra; Ankner, John F.; Kharlampieva, Eugenia

    2015-11-16

    Here, we report on tailoring the internal architecture of multilayer-derived poly(methacrylic acid) (PMAA) hydrogels by controlling the molecular weight of poly(N-vinylpyrrolidone) (PVPON) in hydrogen-bonded (PMAA/PVPON) layer-by-layer precursor films. The hydrogels are produced by cross-linking PMAA in the spin-assisted multilayers followed by PVPON release. We found that the thickness, morphology, and architecture of hydrogen-bonded films and the corresponding hydrogels are significantly affected by PVPON chain length. For all systems, an increase in PVPON molecular weight from Mw = 2.5 to 1300 kDa resulted in increased total film thickness. We also show that increasing polymer Mw smooths the hydrogen-bonded film surfaces butmore » roughens those of the hydrogels. Using deuterated dPMAA marker layers in neutron reflectometry measurements, we found that hydrogen-bonded films reveal a high degree of stratification which is preserved in the cross-linked films. We observed dPMAA to be distributed more widely in the hydrogen-bonded films prepared with small Mw PVPON due to the greater mobility of short-chain PVPON. Furthermore, these variations in the distribution of PMAA are erased after cross-linking, resulting in a distribution of dPMAA over about two bilayers for all Mw but being somewhat more widely distributed in the films templated with higher Mw PVPON. Finally, our results yield new insights into controlling the organization of nanostructured polymer networks using polymer molecular weight and open opportunities for fabrication of thin films with well-organized architecture and controllable function.« less

  6. Controlling Internal Organization of Multilayer Poly(methacrylic acid) Hydrogels with Polymer Molecular Weight

    SciTech Connect

    Kozlovskaya, Veronika; Zavgorodnya, Oleksandra; Ankner, John F.; Kharlampieva, Eugenia

    2015-11-16

    Here, we report on tailoring the internal architecture of multilayer-derived poly(methacrylic acid) (PMAA) hydrogels by controlling the molecular weight of poly(N-vinylpyrrolidone) (PVPON) in hydrogen-bonded (PMAA/PVPON) layer-by-layer precursor films. The hydrogels are produced by cross-linking PMAA in the spin-assisted multilayers followed by PVPON release. We found that the thickness, morphology, and architecture of hydrogen-bonded films and the corresponding hydrogels are significantly affected by PVPON chain length. For all systems, an increase in PVPON molecular weight from Mw = 2.5 to 1300 kDa resulted in increased total film thickness. We also show that increasing polymer Mw smooths the hydrogen-bonded film surfaces but roughens those of the hydrogels. Using deuterated dPMAA marker layers in neutron reflectometry measurements, we found that hydrogen-bonded films reveal a high degree of stratification which is preserved in the cross-linked films. We observed dPMAA to be distributed more widely in the hydrogen-bonded films prepared with small Mw PVPON due to the greater mobility of short-chain PVPON. Furthermore, these variations in the distribution of PMAA are erased after cross-linking, resulting in a distribution of dPMAA over about two bilayers for all Mw but being somewhat more widely distributed in the films templated with higher Mw PVPON. Finally, our results yield new insights into controlling the organization of nanostructured polymer networks using polymer molecular weight and open opportunities for fabrication of thin films with well-organized architecture and controllable function.

  7. Coherent control of the optical nonlinear and luminescence anisotropies in molecular thin films by multiphoton excitations.

    PubMed

    Bidault, Sébastien; Brasselet, Sophie; Zyss, Joseph

    2004-06-01

    Photoinduced orientational distributions are implemented with one- and two-photon absorption interference in polymer films containing chromophores that exhibit luminescent and nonlinear properties. The odd- and even-order parameters of the final distribution are probed by simultaneous measurement of second-harmonic generation (SHG) and two-photon fluorescence (TPF). We show the possibility of engineering local SHG and TPF anisotropies by controlling the polarization states and intensities of the writing optical fields. Complex multipolar orders are modeled with an irreducible spherical tensor-based formalism jointly applied to the molecular polarizabilities and field tensors. PMID:15214309

  8. The aryl hydrocarbon receptor: a molecular pathway for the environmental control of the immune response.

    PubMed

    Quintana, Francisco J

    2013-03-01

    Environmental factors have significant effects on the development of autoimmune diseases. The ligand-activated transcription factor aryl hydrocarbon receptor (AHR) is controlled by endogenous and environmental small molecules. Hence, AHR provides a molecular pathway by which endogenous and environmental signals can influence the immune response and the development of autoimmune diseases. AHR also provides a target for therapeutic intervention in immune-mediated disorders. In this review, we discuss the role of AHR in the regulation of T-cell differentiation and autoimmunity. PMID:23190340

  9. Quality of epitaxial InAs nanowires controlled by catalyst size in molecular beam epitaxy

    SciTech Connect

    Zhang, Zhi; Xu, Hong-Yi; Guo, Ya-Nan; Liao, Zhi-Ming; Lu, Zhen-Yu; Chen, Ping-Ping; Shi, Sui-Xing; Lu, Wei; Zou, Jin

    2013-08-12

    In this study, the structural quality of Au-catalyzed InAs nanowires grown by molecular beam epitaxy is investigated. Through detailed electron microscopy characterizations and analysis of binary Au-In phase diagram, it is found that defect-free InAs nanowires can be induced by smaller catalysts with a high In concentration, while comparatively larger catalysts containing less In induce defected InAs nanowires. This study indicates that the structural quality of InAs nanowires can be controlled by the size of Au catalysts when other growth conditions remain as constants.

  10. Quality of epitaxial InAs nanowires controlled by catalyst size in molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Zhang, Zhi; Lu, Zhen-Yu; Chen, Ping-Ping; Xu, Hong-Yi; Guo, Ya-Nan; Liao, Zhi-Ming; Shi, Sui-Xing; Lu, Wei; Zou, Jin

    2013-08-01

    In this study, the structural quality of Au-catalyzed InAs nanowires grown by molecular beam epitaxy is investigated. Through detailed electron microscopy characterizations and analysis of binary Au-In phase diagram, it is found that defect-free InAs nanowires can be induced by smaller catalysts with a high In concentration, while comparatively larger catalysts containing less In induce defected InAs nanowires. This study indicates that the structural quality of InAs nanowires can be controlled by the size of Au catalysts when other growth conditions remain as constants.

  11. Case-control comparison of bacterial and protozoan microorganisms associated with gastroenteritis: application of molecular detection.

    PubMed

    Bruijnesteijn van Coppenraet, L E S; Dullaert-de Boer, M; Ruijs, G J H M; van der Reijden, W A; van der Zanden, A G M; Weel, J F L; Schuurs, T A

    2015-06-01

    The introduction of molecular detection of infectious organisms has led to increased numbers of positive findings, as observed for pathogens causing gastroenteritis (GE). However, because little is known about the prevalence of these pathogens in the healthy asymptomatic population, the clinical value of these additional findings is unclear. A case-control study was carried out in a population of patients served by general practitioners in the Netherlands. A total of 2710 fecal samples from case and matched control subjects were subjected to multiplex real-time PCR for the 11 most common bacterial and four protozoal causes of GE. Of 1515 case samples, 818 (54%) were positive for one or more target organisms. A total of 49% of the controls were positive. Higher positivity rates in cases compared to controls were observed for Campylobacter spp., Salmonella spp., Clostridium difficile, enteroinvasive Escherichia coli/Shigella spp., enterotoxigenic E. coli, enteroaggregative E. coli, atypical enteropathogenic E. coli (EPEC), Cryptosporidium parvum/hominis, and Giardia lamblia. However, Dientamoeba fragilis and Shiga-like toxigenic E. coli were detected significantly less frequent in cases than in controls, while no difference in prevalence was found for typical EPEC and enterohemorrhagic E. coli. The association between the presence of microorganisms and GE was the weakest in children aged 0 to 5 years. Higher relative loads in cases further support causality. This was seen for Campylobacter spp., Salmonella spp., enterotoxigenic E. coli, and C. parvum/hominis, and for certain age categories of those infected with C. difficile, enteroaggregative E. coli, and atypical EPEC. For D. fragilis and Shiga-like toxigenic E. coli/enterohemorrhagic E. coli, pathogen loads were lower in cases. Application of molecular diagnostics in GE is rapid, sensitive and specific, but results should be interpreted with care, using clinical and additional background information. PMID:25700890

  12. OHMS**: Phytoplasmas dictate changes in sieve-element ultrastructure to accommodate their requirements for nutrition, multiplication and translocation

    PubMed Central

    Musetti, Rita; Pagliari, Laura; Buxa, Stefanie V.; Degola, Francesca; De Marco, Federica; Loschi, Alberto; Kogel, Karl-Heinz; van Bel, Aart J. E.

