Nature of monovacancies on quasi-hexagonal structure of reconstructed Au(100) surface

Energy Technology Data Exchange (ETDEWEB)

Pieczyrak, Barbara; Trembulowicz, Artur; Antczak, Grażyna, E-mail: antczak@ifd.uni.wroc.pl; Jurczyszyn, Leszek

2017-06-15

Highlights: • Surprising nature of surface monovacancies: spontaneous healing. • Determination of vacancy formation energy in the range of 0.34–0.55 eV. • A good agreement between the theoretical (DFT) and experimental (STM) data. - Abstract: Density functional theory and the scanning tunneling microscopy were applied to investigate the nature of the defects on an unrotated reconstructed hexagonal Au(100) surface. We show the correlation between the nature of monovacancies and the geometrical arrangement of the atoms from the first (topmost) layer with respect to the second layer. The vacancies created directly above the atoms from the second layer (on-top position) move spontaneously into the subsurface upon relaxation. For the vacancies created in other places, the subsurface shift is hindered by the energy barrier and the lifted subsurface atom is in the interlayer position. Charge density calculations were compared with results from the scanning tunneling microscopy images which show a good agreement between the theoretical and experimental data.

Surface modification of argon/oxygen plasma treated vulcanized ethylene propylene diene polymethylene surfaces for improved adhesion with natural rubber

International Nuclear Information System (INIS)

Basak, Ganesh C.; Bandyopadhyay, Abhijit; Neogi, Sudarsan; Bhowmick, Anil K.

2011-01-01

Vulcanized ethylene propylene diene polymethylene (EPDM) rubber surface was treated in a radio frequency capacitatively coupled low pressure argon/oxygen plasma to improve adhesion with compounded natural rubber (NR) during co-vulcanization. The plasma modified surfaces were analyzed by means of contact angle measurement, surface energy, attenuated total reflection-infrared spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, energy dispersive X-ray sulfur mapping and atomic force microscopy. Several experimental variables such as plasma power, length of exposure time and composition of the argon-oxygen gas mixture were considered. It was delineated that plasma treatment changed both surface composition and roughness, and consequently increased peel strength. The change in surface composition was mainly ascribed to the formation of C-O and -C=O functional groups on the vulcanized surfaces. A maximum of 98% improvement in peel strength was observed after plasma treatment.

Surface modification of argon/oxygen plasma treated vulcanized ethylene propylene diene polymethylene surfaces for improved adhesion with natural rubber

Energy Technology Data Exchange (ETDEWEB)

Basak, Ganesh C. [Rubber Technology Centre, Indian Institute of Technology, Kharagpur 721302 (India); Bandyopadhyay, Abhijit [Department of Polymer Science and Technology, University of Calcutta, Calcutta 700 009 (India); Neogi, Sudarsan [Department of Chemical Engineering, Indian Institute of Technology, Kharagpur 721302 (India); Bhowmick, Anil K., E-mail: anilkb@rtc.iitkgp.ernet.in [Rubber Technology Centre, Indian Institute of Technology, Kharagpur 721302 (India)

2011-01-15

Vulcanized ethylene propylene diene polymethylene (EPDM) rubber surface was treated in a radio frequency capacitatively coupled low pressure argon/oxygen plasma to improve adhesion with compounded natural rubber (NR) during co-vulcanization. The plasma modified surfaces were analyzed by means of contact angle measurement, surface energy, attenuated total reflection-infrared spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, energy dispersive X-ray sulfur mapping and atomic force microscopy. Several experimental variables such as plasma power, length of exposure time and composition of the argon-oxygen gas mixture were considered. It was delineated that plasma treatment changed both surface composition and roughness, and consequently increased peel strength. The change in surface composition was mainly ascribed to the formation of C-O and -C=O functional groups on the vulcanized surfaces. A maximum of 98% improvement in peel strength was observed after plasma treatment.

Resolving the chemical nature of nanodesigned silica surface obtained via a bottom-up approach.

Science.gov (United States)

Rahma, Hakim; Buffeteau, Thierry; Belin, Colette; Le Bourdon, Gwenaëlle; Degueil, Marie; Bennetau, Bernard; Vellutini, Luc; Heuzé, Karine

2013-08-14

The covalent grafting on silica surfaces of a functional dendritic organosilane coupling agent inserted, in a long alkyl chain monolayer, is described. In this paper, we show that depending on experimental parameters, particularly the solvent, it is possible to obtain a nanodesigned surface via a bottom-up approach. Thus, we succeed in the formation of both homogeneous dense monolayer and a heterogeneous dense monolayer, the latter being characterized by a nanosized volcano-type pattern (4-6 nm of height, 100 nm of width, and around 3 volcanos/μm(2)) randomly distributed over the surface. The dendritic attribute of the grafted silylated coupling agent affords enough anchoring sites to immobilize covalently functional gold nanoparticles (GNPs), coated with amino PEG polymer to resolve the chemical nature of the surfaces and especially the volcano type nanopattern structures of the heterogeneous monolayer. Thus, the versatile surface chemistry developed herein is particularly challenging as the nanodesign is straightforward achieved in a bottom-up approach without any specific lithography device.

Measuring the specific surface area of natural and manmade glasses: effects of formation process, morphology, and particle size

International Nuclear Information System (INIS)

Papelis, Charalambos; Um, Wooyong; Russel, Charles E.; Chapman, Jenny B.

2003-01-01

The specific surface area of natural and manmade solid materials is a key parameter controlling important interfacial processes in natural environments and engineered systems, including dissolution reactions and sorption processes at solid-fluid interfaces. To improve our ability to quantify the release of trace elements trapped in natural glasses, the release of hazardous compounds trapped in manmade glasses, or the release of radionuclides from nuclear melt glass, we measured the specific surface area of natural and manmade glasses as a function of particle size, morphology, and composition. Volcanic ash, volcanic tuff, tektites, obsidian glass, and in situ vitrified rock were analyzed. Specific surface area estimates were obtained using krypton as gas adsorbent and the BET model. The range of surface areas measured exceeded three orders of magnitude. A tektite sample had the highest surface area (1.65 m2/g), while one of the samples of in situ vitrified rock had the lowest surf ace area (0.0016 m2/g). The specific surface area of the samples was a function of particle size, decreasing with increasing particle size. Different types of materials, however, showed variable dependence on particle size, and could be assigned to one of three distinct groups: (1) samples with low surface area dependence on particle size and surface areas approximately two orders of magnitude higher than the surface area of smooth spheres of equivalent size. The specific surface area of these materials was attributed mostly to internal porosity and surface roughness. (2) samples that showed a trend of decreasing surface area dependence on particle size as the particle size increased. The minimum specific surface area of these materials was between 0.1 and 0.01 m2/g and was also attributed to internal porosity and surface roughness. (3) samples whose surface area showed a monotonic decrease with increasing particle size, never reaching an ultimate surface area limit within the particle

Number of perceptually distinct surface colors in natural scenes.

Science.gov (United States)

Marín-Franch, Iván; Foster, David H

2010-09-30

The ability to perceptually identify distinct surfaces in natural scenes by virtue of their color depends not only on the relative frequency of surface colors but also on the probabilistic nature of observer judgments. Previous methods of estimating the number of discriminable surface colors, whether based on theoretical color gamuts or recorded from real scenes, have taken a deterministic approach. Thus, a three-dimensional representation of the gamut of colors is divided into elementary cells or points which are spaced at one discrimination-threshold unit intervals and which are then counted. In this study, information-theoretic methods were used to take into account both differing surface-color frequencies and observer response uncertainty. Spectral radiances were calculated from 50 hyperspectral images of natural scenes and were represented in a perceptually almost uniform color space. The average number of perceptually distinct surface colors was estimated as 7.3 × 10(3), much smaller than that based on counting methods. This number is also much smaller than the number of distinct points in a scene that are, in principle, available for reliable identification under illuminant changes, suggesting that color constancy, or the lack of it, does not generally determine the limit on the use of color for surface identification.

Defining mental disorder. Exploring the 'natural function' approach.

Science.gov (United States)

Varga, Somogy

2011-01-21

Due to several socio-political factors, to many psychiatrists only a strictly objective definition of mental disorder, free of value components, seems really acceptable. In this paper, I will explore a variant of such an objectivist approach to defining metal disorder, natural function objectivism. Proponents of this approach make recourse to the notion of natural function in order to reach a value-free definition of mental disorder. The exploration of Christopher Boorse's 'biostatistical' account of natural function (1) will be followed an investigation of the 'hybrid naturalism' approach to natural functions by Jerome Wakefield (2). In the third part, I will explore two proposals that call into question the whole attempt to define mental disorder (3). I will conclude that while 'natural function objectivism' accounts fail to provide the backdrop for a reliable definition of mental disorder, there is no compelling reason to conclude that a definition cannot be achieved.

Work Function of Oxide Ultrathin Films on the Ag(100) Surface.

Science.gov (United States)

Sementa, Luca; Barcaro, Giovanni; Negreiros, Fabio R; Thomas, Iorwerth O; Netzer, Falko P; Ferrari, Anna Maria; Fortunelli, Alessandro

2012-02-14

Theoretical calculations of the work function of monolayer (ML) and bilayer (BL) oxide films on the Ag(100) surface are reported and analyzed as a function of the nature of the oxide for first-row transition metals. The contributions due to charge compression, charge transfer and rumpling are singled out. It is found that the presence of empty d-orbitals in the oxide metal can entail a charge flow from the Ag(100) surface to the oxide film which counteracts the decrease in the work function due to charge compression. This flow can also depend on the thickness of the film and be reduced in passing from ML to BL systems. A regular trend is observed along first-row transition metals, exhibiting a maximum for CuO, in which the charge flow to the oxide is so strong as to reverse the direction of rumpling. A simple protocol to estimate separately the contribution due to charge compression is discussed, and the difference between the work function of the bare metal surface and a Pauling-like electronegativity of the free oxide slabs is used as a descriptor quantity to predict the direction of charge transfer.