    2016-01-01

    ABSTRACT Phytoplasmas are among the most recently discovered plant pathogenic microorganisms so, many traits of the interactions with host plants and insect vectors are still unclear and need to be investigated. At now, it is impossible to determine the precise sequences leading to the onset of the relationship with the plant host cell. It is still unclear how phytoplasmas, located in the phloem sieve elements, exploit host cell to draw nutrition for their metabolism, growth and multiplication. In this work, basing on microscopical observations, we give insight about the structural interactions established by phytoplasmas and the sieve element plasma membrane, cytoskeleton, sieve endoplasmic reticulum, speculating about a possible functional role. PMID:26795235

  13. Controlled release of the herbicide simazine from computationally designed molecularly imprinted polymers.

    PubMed

    Piletska, Elena V; Turner, Nicholas W; Turner, Anthony P F; Piletsky, Sergey A

    2005-11-01

    The present study describes the development of materials suitable for environmental control of algae. Molecularly imprinted polymers (MIPs) were used as simazine carriers able to provide the controlled release of simazine into water. Three polymers were designed using computational modelling. The selection of methacrylic acid (MA) and hydroxyethyl methacrylate (HEM) as functional monomers was based on results obtained using the Leapfrog algorithm. A cross-linked polymer made without functional monomers was also prepared and tested as a control. The release of simazine from all three polymers was studied. It was shown that the presence of functional monomers is important for polymer affinity and for controlled release of herbicide. The speed of release of herbicide correlated with the calculated binding characteristics. The high-affinity MA-based polymer released approximately 2% and the low-affinity HEM-based polymer released approximately 27% of the template over 25 days. The kinetics of simazine release from HEM-based polymer show that total saturation of an aqueous environment could be achieved over a period of 3 weeks and this corresponds to the maximal simazine solubility in water. The possible use of these types of polymers in the field of controlled release is discussed. PMID:16111783

  14. Mitochondrial DNA control region of three mackerels, genus Rastrelliger: structure, molecular diversity and phylogenetic relationship.

    PubMed

    Jondeung, Amnuay; Karinthanyakit, Wirangrong

    2016-07-01

    The complete mitochondrial control regions (CR) of three mackerels (Rastrelliger spp.) were examined and analyzed. The CR contained three domains, in which three termination-associated sequences (TAS-I, TAS-II and TAS-III), two central conserved sequence blocks (CSB-E, CSB-D), three conserved sequence blocks (CSB-I, CSB-II, and CSB-III) and a putative promoter were detected. Molecular indices analyses of the aligned complete CR sequences showed high level of haplotype diversities and genetic divergences among the three species. The intraspecific divergence among species of this genus ranked from 0.25% to 1.62% and interspecific divergence from 1.90% to 4.30%. The phylogenetic tree shows monophyly with R. brachysoma as a basal species of Rastrelliger. Applying the average divergence rate for fish control regions, the results suggest that the time of separation among Rastrelligers could have occurred in the middle Pleistocene era. PMID:26119119

  15. Real-time control of the molecular beam epitaxy of nitrides

    NASA Astrophysics Data System (ADS)

    Massies, J.; Grandjean, N.

    1999-05-01

    Due to the peculiarities of the growth process of GaN and related alloys on sapphire substrates, reflection high-energy electron diffraction (RHEED) is not sufficient to correctly monitor all the different steps of molecular beam epitaxy growth (MBE). It is shown that laser reflectivity, which is a very simple method, is highly complementary to RHEED. However, RHEED remains an unrivaled tool for the precise control of the growth. In particular, the observation of RHEED intensity oscillations can be used, as for classical semiconductors, to determine the growth rate with monolayer precision and also the composition of ternary alloys such as Al xGa 1- xN. The accuracy of such a RHEED based control of MBE growth of nitrides is exemplified by the optical properties of GaN/Al xGa 1- xN quantum well structures.

  16. Core-Shell Electrospun Fibers Encapsulating Chromophores or Luminescent Proteins for Microscopically Controlled Molecular Release.

    PubMed

    Romano, Luigi; Camposeo, Andrea; Manco, Rita; Moffa, Maria; Pisignano, Dario

    2016-03-01

    Core-shell fibers are emerging as interesting microstructures for the controlled release of drugs, proteins, and complex biological molecules, enabling the fine control of microreservoirs of encapsulated active agents, of the release kinetics, and of the localized delivery. Here we load luminescent molecules and enhanced green fluorescent proteins into the core of fibers realized by coaxial electrospinning. Photoluminescence spectroscopy evidences unaltered molecular emission following encapsulation and release. Moreover, the release kinetics is microscopically investigated by confocal analysis at individual-fiber scale, unveiling different characteristic time scales for diffusional translocation at the core and at the shell. These results are interpreted by a two stage desorption model for the coaxial microstructure, and they are relevant in the design and development of efficient fibrous systems for the delivery of functional biomolecules. PMID:26870885

  17. Strong-field control over the product branching ratios in molecular dissociation

    NASA Astrophysics Data System (ADS)

    Rigsbee, Brandon; Zohrabi, Mohammad; Ablikim, Utuq; Guevara, Nicolais; Carnes, Kevin; Ben-Itzhak, Itzik; Esry, Brett

    2012-06-01

    We present a theoretical and experimental study of strong-field control over the fragmentation channel in molecular dissociation by intense, single-color laser fields with emphasis on the effect of chirped pulses. In particular, the branching ratio between H+D^+ and H^++D from an HD^+ target is examined as a function of kinetic energy release for 790 nm pulses with intensities on the order of 10^14 W/cm^2 and pulse lengths ranging from 25 to 65 fs. Theoretical calculations based on numerical solutions of the time-dependent Schr"odinger equation in the Born-Oppenheimer approximation are compared to measurements using a coincidence 3-D momentum imaging technique. Both demonstrate that control is indeed possible and depends, as expected, on details of the laser pulse such as its chirp.

  18. Sieve-based relation extraction of gene regulatory networks from biological literature

    PubMed Central

    2015-01-01

    Background Relation extraction is an essential procedure in literature mining. It focuses on extracting semantic relations between parts of text, called mentions. Biomedical literature includes an enormous amount of textual descriptions of biological entities, their interactions and results of related experiments. To extract them in an explicit, computer readable format, these relations were at first extracted manually from databases. Manual curation was later replaced with automatic or semi-automatic tools with natural language processing capabilities. The current challenge is the development of information extraction procedures that can directly infer more complex relational structures, such as gene regulatory networks. Results We develop a computational approach for extraction of gene regulatory networks from textual data. Our method is designed as a sieve-based system and uses linear-chain conditional random fields and rules for relation extraction. With this method we successfully extracted the sporulation gene regulation network in the bacterium Bacillus subtilis for the information extraction challenge at the BioNLP 2013 conference. To enable extraction of distant relations using first-order models, we transform the data into skip-mention sequences. We infer multiple models, each of which is able to extract different relationship types. Following the shared task, we conducted additional analysis using different system settings that resulted in reducing the reconstruction error of bacterial sporulation network from 0.73 to 0.68, measured as the slot error rate between the predicted and the reference network. We observe that all relation extraction sieves contribute to the predictive performance of the proposed approach. Also, features constructed by considering mention words and their prefixes and suffixes are the most important features for higher accuracy of extraction. Analysis of distances between different mention types in the text shows that our choice

  19. 2nd International External Quality Control Assessment for the Molecular Diagnosis of Dengue Infections

    PubMed Central

    Domingo, Cristina; Niedrig, Matthias; Teichmann, Anette; Kaiser, Marco; Rumer, Leonid; Jarman, Richard G.; Donoso-Mantke, Oliver

    2010-01-01

    Background Currently dengue viruses (DENV) pose an increasing threat to over 2.5 billion people in over 100 tropical and sub-tropical countries worldwide. International air travel is facilitating rapid global movement of DENV, increasing the risk of severe dengue epidemics by introducing different serotypes. Accurate diagnosis is critical for early initiation of preventive measures. Different reverse transcriptase PCR (RT-PCR) methods are available, which should be evaluated and standardized. Epidemiological and laboratory-based surveillance is required to monitor and guide dengue prevention and control programmes, i.e., by mosquito control or possible vaccination (as soon as an effective and safe vaccine becomes available). Objective The purpose of the external quality assurance (EQA) study described is to assess the efficiency and accuracy of dengue molecular diagnosis methods applied by expert laboratories. Study Design A panel of 12 human plasma samples was distributed and tested for DENV-specific RNA. The panel comprised 9 samples spiked with different DENV serotypes (DENV-1 to DENV-4), including 10-fold dilution series of DENV-1 and DENV-3. Two specificity controls consisted of a sample with a pool of 4 other flaviviruses and a sample with chikungunya virus. A negative control sample was also included. Results Thirty-seven laboratories (from Europe, Middle East Asia, Asia, the Americas/Caribbean, and Africa) participated in this EQA study, and reports including 46 sets of results were returned. Performance among laboratories varied according to methodologies used. Only 5 (10.9%) data sets met all criteria with optimal performance, and 4 (8.7%) with acceptable performance, while 37 (80.4%) reported results showed the need for improvement regarding accomplishment of dengue molecular diagnosis. Failures were mainly due to lack of sensitivity and the presence of false positives. Conclusions The EQA provides information on each laboratory's efficacy of RT

  20. Molecular methods for microbiological quality control of meat and meat products: a review.

    PubMed

    Gokulakrishnan, P; Vergis, Jess

    2015-01-01

    Achieving food safety is a global health goal and the food-borne diseases take a major check on global health. Therefore, detection of microbial pathogens in food is the solution to the prevention and recognition of problems related to health and safety. Conventional and standard bacterial detection methods such as culture and colony counting methods and immunology-based methods may take up to several hours or even a few days to yield a result. Obviously, this is inadequate, and recently many researchers are focusing towards the progress of rapid diagnostic methods. The advent of molecular techniques has led to the development of a diverse array of assay for quality control of meat and meat products. Rapid analysis using DNA hybridization and amplification techniques offer more sensitivity and specificity to get results than culture based methods as well as dramatic reduction in the time to get results. Many methods have also achieved the high level automation, facilitating their application as routine sample screening assays. This review is intended to provide an overview of the molecular methods for microbiological quality control of meat and meat products. PMID:24915322

  1. UV curable lens production using molecular weight controlled PEEK based acrylic oligomer (Ac-PEEK).

    PubMed

    İnan, Tulay Y; Yıldız, Emel; Karaca, Birsen; Dogan, Hacer; Vatansever, Alican; Nalbant, Muhammed; Eken, Koray

    2014-08-01

    We produced UV curable lenses with properties blocking short wave UV light. In the UV-curable formulations, we used an oligomer (Ac-PEEK) with another urethan oligomer (Mw = 2000). Radically active, molecular weight controlled Ac-PEEK was obtained by reacting 2-hydroxyl ethyl methacrylate with molecular- weight- controlled and isocyanate terminated PEEK (Mn = 4500). We characterized all synthesized monomer, oligomer and optical materials with UV/Vis spectrophotometer with interferogram, elemental analyser, mass spectrophotometer, proton nuclear magnetic resonance, Fourier transform infrared spectroscopy, thermal gravimetric analyzer, differential scanning calorimeter, scanning electron microscopy and gas chromatography. Results suggested that newly synthesized oligomer with the structure of PEEK absorbs short wave UV-light. Ageing tests [ISO 11979-5, Ophthalmic implants-intraocular lenses (IOL)-Part 5: Biocompatibility] performed on the IOL materials were successful. High contact angle of the obtained lenses suggests that all lenses were hydrophobic and SEM results revealed that lenses are morphologically homogeneous. Based on all positive properties just mentioned, we safely conclude that the lenses produced in this study are very promising for IOL production. PMID:24796625

  2. Molecular control of brain size: Regulators of neural stem cell life, death and beyond

    SciTech Connect

    Joseph, Bertrand; Hermanson, Ola

    2010-05-01

    The proper development of the brain and other organs depends on multiple parameters, including strictly controlled expansion of specific progenitor pools. The regulation of such expansion events includes enzymatic activities that govern the correct number of specific cells to be generated via an orchestrated control of cell proliferation, cell cycle exit, differentiation, cell death etc. Certain proteins in turn exert direct control of these enzymatic activities and thus progenitor pool expansion and organ size. The members of the Cip/Kip family (p21Cip1/p27Kip1/p57Kip2) are well-known regulators of cell cycle exit that interact with and inhibit the activity of cyclin-CDK complexes, whereas members of the p53/p63/p73 family are traditionally associated with regulation of cell death. It has however become clear that the roles for these proteins are not as clear-cut as initially thought. In this review, we discuss the roles for proteins of the Cip/Kip and p53/p63/p73 families in the regulation of cell cycle control, differentiation, and death of neural stem cells. We suggest that these proteins act as molecular interfaces, or 'pilots', to assure the correct assembly of protein complexes with enzymatic activities at the right place at the right time, thereby regulating essential decisions in multiple cellular events.

  3. Molecular and genetic aspects of controlling the soilborne necrotrophic pathogens Rhizoctonia and Pythium.

    PubMed

    Okubara, Patricia A; Dickman, Martin B; Blechl, Ann E

    2014-11-01

    The soilborne necrotrophic pathogens Rhizoctonia and Pythium infect a wide range of crops in the US and worldwide. These pathogens pose challenges to growers because the diseases they cause are not adequately controlled by fungicides, rotation or, for many hosts, natural genetic resistance. Although a combination of management practices are likely to be required for control of Rhizoctonia and Pythium, genetic resistance remains a key missing component. This review discusses the recent deployment of introduced genes and genome-based information for control of Rhizoctonia, with emphasis on three pathosystems: Rhizoctonia solani AG8 and wheat, R. solani AG1-IA and rice, and R. solani AG3 or AG4 and potato. Molecular mechanisms underlying disease suppression will be addressed, if appropriate. Although less is known about genes and factors suppressive to Pythium, pathogen genomics and biological control studies are providing useful leads to effectors and antifungal factors. Prospects for resistance to Rhizoctonia and Pythium spp. will continue to improve with growing knowledge of pathogenicity strategies, host defense gene action relative to the pathogen infection process, and the role of environmental factors on pathogen-host interactions. PMID:25438786

  4. Sieve estimation in a Markov illness-death process under dual censoring.

    PubMed

    Boruvka, Audrey; Cook, Richard J

    2016-04-01

    Semiparametric methods are well established for the analysis of a progressive Markov illness-death process observed up to a noninformative right censoring time. However, often the intermediate and terminal events are censored in different ways, leading to a dual censoring scheme. In such settings, unbiased estimation of the cumulative transition intensity functions cannot be achieved without some degree of smoothing. To overcome this problem, we develop a sieve maximum likelihood approach for inference on the hazard ratio. A simulation study shows that the sieve estimator offers improved finite-sample performance over common imputation-based alternatives and is robust to some forms of dependent censoring. The proposed method is illustrated using data from cancer trials. PMID:26598559

  5. Chip-based optical microscopy for imaging membrane sieve plates of liver scavenger cells

    NASA Astrophysics Data System (ADS)

    Helle, Øystein I.; Øie, Cristina I.; McCourt, Peter; Ahluwalia, Balpreet S.

    2015-08-01

    The evanescent field on top of optical waveguides is used to image membrane network and sieve-plates of liver endothelial cells. In waveguide excitation, the evanescent field is dominant only near the surface (~100-150 nm) providing a default optical sectioning by illuminating fluorophores in close proximity to the surface and thus benefiting higher signal-to-noise ratio. The sieve plates of liver sinusoidal endothelial cells are present on the cell membrane, thus near-field waveguide chip-based microscopy configuration is preferred over epi-fluorescence. The waveguide chip is compatible with optical fiber components allowing easy multiplexing to different wavelengths. In this paper, we will discuss the challenges and opportunities provided by integrated optical microscopy for imaging cell membranes.

  6. Boolean information sieves: a local-to-global approach to quantum information

    NASA Astrophysics Data System (ADS)

    Zafiris, Elias

    2010-11-01

    We propose a sheaf-theoretic framework for the representation of a quantum observable structure in terms of Boolean information sieves. The algebraic representation of a quantum observable structure in the relational local terms of sheaf theory effectuates a semantic transition from the axiomatic set-theoretic context of orthocomplemented partially ordered sets, a la Birkhoff and Von Neumann, to the categorical topos-theoretic context of Boolean information sieves, a la Grothendieck. The representation schema is based on the existence of a categorical adjunction, which is used as a theoretical platform for the development of a functorial formulation of information transfer, between quantum observables and Boolean localisation devices in typical quantum measurement situations. We also establish precise criteria of integrability and invariance of quantum information transfer by cohomological means.