Probability distribution for the Gaussian curvature of the zero level surface of a random function

Science.gov (United States)

Hannay, J. H.

2018-04-01

A rather natural construction for a smooth random surface in space is the level surface of value zero, or ‘nodal’ surface f(x,y,z)  =  0, of a (real) random function f; the interface between positive and negative regions of the function. A physically significant local attribute at a point of a curved surface is its Gaussian curvature (the product of its principal curvatures) because, when integrated over the surface it gives the Euler characteristic. Here the probability distribution for the Gaussian curvature at a random point on the nodal surface f  =  0 is calculated for a statistically homogeneous (‘stationary’) and isotropic zero mean Gaussian random function f. Capitalizing on the isotropy, a ‘fixer’ device for axes supplies the probability distribution directly as a multiple integral. Its evaluation yields an explicit algebraic function with a simple average. Indeed, this average Gaussian curvature has long been known. For a non-zero level surface instead of the nodal one, the probability distribution is not fully tractable, but is supplied as an integral expression.

Surface functionalization of bioactive glasses with natural molecules of biological significance, Part I: Gallic acid as model molecule

Science.gov (United States)

Zhang, Xin; Ferraris, Sara; Prenesti, Enrico; Verné, Enrica

2013-12-01

Gallic acid (3,4,5-trihydroxybenzoic acid, GA) and its derivatives are a group of biomolecules (polyphenols) obtained from plants. They have effects which are potentially beneficial to heath, for example they are antioxidant, anticarcinogenic and antibacterial, as recently investigated in many fields such as medicine, food and plant sciences. The main drawbacks of these molecules are both low stability and bioavailability. In this research work the opportunity to graft GA to bioactive glasses is investigated, in order to deliver the undamaged biological molecule into the body, using the biomaterial surfaces as a localized carrier. GA was considered for functionalization since it is a good model molecule for polyphenols and presents several interesting biological activities, like antibacterial, antioxidant and anticarcinogenic properties. Two different silica based bioactive glasses (SCNA and CEL2), with different reactivity, were employed as substrates. UV photometry combined with the Folin&Ciocalteu reagent was adopted to test the concentration of GA in uptake solution after functionalization. This test verified how much GA consumption occurred with surface modification and it was also used on solid samples to test the presence of GA on functionalized glasses. XPS and SEM-EDS techniques were employed to characterize the modification of material surface properties and functional group composition before and after functionalization.

Defining mental disorder. Exploring the 'natural function' approach

Directory of Open Access Journals (Sweden)

Varga Somogy

2011-01-01

Full Text Available Abstract Due to several socio-political factors, to many psychiatrists only a strictly objective definition of mental disorder, free of value components, seems really acceptable. In this paper, I will explore a variant of such an objectivist approach to defining metal disorder, natural function objectivism. Proponents of this approach make recourse to the notion of natural function in order to reach a value-free definition of mental disorder. The exploration of Christopher Boorse's 'biostatistical' account of natural function (1 will be followed an investigation of the 'hybrid naturalism' approach to natural functions by Jerome Wakefield (2. In the third part, I will explore two proposals that call into question the whole attempt to define mental disorder (3. I will conclude that while 'natural function objectivism' accounts fail to provide the backdrop for a reliable definition of mental disorder, there is no compelling reason to conclude that a definition cannot be achieved.

Orthogonal functionalization of nanoporous substrates: control of 3D surface functionality.

Science.gov (United States)

Lazzara, Thomas D; Kliesch, Torben-Tobias; Janshoff, Andreas; Steinem, Claudia

2011-04-01

Anodic aluminum oxide (AAO) membranes with aligned, cylindrical, nonintersecting pores were selectively functionalized in order to create dual-functionality substrates with different pore-rim and pore-interior surface functionalities, using silane chemistry. We used a two-step process involving an evaporated thin gold film to protect the underlying surface functionality of the pore rims. Subsequent treatment with oxygen plasma of the modified AAO membrane removed the unprotected organic functional groups, i.e., the pore-interior surface. After gold removal, the substrate became optically transparent, and displayed two distinct surface functionalities, one at the pore-rim surface and another at the pore-interior surface. We achieved a selective hydrophobic functionalization with dodecyl-trichlorosilane of either the pore rims or the pore interiors. The deposition of planar lipid membranes on the functionalized areas by addition of small unilamellar vesicles occurred in a predetermined fashion. Small unilamellar vesicles only ruptured upon contact with the hydrophobic substrate regions forming solid supported hybrid bilayers. In addition, pore-rim functionalization with dodecyl-trichlorosilane allowed the formation of pore-spanning hybrid lipid membranes as a result of giant unilamellar vesicle rupture. Confocal laser scanning microscopy was employed to identify the selective spatial localization of the adsorbed fluorescently labeled lipids. The corresponding increase in the AAO refractive index due to lipid adsorption on the hydrophobic regions was monitored by optical waveguide spectroscopy. This simple orthogonal functionalization route is a promising method to control the three-dimensional surface functionality of nanoporous films. © 2011 American Chemical Society

Atomic force microscopy characterization of the surface wettability of natural fibres

International Nuclear Information System (INIS)

Pietak, Alexis; Korte, Sandra; Tan, Emelyn; Downard, Alison; Staiger, Mark P.