  7. Surface-modified silica colloidal crystals: nanoporous films and membranes with controlled ionic and molecular transport.

    PubMed

    Zharov, Ilya; Khabibullin, Amir

    2014-02-18

    Nanoporous membranes are important for the study of the transport of small molecules and macromolecules through confined spaces and in applications ranging from separation of biomacromolecules and pharmaceuticals to sensing and controlled release of drugs. For many of these applications, chemists need to gate the ionic and molecular flux through the nanopores, which in turn depends on the ability to control the nanopore geometry and surface chemistry. Most commonly used nanoporous membrane materials are based on polymers. However, the nanostructure of polymeric membranes is not well-defined, and their surface is hard to modify. Inorganic nanoporous materials are attractive alternatives for polymers in the preparation of nanoporous membranes. In this Account, we describe the preparation and surface modification of inorganic nanoporous films and membranes self-assembled from silica colloidal spheres. These spheres form colloidal crystals with close-packed face centered cubic lattices upon vertical deposition from colloidal solutions. Silica colloidal crystals contain ordered arrays of interconnected three dimensional voids, which function as nanopores. We can prepare silica colloidal crystals as supported thin films on various flat solid surfaces or obtain free-standing silica colloidal membranes by sintering the colloidal crystals above 1000 °C. Unmodified silica colloidal membranes are capable of size-selective separation of macromolecules, and we can surface-modify them in a well-defined and controlled manner with small molecules and polymers. For the surface modification with small molecules, we use silanol chemistry. We grow polymer brushes with narrow molecular weight distribution and controlled length on the colloidal nanopore surface using atom transfer radical polymerization or ring-opening polymerization. We can control the flux in the resulting surface-modified nanoporous films and membranes by pH and ionic strength, temperature, light, and small molecule

  8. Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation

    NASA Astrophysics Data System (ADS)

    Qu, Yuanyuan; Li, Feng; Zhou, Hongcai; Zhao, Mingwen

    2016-01-01

    Light isotopes separation, such as 3He/4He, H2/D2, H2/T2, etc., is crucial for various advanced technologies including isotope labeling, nuclear weapons, cryogenics and power generation. However, their nearly identical chemical properties made the separation challenging. The low productivity of the present isotopes separation approaches hinders the relevant applications. An efficient membrane with high performance for isotopes separation is quite appealing. Based on first-principles calculations, we theoretically demonstrated that highly efficient light isotopes separation, such as 3He/4He, can be reached in a porous graphene-like carbon nitride material via quantum sieving effect. Under moderate tensile strain, the quantum sieving of the carbon nitride membrane can be effectively tuned in a continuous way, leading to a temperature window with high 3He/4He selectivity and permeance acceptable for efficient isotopes harvest in industrial application. This mechanism also holds for separation of other light isotopes, such as H2/D2, H2/T2. Such tunable quantum sieving opens a promising avenue for light isotopes separation for industrial application.

  9. Chemical Reactivity of Formaldehyde in FeAlP0{sub 4} Sieve

    SciTech Connect

    Yeom, Young-Hoon; Ulagappan, Nagappan; Frei, Heinz

    2001-03-12

    Formaldehyde gas loaded into framework Fe aluminophosphate sieve (FeAlP O4-5) at 250 K was found to react with adsorbed H2O, CH3OH, H2O2, or lattice OH groups to yield the corresponding addition product, namely CH2(OH)2, CH3OCH2OH, HO 2CH2OH, or POCH2OH, respectively. Reactions were monitored in situ by static FT-IR spectroscopy, and assignments are based on experiments with CD2=0 and CD3OD. Most efficient was the reaction with H2O2 as indicated by the fact that HO2CH2OH was formed at the exclusion of CH2(OH)2 and POCH2OH when adsorbing formaldehyde onto a sieve loaded with H2O2 and H2O. Methoxymethanol, methanediol, and POCH2OH were stable at 250 K, but dissociated above 0 degrees C under release of formaldehyde. Hydromethyl hydroperoxide disproportionates to formic acid and water. Under 355 nm irradiation in FeAlPO4 sieve, HO2CH2OH was found to undergo efficient photofragmentation.

  10. Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation.

    PubMed

    Qu, Yuanyuan; Li, Feng; Zhou, Hongcai; Zhao, Mingwen

    2016-01-01

    Light isotopes separation, such as (3)He/(4)He, H2/D2, H2/T2, etc., is crucial for various advanced technologies including isotope labeling, nuclear weapons, cryogenics and power generation. However, their nearly identical chemical properties made the separation challenging. The low productivity of the present isotopes separation approaches hinders the relevant applications. An efficient membrane with high performance for isotopes separation is quite appealing. Based on first-principles calculations, we theoretically demonstrated that highly efficient light isotopes separation, such as (3)He/(4)He, can be reached in a porous graphene-like carbon nitride material via quantum sieving effect. Under moderate tensile strain, the quantum sieving of the carbon nitride membrane can be effectively tuned in a continuous way, leading to a temperature window with high (3)He/(4)He selectivity and permeance acceptable for efficient isotopes harvest in industrial application. This mechanism also holds for separation of other light isotopes, such as H2/D2, H2/T2. Such tunable quantum sieving opens a promising avenue for light isotopes separation for industrial application. PMID:26813491

  11. Impact of fine mesh sieve primary treatment on nitrogen removal in moving bed biofilm reactors.

    PubMed

    Rusten, B; Razafimanantsoa, V A; Andriamiarinjaka, M A; Otis, C L; Sahu, A K; Bilstad, T

    2016-01-01

    The purpose of this project was to investigate the effect of selective particle removal during primary treatment on nitrogen removal in moving bed biofilm reactors (MBBRs). Two small MBBR pilot plants were operated in parallel, where one train treated 2 mm screened municipal wastewater and the other train treated wastewater that had passed through a Salsnes Filter SF1000 rotating belt sieve (RBS) with a 33 µs sieve cloth. The SF1000 was operated without a filter mat on the belt. The tests confirmed that, for the wastewater characteristics at the test plant, Salsnes Filter primary treatment with a 33 µs RBS and no filter mat produced a primary effluent that was close to optimum. Removal of organic matter with the 33 µs sieve had no negative effect on the denitrification process. Nitrification rates improved by 10-15% in the train with 33 µs RBS primary treatment. Mass balance calculations showed that without RBS primary treatment, the oxygen demand in the biological system was 36% higher. Other studies have shown that the sludge produced by RBS primary treatment is beneficial for biogas production and will also significantly improve sludge dewatering of the combined primary and biological sludge. PMID:26819389

  12. Highly Efficient Quantum Sieving in Porous Graphene-like Carbon Nitride for Light Isotopes Separation

    PubMed Central

    Qu, Yuanyuan; Li, Feng; Zhou, Hongcai; Zhao, Mingwen

    2016-01-01

    Light isotopes separation, such as 3He/4He, H2/D2, H2/T2, etc., is crucial for various advanced technologies including isotope labeling, nuclear weapons, cryogenics and power generation. However, their nearly identical chemical properties made the separation challenging. The low productivity of the present isotopes separation approaches hinders the relevant applications. An efficient membrane with high performance for isotopes separation is quite appealing. Based on first-principles calculations, we theoretically demonstrated that highly efficient light isotopes separation, such as 3He/4He, can be reached in a porous graphene-like carbon nitride material via quantum sieving effect. Under moderate tensile strain, the quantum sieving of the carbon nitride membrane can be effectively tuned in a continuous way, leading to a temperature window with high 3He/4He selectivity and permeance acceptable for efficient isotopes harvest in industrial application. This mechanism also holds for separation of other light isotopes, such as H2/D2, H2/T2. Such tunable quantum sieving opens a promising avenue for light isotopes separation for industrial application. PMID:26813491

  13. Molecular bioelectricity: how endogenous voltage potentials control cell behavior and instruct pattern regulation in vivo

    PubMed Central

    Levin, Michael

    2014-01-01

    In addition to biochemical gradients and transcriptional networks, cell behavior is regulated by endogenous bioelectrical cues originating in the activity of ion channels and pumps, operating in a wide variety of cell types. Instructive signals mediated by changes in resting potential control proliferation, differentiation, cell shape, and apoptosis of stem, progenitor, and somatic cells. Of importance, however, cells are regulated not only by their own Vmem but also by the Vmem of their neighbors, forming networks via electrical synapses known as gap junctions. Spatiotemporal changes in Vmem distribution among nonneural somatic tissues regulate pattern formation and serve as signals that trigger limb regeneration, induce eye formation, set polarity of whole-body anatomical axes, and orchestrate craniofacial patterning. New tools for tracking and functionally altering Vmem gradients in vivo have identified novel roles for bioelectrical signaling and revealed the molecular pathways by which Vmem changes are transduced into cascades of downstream gene expression. Because channels and gap junctions are gated posttranslationally, bioelectrical networks have their own characteristic dynamics that do not reduce to molecular profiling of channel expression (although they couple functionally to transcriptional networks). The recent data provide an exciting opportunity to crack the bioelectric code, and learn to program cellular activity at the level of organs, not only cell types. The understanding of how patterning information is encoded in bioelectrical networks, which may require concepts from computational neuroscience, will have transformative implications for embryogenesis, regeneration, cancer, and synthetic bioengineering. PMID:25425556

  14. Controlling Nanostructures by Templated Templates: Inheriting Molecular Orientation in Binary Heterostructures.

    PubMed

    Breuer, Tobias; Witte, Gregor

    2015-09-16

    Precise preparation strategies are required to fabricate molecular nanostructures of specific arrangement. In bottom-up approaches, where nanostructures are gradually formed by piecing together individual parts to the final structure, the self-ordering mechanisms of the involved structures are utilized. In order to achieve the desired structures regarding morphology, grain size, and orientation of the individual moieties, templates can be applied, which influence the formation process of subsequent structures. However, this strategy is of limited use for complex architectures because the templates only influence the structure formation at the interface between the template and the first compound. Here, we discuss the implementation of so-called templated templates and analyze to what extent orientations of the initial layers are inherited in the top layers of another compound to enable structural control in binary heterostructures. For that purpose, we prepared crystalline templates of the organic semiconductors pentacene and perfluoropentacene in different exclusive orientations. We observe that for templates of both individual materials the molecular orientation is inherited in the top layers of the respective counterpart. This behavior is also observed for various other molecules, indicating the robustness of this approach. PMID:26305339

  15. Cell Death-Associated Molecular-Pattern Molecules: Inflammatory Signaling and Control

    PubMed Central

    Sangiuliano, Beatriz; Pérez, Nancy Marcela; Moreira, Dayson F.; Belizário, José E.

    2014-01-01

    Apoptosis, necroptosis, and pyroptosis are different cellular death programs characterized in organs and tissues as consequence of microbes infection, cell stress, injury, and chemotherapeutics exposure. Dying and death cells release a variety of self-proteins and bioactive chemicals originated from cytosol, nucleus, endoplasmic reticulum, and mitochondria. These endogenous factors are named cell death-associated molecular-pattern (CDAMP), damage-associated molecular-pattern (DAMP) molecules, and alarmins. Some of them cooperate or act as important initial or delayed inflammatory mediators upon binding to diverse membrane and cytosolic receptors coupled to signaling pathways for the activation of the inflammasome platforms and NF-κB multiprotein complexes. Current studies show that the nonprotein thiols and thiol-regulating enzymes as well as highly diffusible prooxidant reactive oxygen and nitrogen species released together in extracellular inflammatory milieu play essential role in controlling pro- and anti-inflammatory activities of CDAMP/DAMP and alarmins. Here, we provide an overview of these emerging concepts and mechanisms of triggering and maintenance of tissue inflammation under massive death of cells. PMID:25140116

  16. Molecular Modeling of Interaction between Diabetic Drug and Antioxidant in Controlling Sucrose

    NASA Astrophysics Data System (ADS)

    Rakesh, Leela; Lee, Choon

    2009-09-01

    This article examined the possible protective effect of N-acetylcysteine (NAC) taurine, quercetin and Syringaldehyde dendritic antioxidants against the oxidative stress induced by diabetic or pre-diabetic patient case due to high sucrose intake by computer simulation. We also compared these results with the well-known diabetic drugs glizipid and Avandia. Towards this understanding we undertook a molecular level computer model in order to study the molecular interaction between high sugar content with antioxidant by varying ratios of sucrose molecules with and without the presence of diabetic drugs. From our study it shows that with the presence of various antioxidant combinations diabetics drugs could be much more beneficial to the patients in terms of its side effects such a heart attack. Many interesting results have been obtained by this study. The application of this driving force may be used to predict the feasibility and benefit in order to understand the high-sucrose diet-induced obesity, which certainly would bring new insights on obesity-related adverse control and may possibly suggest the impact of N-acetylcysteine and syringaldehyde in such cases. Hyperglycemia is an important predictor of cardiovascular mortality in patients with diabetes. We also investigated the hypothesis that diabetes or acute hyperglycemia attenuates the reduction of myocardial infarct size produced by activation of mitochondrial ATP-regulated potassium (KATP) channels. The results indicate that diabetes/hyperglycemia impairs activation of mitochondrial KATP channels.

  17. Polymeric Colloidal Nanostructures Fabricated via Highly Controlled Convective Assembly and Their Use for Molecular Imprinting.

    PubMed

    Yang, Jin Chul; Park, Jin Young

    2016-03-23

    In this work, the formation of various polystyrene (PS) colloidal structures on striped PS patterns is demonstrated based on a simple and novel convective assembly method that controls the electrostatic interactions between the PS colloidal particles and sodium dodecyl sulfate (SDS). Under the optimal conditions (different withdrawal speeds, channel dimensions, suspension concentrations, etc.), highly ordered structures such as highly close-packed, zigzag, and linear colloidal aggregates are observed. In addition, these colloidal arrangements are used for development of molecularly imprinted polymer (MIP) sensors with highly improved sensing properties. Using PDMS replicas, three hemispherical poly(methacrylic acid-ethylene glycol dimethacrylate) (poly(MAA-EGDMA)) MIP films, including planar MIP and non-imprinted polymer (NIP) films, are photopolymerized for detection of trace atrazine in an aqueous solution. From gravimetric quartz crystal microbalance (QCM) measurements, a non-close-packed MIP film exhibits highest sensing response (Δf = 932 Hz) to atrazine detection among hemispherical MIP films and shows 6.5-fold higher sensing response than the planar MIP film. In addition, the sensitivity of the MIP sensor is equivalent to -119 Hz/(mol L(-1)). From the ratio of slopes of the calibration curves for the hemispherical MIP and NIP films, the imprinting factor (If) is as high as 11.0. The hemispherical MIP film also shows excellent selectivity in comparison with the sensing responses of other analogous herbicides. As a result, this molecular surface imprinting using PS colloidal arrays is highly efficient for herbicide detection. PMID:26938141

  18. Growth control of nonionic reverse micelles by surfactant and solvent molecular architecture and water addition.

    PubMed

    Shrestha, Lok Kumar; Shrestha, Rekha Goswami; Aramaki, Kenji

    2011-06-01

    This paper describes a facile route to the shape, size, and structure control of reversed micelles by surfactant and solvent molecular architecture and water addition. Nonionic reverse micellar size is found to increase with increase in hydrophilic headgroup size of surfactant, whose scheme is understood in terms of decrease in the critical packing parameter (cpp). On the other hand, an opposite trend is observed with increase in lipophilicity of the surfactant. This is caused by the repulsive excluded volume interactions, which increases with the volume of lipophilic moiety of surfactant; as a result, the micelle interface tends to become more curved and micelles shrink. Solvent molecular structure has played a crucial role; increasing hydrocarbon chain length of alkanes favored one dimensional micellar growth. We note that long chain oil has a poor penetration tendency to lipophilic tail of surfactant and decreases the cpp. Solvent polarity is also crucial; globular micelles are formed in short chain oil cyclohexane. We note that decreasing chain length of oil mimic the decrease in the headgroup size of surfactant; rod-to-sphere type transition in the micellar structure. Addition of trace water favors micellar growth; maximum dimension and micellar cross section increases with increase in water concentration. The sizes of the water incorporated reverse micelles (or w/o microemulsion) are much bigger than the empty micelles. Micellar structure was confirmed by small angle X-ray scattering (SAXS) and supported by rheology. PMID:21770115

  19. Thermally controlled optical shutter in an inter-molecular hydrogen bonded liquid crystal

    NASA Astrophysics Data System (ADS)

    Vijayakumar, V. N.; Madhu Mohan, M. L. N.