2007-01-01

Natural fibres represent a readily available source of ecologically friendly and inexpensive reinforcement in composites with degradable thermoplastics, however chemical treatments of fibres are required to prepare feasible composites. It is desirable to characterize the surface wettability of fibres after chemical treatment as the polarity of cellulose-based fibres influences compatibility with a polymer matrix. Assessment of the surface wettability of natural fibres using conventional methods presents a challenge as the surfaces are morphologically and chemically heterogeneous, rough, and can be strongly wicking. In this work it is shown that under atmospheric conditions the adhesion force between an atomic force microscopy (AFM) tip and the fibre surface can estimate the water contact angle and surface wettability of the fibre. AFM adhesion force measurements are suitable for the more difficult surfaces of natural fibres and in addition allow for correlations between microstructural features and surface wettability characteristics

Bio-Inspired Functional Surfaces Based on Laser-Induced Periodic Surface Structures.

Science.gov (United States)

Müller, Frank A; Kunz, Clemens; Gräf, Stephan

2016-06-15

Nature developed numerous solutions to solve various technical problems related to material surfaces by combining the physico-chemical properties of a material with periodically aligned micro/nanostructures in a sophisticated manner. The utilization of ultra-short pulsed lasers allows mimicking numerous of these features by generating laser-induced periodic surface structures (LIPSS). In this review paper, we describe the physical background of LIPSS generation as well as the physical principles of surface related phenomena like wettability, reflectivity, and friction. Then we introduce several biological examples including e.g., lotus leafs, springtails, dessert beetles, moth eyes, butterfly wings, weevils, sharks, pangolins, and snakes to illustrate how nature solves technical problems, and we give a comprehensive overview of recent achievements related to the utilization of LIPSS to generate superhydrophobic, anti-reflective, colored, and drag resistant surfaces. Finally, we conclude with some future developments and perspectives related to forthcoming applications of LIPSS-based surfaces.

Bio-Inspired Functional Surfaces Based on Laser-Induced Periodic Surface Structures

Directory of Open Access Journals (Sweden)

Frank A. Müller

2016-06-01

Full Text Available Nature developed numerous solutions to solve various technical problems related to material surfaces by combining the physico-chemical properties of a material with periodically aligned micro/nanostructures in a sophisticated manner. The utilization of ultra-short pulsed lasers allows mimicking numerous of these features by generating laser-induced periodic surface structures (LIPSS. In this review paper, we describe the physical background of LIPSS generation as well as the physical principles of surface related phenomena like wettability, reflectivity, and friction. Then we introduce several biological examples including e.g., lotus leafs, springtails, dessert beetles, moth eyes, butterfly wings, weevils, sharks, pangolins, and snakes to illustrate how nature solves technical problems, and we give a comprehensive overview of recent achievements related to the utilization of LIPSS to generate superhydrophobic, anti-reflective, colored, and drag resistant surfaces. Finally, we conclude with some future developments and perspectives related to forthcoming applications of LIPSS-based surfaces.

Functionalized polymer film surfaces via surface-initiated atom transfer radical polymerization

International Nuclear Information System (INIS)

Hu, Y.; Li, J.S.; Yang, W.T.; Xu, F.J.

2013-01-01

The ability to manipulate and control the surface properties of polymer films, without altering the substrate properties, is crucial to their wide-spread applications. In this work, a simple one-step method for the direct immobilization of benzyl chloride groups (as the effective atom transfer radical polymerization (ATRP) initiators) on the polymer films was developed via benzophenone-induced coupling of 4-vinylbenzyl chloride (VBC). Polyethylene (PE) and nylon films were selected as examples of polymer films to illustrate the functionalization of film surfaces via surface-initiated ATRP. Functional polymer brushes of (2-dimethylamino)ethyl methacrylate, sodium 4-styrenesulfonate, 2-hydroxyethyl methacrylate and glycidyl methacrylate, as well as their block copolymer brushes, have been prepared via surface-initiated ATRP from the VBC-coupled PE or nylon film surfaces. With the development of a simple approach to the covalent immobilization of ATRP initiators on polymer film surfaces and the inherent versatility of surface-initiated ATRP, the surface functionality of polymer films can be precisely tailored. - Highlights: ► Atom transfer radical polymerization initiators were simply immobilized. ► Different functional polymer brushes were readily prepared. ► Their block copolymer brushes were also readily prepared

Superhydrophobic Natural and Artificial Surfaces-A Structural Approach.