    2011-11-01

    Novel homologs series of supra-molecular liquid crystals have been isolated. Hydrogen bond is formed between mandelic acid (MD) and various homologs of p- n-alkyloxy benzoic acids (nOBA) and has been confirmed by FTIR studies. Optical polarizing microscopic observations show that all these materials exhibit rich liquid crystallinity with various mesophases. Phase transition temperatures and enthalpy values are experimentally evaluated by DSC studies and the phase diagram of homologous series has been constructed. An interesting feature is the observation of thermally controlled reversible optical shuttering action in one of the homolog, wherein with the increment of temperature the homeotropic texture changes to homogenous texture of smectic F. Thus, this optical shuttering phenomenon is reversible. Optical tilt angle data of two homologs have been fitted to power law equation and it is found that the mean field theory prediction is valid. The light intensity profile in homeotropic region of smectic F in one complex has been experimentally analyzed and a steep sudden decrement of the intensity of light manifesting the distortion of the molecular alignment is experimentally found.

  20. Molecular Effects of Irradiation (Cobalt-60) on the Control of Panonychus citri (Acari: Tetranychidae)

    PubMed Central

    Zhang, Ke; Luo, Lingyan; Chen, Xieting; Hu, Meiying; Hu, Qiongbo; Gong, Liang; Weng, Qunfang

    2015-01-01

    The effective dose of irradiation to control pest mites in quarantine has been studied extensively, but the molecular mechanisms underlying the effects of the irradiation on mites are largely unknown. In this study, exposure to 400 Gy of γ rays had significant (p < 0.05) effects on the adult survival, fecundity and egg viability of Panonychus citri. The irradiation caused the degradation of the DNA of P. citri adults and damaged the plasma membrane system of the egg, which led to condensed nucleoli and gathered yolk. Additionally, the transcriptomes and gene expression profiles between irradiated and non-irradiated mites were compared, and three digital gene expression libraries were assembled and analyzed. The differentially expressed genes were putatively involved in apoptosis, cell death and the cell cycle. Finally, the expression profiles of some related genes were studied using quantitative real-time PCR. Our study provides valuable information on the changes in the transcriptome of irradiated P. citri, which will facilitate a better understanding of the molecular mechanisms that cause the sterility induced by irradiation. PMID:26569230

  1. Patterning a hydrogen-bonded molecular monolayer with a hand-controlled scanning probe microscope.

    PubMed

    Green, Matthew F B; Esat, Taner; Wagner, Christian; Leinen, Philipp; Grötsch, Alexander; Tautz, F Stefan; Temirov, Ruslan

    2014-01-01

    One of the paramount goals in nanotechnology is molecular-scale functional design, which includes arranging molecules into complex structures at will. The first steps towards this goal were made through the invention of the scanning probe microscope (SPM), which put single-atom and single-molecule manipulation into practice for the first time. Extending the controlled manipulation to larger molecules is expected to multiply the potential of engineered nanostructures. Here we report an enhancement of the SPM technique that makes the manipulation of large molecular adsorbates much more effective. By using a commercial motion tracking system, we couple the movements of an operator's hand to the sub-angstrom precise positioning of an SPM tip. Literally moving the tip by hand we write a nanoscale structure in a monolayer of large molecules, thereby showing that our method allows for the successful execution of complex manipulation protocols even when the potential energy surface that governs the interaction behaviour of the manipulated nanoscale object(s) is largely unknown. PMID:25383304

  2. Patterning a hydrogen-bonded molecular monolayer with a hand-controlled scanning probe microscope

    PubMed Central

    Green, Matthew F B; Esat, Taner; Wagner, Christian; Leinen, Philipp; Grötsch, Alexander; Tautz, F Stefan

    2014-01-01

    Summary One of the paramount goals in nanotechnology is molecular-scale functional design, which includes arranging molecules into complex structures at will. The first steps towards this goal were made through the invention of the scanning probe microscope (SPM), which put single-atom and single-molecule manipulation into practice for the first time. Extending the controlled manipulation to larger molecules is expected to multiply the potential of engineered nanostructures. Here we report an enhancement of the SPM technique that makes the manipulation of large molecular adsorbates much more effective. By using a commercial motion tracking system, we couple the movements of an operator's hand to the sub-angstrom precise positioning of an SPM tip. Literally moving the tip by hand we write a nanoscale structure in a monolayer of large molecules, thereby showing that our method allows for the successful execution of complex manipulation protocols even when the potential energy surface that governs the interaction behaviour of the manipulated nanoscale object(s) is largely unknown. PMID:25383304

  3. Molecular Effects of Irradiation (Cobalt-60) on the Control of Panonychus citri (Acari: Tetranychidae).

    PubMed

    Zhang, Ke; Luo, Lingyan; Chen, Xieting; Hu, Meiying; Hu, Qiongbo; Gong, Liang; Weng, Qunfang

    2015-01-01

    The effective dose of irradiation to control pest mites in quarantine has been studied extensively, but the molecular mechanisms underlying the effects of the irradiation on mites are largely unknown. In this study, exposure to 400 Gy of γ rays had significant (p < 0.05) effects on the adult survival, fecundity and egg viability of Panonychus citri. The irradiation caused the degradation of the DNA of P. citri adults and damaged the plasma membrane system of the egg, which led to condensed nucleoli and gathered yolk. Additionally, the transcriptomes and gene expression profiles between irradiated and non-irradiated mites were compared, and three digital gene expression libraries were assembled and analyzed. The differentially expressed genes were putatively involved in apoptosis, cell death and the cell cycle. Finally, the expression profiles of some related genes were studied using quantitative real-time PCR. Our study provides valuable information on the changes in the transcriptome of irradiated P. citri, which will facilitate a better understanding of the molecular mechanisms that cause the sterility induced by irradiation. PMID:26569230

  4. RNA Surveillance: Molecular Approaches in Transcript Quality Control and their Implications in Clinical Diseases

    PubMed Central

    Moraes, Karen CM

    2010-01-01

    Production of mature mRNAs that encode functional proteins involves highly complex pathways of synthesis, processing and surveillance. At numerous steps during the maturation process, the mRNA transcript undergoes scrutiny by cellular quality control machinery. This extensive RNA surveillance ensures that only correctly processed mature mRNAs are translated and precludes production of aberrant transcripts that could encode mutant or possibly deleterious proteins. Recent advances in elucidating the molecular mechanisms of mRNA processing have demonstrated the existence of an integrated network of events, and have revealed that a variety of human diseases are caused by disturbances in the well-coordinated molecular equilibrium of these events. From a medical perspective, both loss and gain of function are relevant, and a considerable number of different diseases exemplify the importance of the mechanistic function of RNA surveillance in a cell. Here, mechanistic hallmarks of mRNA processing steps are reviewed, highlighting the medical relevance of their deregulation and how the understanding of such mechanisms can contribute to the development of therapeutic strategies. PMID:19829759

  5. Oligogermanes as molecular precursors for germanium(0) nanoparticles: Size control and size-dependent fluorescence

    SciTech Connect

    Schrick, Aaron C.; Weinert, Charles S.

    2013-10-15

    Graphical abstract: Catenated germanium compounds are employed as molecular precursors for germanium(0) nanoparticles. The size of the nanoparticles, and their fluorescence spectra, depend on the number of catenated germanium atoms present in the precursor. - Highlights: • We have used oligogermanes for the size-specific synthesis of germanium(0) nanoparticles. • The size of the nanomaterials obtained depends directly on the degree of catenation present in the oligogermane precursor. • The nanoparticles are shown to exhibit size-dependent fluorescence. • Oligogermanes will function as useful precursors for the synthesis of a variety of nanomaterials. - Abstract: Germanium nanoparticles were synthesized in solution from novel oligogermane molecular precursors. The size of the nanoparticles obtained is directly related to the number of catenated germanium atoms present in the oligogermane precursor and the nanoparticles exhibit size-dependent fluorescence. The germanium nanoparticles were also characterized by TEM, powder XRD, FTIR, EDS and XPS methods. This method appears to be a promising new route for the synthesis of germanium nanoparticles since the size of the materials obtained can be controlled by the choice of the oligogermane used as the precursor.

  6. Characterization of an interferometric optical sieve for particle sorting

    NASA Astrophysics Data System (ADS)

    Volke-Sepulveda, K.; Ramos-García, R.; Ricardez-Vargas, I.