Science.gov (United States)

Avrămescu, Roxana-Elena; Ghica, Mihaela Violeta; Dinu-Pîrvu, Cristina; Prisada, Răzvan; Popa, Lăcrămioara

2018-05-22

Since ancient times humans observed animal and plants features and tried to adapt them according to their own needs. Biomimetics represents the foundation of many inventions from various fields: From transportation devices (helicopter, airplane, submarine) and flying techniques, to sports' wear industry (swimming suits, scuba diving gear, Velcro closure system), bullet proof vests made from Kevlar etc. It is true that nature provides numerous noteworthy models (shark skin, spider web, lotus leaves), referring both to the plant and animal kingdom. This review paper summarizes a few of "nature's interventions" in human evolution, regarding understanding of surface wettability and development of innovative special surfaces. Empirical models are described in order to reveal the science behind special wettable surfaces (superhydrophobic /superhydrophilic). Materials and methods used in order to artificially obtain special wettable surfaces are described in correlation with plants' and animals' unique features. Emphasis is placed on joining superhydrophobic and superhydrophilic surfaces, with important applications in cell culturing, microorganism isolation/separation and molecule screening techniques. Bio-inspired wettability is presented as a constitutive part of traditional devices/systems, intended to improve their characteristics and extend performances.

Innovative natural functional ingredients from microalgae.

Science.gov (United States)

Plaza, Merichel; Herrero, Miguel; Cifuentes, Alejandro; Ibáñez, Elena

2009-08-26

Nowadays, a wide variety of compounds such as polyphenols, polyunsaturated fatty acids (PUFA), or phytosterols obtained, for example, from wine, fish byproducts, or plants are employed to prepare new functional foods. However, unexplored natural sources of bioactive ingredients are gaining much attention since they can lead to the discovery of new compounds or bioactivities. Microalgae have been proposed as an interesting, almost unlimited, natural source in the search for novel natural functional ingredients, and several works have shown the possibility to find bioactive compounds in these organisms. Some advantages can be associated with the study of microalgae such as their huge diversity, the possibility of being used as natural reactors at controlled conditions, and their ability to produce active secondary metabolites to defend themselves from adverse or extreme conditions. In this contribution, an exhaustive revision is presented involving the research for innovative functional food ingredients from microalgae. The most interesting results in this promising field are discussed including new species composition and bioactivity and new processing and extraction methods. Moreover, the future research trends are critically commented.

Surface properties of functional polymer systems

Science.gov (United States)

Wong, Derek

Polymer surface modification typically involves blending with other polymers or chemical modification of the parent polymer. Such strategies inevitably result in polymer systems that are spatially and chemically heterogeneous, and which exhibit the phenomenon of surface segregation. This work investigates the effects of chain architecture on the surface segregation behavior of such functionally modified polymers using a series of end- and center-fluorinated poly(D,L-lactide). Surface segregation of the fluorinated functional groups was observed in both chain architectures via AMPS and water contact angle. Higher surface segregation was noted for functional groups located at the chain end as opposed to those in the middle of the chain. A self-consistent mean-field lattice theory was used to model the composition depth profiles of functional groups and excellent agreement was found between the model predictions and the experimental AMPS data in both chain architectures. Polymer properties are also in general dependent on both time and temperature, and exhibit a range of relaxation times in response to environmental stimuli. This behavior arises from the characteristic frequencies of molecular motions of the polymer chain and the interrelationship between time and temperature has been widely established for polymer bulk properties. There is evidence that surface properties also respond in a manner that is time and temperature dependent and that this dependence may not be the same as that observed for bulk properties. AMPS and water contact angle experiments were used to investigate the surface reorganization behavior of functional groups using a series of anionically synthesized end-fluorinated and end-carboxylated poly(styrene). It was found that both types of functional end-groups reorganized upon a change in the polarity of the surface environment in order to minimize the surface free energy. ADXPS and contact angle results suggest that the reorganization depth was

Functionalization of Block Copolymer Vesicle Surfaces

Directory of Open Access Journals (Sweden)

Wolfgang Meier

2011-01-01

Full Text Available In dilute aqueous solutions certain amphiphilic block copolymers self-assemble into vesicles that enclose a small pool of water with a membrane. Such polymersomes have promising applications ranging from targeted drug-delivery devices, to biosensors, and nanoreactors. Interactions between block copolymer membranes and their surroundings are important factors that determine their potential biomedical applications. Such interactions are influenced predominantly by the membrane surface. We review methods to functionalize block copolymer vesicle surfaces by chemical means with ligands such as antibodies, adhesion moieties, enzymes, carbohydrates and fluorophores. Furthermore, surface-functionalization can be achieved by self-assembly of polymers that carry ligands at their chain ends or in their hydrophilic blocks. While this review focuses on the strategies to functionalize vesicle surfaces, the applications realized by, and envisioned for, such functional polymersomes are also highlighted.