    2006-08-01

    We present a detailed theoretical discussion and experimental analysis of an interferometric optical trapping device that allows efficient sorting of particles, including biological samples, either by size or refractive index. This technique involves no microfluidic flow, but it is based on the specific response of different microparticles to an interference pattern of fringes vibrating with a periodic but non-symmetric time modulation function. The performance of the system is analyzed in terms of the different control parameters, such as the period of the fringes, the vibration amplitude and frequency, and the power level in the sample. We discuss the possibility of using this system to characterize unknown samples.

  7. Precision spectroscopy of the molecular ion HD{sup +}: Control of Zeeman shifts

    SciTech Connect

    Bakalov, Dimitar; Korobov, Vladimir; Schiller, Stephan

    2010-11-15

    Precision spectroscopy on cold molecules can potentially enable novel tests of fundamental laws of physics and alternative determination of some fundamental constants. Realizing this potential requires a thorough understanding of the systematic effects that shift the energy levels of molecules. We have performed a complete ab initio calculation of the magnetic field effects for a particular system, the molecular hydrogen ion HD{sup +}. Different spectroscopic schemes have been considered, and several transitions, all accessible by modern radiation sources and exhibiting well controllable or negligible Zeeman shift, have been identified. Thus, HD{sup +} is a candidate for the determination of the ratio of electron-to-nuclear reduced mass, and for tests of its time independence.

  8. Towards precise defect control in layered oxide structures by using oxide molecular beam epitaxy

    PubMed Central

    Baiutti, Federico; Christiani, Georg

    2014-01-01

    Summary In this paper we present the atomic-layer-by-layer oxide molecular beam epitaxy (ALL-oxide MBE) which has been recently installed in the Max-Planck Institute for Solid State Research and we report on its present status, providing some examples that demonstrate its successful application in the synthesis of different layered oxides, with particular reference to superconducting La2CuO4 and insulator-to-metal La2− xSrxNiO4. We briefly review the ALL-oxide MBE technique and its unique capabilities in the deposition of atomically smooth single-crystal thin films of various complex oxides, artificial compounds and heterostructures, introducing our goal of pursuing a deep investigation of such systems with particular emphasis on structural defects, with the aim of tailoring their functional properties by precise defects control. PMID:24995148

  9. Towards precise defect control in layered oxide structures by using oxide molecular beam epitaxy.

    PubMed

    Baiutti, Federico; Christiani, Georg; Logvenov, Gennady

    2014-01-01

    In this paper we present the atomic-layer-by-layer oxide molecular beam epitaxy (ALL-oxide MBE) which has been recently installed in the Max-Planck Institute for Solid State Research and we report on its present status, providing some examples that demonstrate its successful application in the synthesis of different layered oxides, with particular reference to superconducting La2CuO4 and insulator-to-metal La2- x Sr x NiO4. We briefly review the ALL-oxide MBE technique and its unique capabilities in the deposition of atomically smooth single-crystal thin films of various complex oxides, artificial compounds and heterostructures, introducing our goal of pursuing a deep investigation of such systems with particular emphasis on structural defects, with the aim of tailoring their functional properties by precise defects control. PMID:24995148

  10. Molecular Interaction Control in Diblock Copolymer Blends and Multiblock Copolymers with Opposite Phase Behaviors

    NASA Astrophysics Data System (ADS)

    Cho, Junhan

    2014-03-01

    Here we show how to control molecular interactions via mixing AB and AC diblock copolymers, where one copolymer exhibits upper order-disorder transition and the other does lower disorder-order transition. Linear ABC triblock copolymers possessing both barotropic and baroplastic pairs are also taken into account. A recently developed random-phase approximation (RPA) theory and the self-consistent field theory (SCFT) for general compressible mixtures are used to analyze stability criteria and morphologies for the given systems. It is demonstrated that the copolymer systems can yield a variety of phase behaviors in their temperature and pressure dependence upon proper mixing conditions and compositions, which is caused by the delicate force fields generated in the systems. We acknowledge the financial support from National Research Foundation of Korea and Center for Photofunctional Energy Materials.

  11. Diffusion in Lennard-Jones fluids using dual control volume grand canonical molecular dynamics simulation (DCV-GCMD)

    SciTech Connect

    Heffelfinger, G.S. ); Swol, F.v. )

    1994-05-15

    A new approach to calculating diffusivities, both transport as well as equilibrium, is presented. The dual control volume grand canonical molecular dynamics (or DCV-GCMD) method employs two local control volumes for chemical potential control via particle creation/destruction as in grand canonical Monte Carlo (GCMC) simulations. The control volumes are inserted in a standard [ital NVT] molecular dynamics simulation yielding a simulation with stochastic chemical potential control that may be thought of as a hybrid GCMC-MD approach. The geometrical control of the chemical potential enables a steady state chemical potential gradient to be established in the system. By measuring the density profile and flux, Fick's law is used to determine the diffusivity. An example calculation is presented for a simple Lennard-Jones system.

  12. On-line preconcentration of sodium dodecyl sulfate-protein complexes using electrokinetic supercharging method with a prefilled water plug in capillary sieving electrophoresis.

    PubMed

    Liu, Jing; Kang, Mingchao; Liu, Zhen

    2011-09-01

    An electrokinetic supercharging (EKS) method with a prefilled water plug at the head column of capillary was developed for on-line preconcentration of sodium dodecyl sulfate (SDS)-protein complexes in capillary sieving electrophoresis (CSE). Conventional EKS is a combination of electrokinetic injection with transient isotachophoresis (tr-ITP). The capillary is first filled with background electrolyte, then an appropriate amount of a leading electrolyte is filled and electro-injection is carried out for certain duration. After that, terminating electrolyte is filled, and tr-ITP is subsequently initiated, followed by capillary electrophoresis (CE) separation. In this work, the performance of EKS was evaluated by integrating multiple sub-methods step by step, and a water plug containing polymer was introduced before electrokinetic injection in order to further improve the concentration effect. The positive effects of the sub-methods were verified, including molecular sieving effect of polymer, field enhanced sample injection (FESI) with and without a water plug, and transient isotachophoretic electrophoresis-based FESI. It was observed that analyte discrimination usually encountered in conventional electrokinetic injection was eliminated due to the similar charge to mass ratios of SDS-protein complexes. Based on these results, a hybrid on-line preconcentration method, EKS with injecting a water plug containing polymer before sample electrokinetic injection, was proposed and used to indiscriminately preconcentrate SDS-protein complexes, which provided a sensitivity enhancement factor of more than 1000. It was very suitable for the analysis of low-abundance proteins, providing the information of their molecular mass. PMID:22233073

  13. Pulse-fluence-specified optimal control simulation with applications to molecular orientation and spin-isomer-selective molecular alignment

    SciTech Connect

    Yoshida, Masataka; Nakashima, Kaoru; Ohtsuki, Yukiyoshi

    2015-12-31

    We propose an optimal control simulation with specified pulse fluence and amplitude. The simulation is applied to the orientation control of CO molecules to examine the optimal combination of THz and laser pulses, and to discriminate nuclear-spin isomers of {sup 14}N{sub 2} as spatially anisotropic distributions.

  14. New insights into the molecular-level control of silica mineralization by diatoms

    NASA Astrophysics Data System (ADS)

    Wallace, A. F.; Dove, P. M.

    2007-12-01

    microscopy with elements of modern materials chemistry, to directly measure the rate of amorphous silica nucleation on COOH, NH3+, and COOH / NH3+-terminated surfaces under controlled solution conditions. Our results provide new insights into the molecular-level control of silica mineralization in diatoms. We show that differences between substrate-specific nucleation rates are controlled largely by kinetic factors rather than thermodynamic drivers, and that amine-terminated surfaces are not capable of triggering the onset of silica deposition without the synergistic activity of neighboring negatively charged species on the surface or in solution (e.g. carboxyl or phosphoryl groups). In light of this result we conclude that sites on the organic matrix that have phosphate and amine moieties in close proximity serve not only as contact points between the constituent macromolecules in the matrix, but also as initial sites of silica deposition.