Bio-inspired functional surfaces for advanced applications

DEFF Research Database (Denmark)

Malshe, Ajay; Rajurkar, Kamlakar; Samant, Anoop

2013-01-01

, are being evolved to a higher state of intelligent functionality. These surfaces became more efficient by using combinations of available materials, along with unique physical and chemical strategies. Noteworthy physical strategies include features such as texturing and structure, and chemical strategies...... such as sensing and actuation. These strategies collectively enable functional surfaces to deliver extraordinary adhesion, hydrophobicity, multispectral response, energy scavenging, thermal regulation, antibiofouling, and other advanced functions. Production industries have been intrigued with such biological...... surface strategies in order to learn clever surface architectures and implement those architectures to impart advanced functionalities into manufactured consumer products. This keynote paper delivers a critical review of such inspiring biological surfaces and their nonbiological product analogs, where...

Continuous Natural Fiber Reinforced Thermoplastic Composites by Fiber Surface Modification

Directory of Open Access Journals (Sweden)

Patcharat Wongsriraksa

2013-01-01

Full Text Available Continuous natural fiber reinforced thermoplastic materials are expected to replace inorganic fiber reinforced thermosetting materials. However, in the process of fabricating the composite, it is difficult to impregnate the thermoplastic resin into reinforcement fiber because of the high melt viscosity. Therefore, intermediate material, which allows high impregnation during molding, has been investigated for fabricating continuous fiber reinforced thermoplastic composite by aligning resin fiber alongside reinforcing fiber with braiding technique. This intermediate material has been called “microbraid yarn (MBY.” Moreover, it is well known that the interfacial properties between natural fiber and resin are low; therefore, surface treatment on continuous natural fiber was performed by using polyurethane (PU and flexible epoxy (FLEX to improve the interfacial properties. The effect of surface treatment on the mechanical properties of continuous natural fiber reinforced thermoplastic composites was examined. From these results, it was suggested that surface treatment by PU with low content could produce composites with better mechanical properties.

Analysis of the phonon surface specific heat using Green function techniques

International Nuclear Information System (INIS)

Silva Carrico, A. da; Albuquerque, E.L. de

1981-01-01

Green functions are derived for the displacement associated with acoustic vibrations in isotropic elastic media and used to evaluate the surface specific heat in the harmonic approximation. Only the low-temperature limit case is considered since, provided K sub(B) T/h is very small, the dispersion relation for the three acoustic branches can be replaced by its long-wavelenght form. The contributions of surface elastic waves of the Rayleigh and Love types are pointed out and their features discussed. The nature of the result and their relations to previous work in this field is also presented and discussed. (Author) [pt

Analysis of the phonon surface specific heat using Green function techniques

International Nuclear Information System (INIS)

Carrico, A.S.; Albuquerque, E.L.

1980-01-01

Green functions are derived for the displacement associated with acoustic vibrations in isotropic elastic media and used to evaluate the surface specific heat in the harmonic approximation. We consider only the low-temperature limit case since, provided K B 1/h is very samll, we can replace the dispersion relation for the three acoustic branches by its long-wavelenghts form. The contributions of surface elastic waves ot the Rayleigh and Love types are pointed out and their features discussed. The nature of the result and their relations to previous work in this field is also presented and discussed. (author) [pt

Nanoparticles in natural systems I: The effective reactive surface area of the natural oxide fraction in field samples.

NARCIS (Netherlands)

Hiemstra, T.; Antelo, J.; Rahnemaie, R.; Riemsdijk, van W.H.

2010-01-01

Information on the particle size and reactive surface area of natural samples is essential for the application of surface complexation models (SCM) to predict bioavailability, toxicity, and transport of elements in the natural environment. In addition, this information will be of great help to

Structural characteristics of surface-functionalized nitrogen-doped diamond-like carbon films and effective adjustment to cell attachment

Science.gov (United States)

Liu, Ai-Ping; Liu, Min; Yu, Jian-Can; Qian, Guo-Dong; Tang, Wei-Hua

2015-05-01

Nitrogen-doped diamond-like carbon (DLC:N) films prepared by the filtered cathodic vacuum arc technology are functionalized with various chemical molecules including dopamine (DA), 3-Aminobenzeneboronic acid (APBA), and adenosine triphosphate (ATP), and the impacts of surface functionalities on the surface morphologies, compositions, microstructures, and cell compatibility of the DLC:N films are systematically investigated. We demonstrate that the surface groups of DLC:N have a significant effect on the surface and structural properties of the film. The activity of PC12 cells depends on the particular type of surface functional groups of DLC:N films regardless of surface roughness and wettability. Our research offers a novel way for designing functionalized carbon films as tailorable substrates for biosensors and biomedical engineering applications. Project supported by the National Natural Science Foundation of China (Grant Nos. 51272237, 51272231, and 51010002) and the China Postdoctoral Science Foundation (Grant Nos. 2012M520063, 2013T60587, and Bsh1201016).

Surface modification of a natural zeolite by treatment with cold oxygen plasma: Characterization and application in water treatment

Science.gov (United States)

De Velasco-Maldonado, Paola S.; Hernández-Montoya, Virginia; Montes-Morán, Miguel A.; Vázquez, Norma Aurea-Rangel; Pérez-Cruz, Ma. Ana

2018-03-01

In the present work the possible surface modification of natural zeolite using cold oxygen plasma was studied. The sample with and without treatment was characterized using nitrogen adsorption isotherms at -196 °C, FT-IR spectroscopy, SEM/EDX analysis and X-Ray Diffraction. Additionally, the two samples were used for the removal of lead and acid, basic, reactive and food dyes in batch systems. The natural zeolite was found to be a mesoporous material with a low specific surface area (23 m2/g). X-ray patterns confirmed that clinoptilolite was the main crystal structure present in the natural zeolite. The molecular properties of dyes and the zeolitic structure were studied using molecular simulation, with the purpose to understand the adsorption mechanism. The results pointed out that only the roughness of the clinoptilolite was affected by the plasma treatment, whereas the specific surface area, chemical functionality and crystal structure remained constant. Finally, adsorption results confirmed that the plasma treatment had no significant effects on the dyes and lead retention capacities of the natural zeolite.

Overview on the Surface Functionalization Mechanism and Determination of Surface Functional Groups of Plasma Treated Carbon Nanotubes.

Science.gov (United States)

Saka, Cafer

2018-01-02

The use of carbon materials for many applications is due to the unique diversity of structures and properties ranging from chemical bonds between the carbon atoms of the materials to nanostructures, crystallite alignment, and microstructures. Carbon nanotubes and other nanoscale carbonaceous materials draw much attention due to their physical and chemical properties, such as high strength, high resistance to corrosion, electrical and thermal conductivity, stability and a qualified adsorbent. Carbon-based nanomaterials, which have a relatively large specific area and layered structure, can be used as an adsorbent for efficient removal of organic and inorganic contaminants. However, one of the biggest obstacles to the development of carbon-based nanomaterials adsorbents is insolubility and the lack of functional groups on the surface. There are several approaches to introduce functional groups on carbon nanotubes. One of these approaches, plasma applications, now has an important place in the creation of surface functional groups as a flexible, fast, and environmentally friendly method. This review focuses on recent information concerning the surface functionalization and modification of plasma treated carbon nanotube. This review considers the surface properties, advantages, and disadvantages of plasma-applied carbon nanotubes. It also examines the reaction mechanisms involved in the functional groups on the surface.

Response functions for crystals and surfaces, with applications to surface scattering

International Nuclear Information System (INIS)

Barker, J.A.; Steele, W.A.

1978-01-01

A general solution of the equations of forced motion of a harmonic crystal or other vibrating system with arbitrary time-dependent forces acting on the atoms is given. The solution is given in terms of dynamical 'response functions', for which expressions in terms of the normal mode frequencies and eigenvectors (polarization vectors) are given. Numerical calculations of the response functions are described for (111) and (100) surfaces of face-centered cubic crystals interacting with Lennard-Jones 6-12 potentials, and the qualitative features of the surface and bulk response functions are discussed. The use of these functions in problems of atomic scattering from surface is outlined, and convenient parametrized forms for this application are given. (Auth.)

Vicinal surfaces for functional nanostructures.

Science.gov (United States)

Tegenkamp, Christoph

2009-01-07

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF(2), MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior.

Vicinal surfaces for functional nanostructures

Energy Technology Data Exchange (ETDEWEB)

Tegenkamp, Christoph [Institut fuer Festkoerperphysik, Gottfried Wilhelm Leibniz Universitaet Hannover, Appelstrasse 2, D-30167 Hannover (Germany)], E-mail: tegenkamp@fkp.uni-hannover.de

2009-01-07

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF{sub 2}, MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior. (topical review)

Vicinal surfaces for functional nanostructures

International Nuclear Information System (INIS)

Tegenkamp, Christoph

2009-01-01

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF 2 , MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior. (topical review)

Highly Hydrophilic Thin-Film Composite Forward Osmosis Membranes Functionalized with Surface-Tailored Nanoparticles

KAUST Repository

Tiraferri, Alberto

2012-09-26

Thin-film composite polyamide membranes are state-of-the-art materials for membrane-based water purification and desalination processes, which require both high rejection of contaminants and high water permeabilities. However, these membranes are prone to fouling when processing natural waters and wastewaters, because of the inherent surface physicochemical properties of polyamides. The present work demonstrates the fabrication of forward osmosis polyamide membranes with optimized surface properties via facile and scalable functionalization with fine-tuned nanoparticles. Silica nanoparticles are coated with superhydrophilic ligands possessing functional groups that impart stability to the nanoparticles and bind irreversibly to the native carboxyl moieties on the membrane selective layer. The tightly tethered layer of nanoparticles tailors the surface chemistry of the novel composite membrane without altering the morphology or water/solute permeabilities of the membrane selective layer. Surface characterization and interfacial energy analysis confirm that highly hydrophilic and wettable membrane surfaces are successfully attained. Lower intermolecular adhesion forces are measured between the new membrane materials and model organic foulants, indicating the presence of a bound hydration layer at the polyamide membrane surface that creates a barrier for foulant adhesion. © 2012 American Chemical Society.