  15. Molecular mechanisms controlling vascular lumen formation in three-dimensional extracellular matrices.

    PubMed

    Sacharidou, Anastasia; Stratman, Amber N; Davis, George E

    2012-01-01

    Considerable progress has been made toward a molecular understanding of how cells form lumen and tube structures in three-dimensional (3D) extracellular matrices (ECM). This progress has occurred through work performed with endothelial and epithelial cell models using both in vitro and in vivo approaches. Despite the apparent similarities between endothelial and epithelial cell lumen and tube formation mechanisms, there are clear distinctions that directly relate to their functional differences. This review will focus on endothelial cell (EC) lumen formation mechanisms which control blood vessel formation during development and postnatal life. Of great interest is that an EC lumen signaling complex has been identified which controls human EC lumen and tube formation in 3D matrices and which coordinates integrin-ECM contacts, cell surface proteolysis, cytoskeletal rearrangements, and cell polarity. This complex consists of the collagen-binding integrin α2β1, the collagen-degrading membrane-type 1 matrix metalloproteinase (MT1-MMP), junction adhesion molecule (Jam)C, JamB, polarity proteins Par3 and Par6b, and the Rho GTPase Cdc42-GTP. These interacting proteins are necessary to stimulate 3D matrix-specific signaling events (including activation of protein kinase cascades that regulate the actin and microtubule cytoskeletons) to control the formation of EC lumens and tube networks. Also, EC lumen formation is directly coupled to the generation of vascular guidance tunnels, enzymatically generated ECM conduits that facilitate EC tube remodeling and maturation. Mural cells such as pericytes are recruited along EC tubes within these tunnel spaces to control ECM remodeling events resulting in vascular basement membrane matrix assembly, a key step in tube maturation and stabilization. PMID:21997121

  16. Cryogenic separation of oxygen-argon mixture in natural air samples for isotopic and molecular ratios

    NASA Astrophysics Data System (ADS)

    Habeeb Rahman, Keedakkadan; Abe, Osamu

    2014-05-01

    The discovery of mass independent isotope fractionation in oxygen during the formation of ozone in the stratosphere has initiated a wide application in isotope geochemistry field. Separation of oxygen-argon mixture has become the foundation of high precision analysis of Δ17O and δ(O2/Ar) for geochemical applications. Here we present precise and simplified cryogenic separation of argon oxygen mixture from the atmospheric and dissolved air using 30/60 mesh 5A molecular sieve zeolite. A pioneer study of this method was conducted by Thiemens and Meagher in 1984. The column which is made of glass tube contains about 1.1 grams of molecular sieve zeolite and both ends of column was filled with glass wools. The experimental set up was tested for different combination of molecular sieves and slurry temperatures. We found the most efficient condition for the separation was at a column temperature of -103°C. For complete transfer of O2 and Ar mixture usually takes in 15-20 minutes time. The isotopic ratios of oxygen were analyzed using mass spectrometer (Thermo Fischer Delta Plus) relative to reference oxygen-argon mixture at 3V of m/z 32 for both sample and reference side. The signals of m/z 28, 32, and 40 were measured by dynamically to determine oxygen -argon ratio and to check nitrogen contamination. Repeated measurements of atmospheric air yielded a reproducibility (SE n=80) of 0.006, 0.004 and 0.19‰ for δ17O, δ18O and δO2/Ar respectively. The isotopic and molecular fractionation of argon- oxygen mixture during gas adsorption and desorption while using molecular sieve under liquid nitrogen temperature was studied. We have established a linear relationship governing the effect of 13X and 5A molecular sieves on molecular fractionation. And suggested the use of single 1/8" pellet 13X molecular sieve provided a negligible fractionation.

  17. Flight operations and performance of Skylab life support and environmental control systems

    NASA Technical Reports Server (NTRS)

    Hopson, G. D.; Littles, J. W.; Patterson, W. C.

    1974-01-01

    The design and performance of the Skylab thermal and environmental control systems is considered. The Orbital Workshop had a combined active and passive thermal control system. The refrigeration system was designed to store food and biomedical samples and to cool drinking water. The atmosphere control system included active humidity control, molecular sieves and charcoal canisters to control carbon dioxide, odor, and contaminants, and the gas supply system. Mission support preparation, including instrumentation, ground data system, system troubleshooting, and training, is surveyed. Major in-flight anomalies occurred with the thermal control system when the meteoroid shield was lost during SL-1 ascent and when the Airlock Module coolant loop malfunctioned during SL-2 manned operations. The atmosphere control system performed without major anomaly throughout the manned missions.

  18. Molecular characterization of the stomach microbiota in patients with gastric cancer and controls

    SciTech Connect

    Dicksved, J.; Lindberg, M.; Rosenquist, M.; Enroth, H.; Jansson, J.K.; Engstrand, L.

    2009-01-15

    Persistent infection of the gastric mucosa by Helicobacter pylori, can initiate an inflammatory cascade that progresses into atrophic gastritis, a condition associated with reduced capacity for secretion of gastric acid and an increased risk in developing gastric cancer. The role of H. pylori as an initiator of inflammation is evident but the mechanism for development into gastric cancer has not yet been proven. A reduced capacity for gastric acid secretion allows survival and proliferation of other microbes that normally are killed by the acidic environment. It has been postulated that some of these species may be involved in the development of gastric cancer, however their identities are poorly defined. In this study, the gastric microbiota from ten patients with gastric cancer was characterized and compared with five dyspeptic controls using the molecular profiling approach, terminal-restriction fragment length polymorphism (T-RFLP), in combination with 16S rRNA gene cloning and sequencing. T-RFLP analysis revealed a complex bacterial community in the cancer patients that was not significantly different from the controls. Sequencing of 140 clones revealed 102 phylotypes, with representatives from five bacterial phyla (Firmicutes, Bacteroidetes, Proteobacteria, Actinobacteria and Fusobacteria). The data revealed a relatively low abundance of H. pylori and showed that the gastric cancer microbiota was instead dominated by different species of the genera Streptococcus, Lactobacillus, Veillonella and Prevotella. The respective role of these species in development of gastric cancer remains to be determined.

  19. Temperature control of molecular circuit switch responsible for virulent phenotype expression in uropathogenic Escherichia coli

    NASA Astrophysics Data System (ADS)

    Samoilov, Michael

    2010-03-01

    The behavior and fate of biological organisms are to a large extent dictated by their environment, which can be often viewed as a collection of features and constraints governed by physics laws. Since biological systems comprise networks of molecular interactions, one such key physical property is temperature, whose variations directly affect the rates of biochemical reactions involved. For instance, temperature is known to control many gene regulatory circuits responsible for pathogenicity in bacteria. One such example is type 1 fimbriae (T1F) -- the foremost virulence factor in uropathogenic E. coli (UPEC), which accounts for 80-90% of all community-acquired urinary tract infections (UTIs). The expression of T1F is randomly `phase variable', i.e. individual cells switch between virulent/fimbriate and avirulent/afimbriate phenotypes, with rates regulated by temperature. Our computational investigation of this process, which is based on FimB/FimE recombinase-mediated inversion of fimS DNA element, offers new insights into its discrete-stochastic kinetics. In particular, it elucidates the logic of T1F control optimization to the host temperature and contributes further understanding toward the development of novel therapeutic approaches to UPEC-caused UTIs.

  20. Control of the molecular degradation of hyaluronic acid hydrogels for tissue augmentation.

    PubMed

    Oh, Eun Ju; Kang, Sun-Woong; Kim, Byung-Soo; Jiang, Ge; Cho, Il Hwan; Hahn, Sei Kwang

    2008-09-01

    A novel protocol to control the molecular degradation of hyaluronic acid (HA) hydrogels was successfully developed for tissue augmentation applications. HA has a different conformational structure in water and organic solvent, and the carboxyl group of HA is known to be the recognition site of hyaluronidase and HA receptors. Based on these findings, HA was chemically modified by grafting adipic acid dihydrazide (ADH) to the carboxyl group of HA in the water to prepare HA-ADH(WATER) and in the mixed solvent of water and ethanol to prepare degradation-controlled HA-ADH(WATER/ETHANOL). Three kinds of HA hydrogels were prepared by the crosslinking of HA-ADH(WATER) or HA-ADH(WATER/ETHANOL) with bis(sulfosuccinimidyl) suberate, and by the crosslinking of HA-OH with divinyl sulfone (DVS). In vitro and in vivo degradation tests showed that HA-DVS hydrogels were degraded most rapidly, followed by HA-ADH(WATER) hydrogels and HA-ADH(WATER/ETHANOL) hydrogels. There was no adverse effect during and after in vivo degradation tests. All of the HA hydrogel samples appeared to be biocompatible, according to the histological analysis with hematoxylin-eosin and Alcian blue. PMID:18022803