Kramers-Kronig transform for the surface energy loss function

International Nuclear Information System (INIS)

Tan, G.L.; DeNoyer, L.K.; French, R.H.; Guittet, M.J.; Gautier-Soyer, M.

2005-01-01

A new pair of Kramers-Kronig (KK) dispersion relationships for the transformation of surface energy loss function Im[-1/(ε + 1)] has been proposed. The validity of the new surface KK transform is confirmed, using both a Lorentz oscillator model and the surface energy loss functions determined from the experimental complex dielectric function of SrTiO 3 and tungsten metal. The interband transition strength spectra (J cv ) have been derived either directly from the original complex dielectric function or from the derived dielectric function obtained from the KK transform of the surface energy loss function. The original J cv trace and post-J cv trace overlapped together for the three modes, indicating that the new surface Kramers-Kronig dispersion relationship is valid for the surface energy loss function

Bone bonding at natural and biomaterial surfaces.

Science.gov (United States)

Davies, John E

2007-12-01

Bone bonding is occurring in each of us and all other terrestrial vertebrates throughout life at bony remodeling sites. The surface created by the bone-resorbing osteoclast provides a three-dimensionally complex surface with which the cement line, the first matrix elaborated during de novo bone formation, interdigitates and is interlocked. The structure and composition of this interfacial bony matrix has been conserved during evolution across species; and we have known for over a decade that this interfacial matrix can be recapitulated at a biomaterial surface implanted in bone, given appropriate healing conditions. No evidence has emerged to suggest that bone bonding to artificial materials is any different from this natural biological process. Given this understanding it is now possible to explain why bone-bonding biomaterials are not restricted to the calcium-phosphate-based bioactive materials as was once thought. Indeed, in the absence of surface porosity, calcium phosphate biomaterials are not bone bonding. On the contrary, non-bonding materials can be rendered bone bonding by modifying their surface topography. This paper argues that the driving force for bone bonding is bone formation by contact osteogenesis, but that this has to occur on a sufficiently stable recipient surface which has micron-scale surface topography with undercuts in the sub-micron scale-range.

Ultraviolet curing of acrylated liquid natural rubber for surface coating application

Directory of Open Access Journals (Sweden)

Kannikar Kwanming

2009-01-01

Full Text Available Ultraviolet curable acrylated liquid natural rubber was prepared by grafting of photosensitive molecule onto liquid natural rubber for surface coating application. The liquid natural rubber (LNR was firstly obtained by degradation of natural rubber latex with hydrogen peroxide and cobalt acetylacetonate at 65oC for 72 hrs. The preparation of acrylated natural rubber was carried out by the reaction of acrylic acid and epoxidized liquid natural rubber (ELNR prior obtained from LNR with formic acid and hydrogen peroxide in the ratio of 2:1 by weight in toluene at 80oC for 6, 9, 12, 18, and 24 hrs. It was found that the percentage of acrylate grafted onto liquid natural rubber depended on the reaction time. Surface coating was performed by using acrylated liquid natural rubber and 1,6-hexanediol diacrylate (HDDA or tripropylene glycol diacrylate (TPGDA as a crosslinker and Irgarcure 184 or Irgarcure 651 as a photoinitiator under UV exposure for 30, 60, and 90 seconds. The hardness test of cured products was investigated using the Pencil hardness test at pencil level of 2B to 6H. It was found that the highest hardness of surface coating was at pencil level of 4H for the product using TPGDA and Irgacure 651 in the ratio of 80:10 parts per hundred of rubber (phr. The cured products were able to resist to 2% H2SO4 and distilled water for more than 24 hrs.

Concatenation of electrochemical grafting with chemical or electrochemical modification for preparing electrodes with specific surface functionality

International Nuclear Information System (INIS)

Verma, Pallavi; Maire, Pascal; Novak, Petr

2011-01-01

Surface modified electrodes are used in electro-analysis, electro-catalysis, sensors, biomedical applications, etc. and could also be used in batteries. The properties of modified electrodes are determined by the surface functionality. Therefore, the steps involved in the surface modification of the electrodes to obtain specific functionality are of prime importance. We illustrate here bridging of two routes of surface modifications namely electrochemical grafting, and chemical or electrochemical reduction. First, by electrochemical grafting an organic moiety is covalently immobilized on the surface. Then, either by chemical or by electrochemical route the terminal functional group of the grafted moiety is transformed. Using the former route we prepared lithium alkyl carbonate (-O(CH 2 ) 3 OCO 2 Li) modified carbon with potential applications in batteries, and employing the latter we prepared phenyl hydroxyl amine (-C 6 H 4 NHOH) modified carbon which may find application in biosensors. Benzyl alcohol (-C 6 H 4 CH 2 OH) modified carbon was prepared by both chemical as well as electrochemical route. We report combinations of conjugating the two steps of surface modifications and show how the optimal route of terminal functional group modification depends on the chemical nature of the moiety attached to the surface in the electrochemical grafting step.

Concatenation of electrochemical grafting with chemical or electrochemical modification for preparing electrodes with specific surface functionality

Energy Technology Data Exchange (ETDEWEB)

Verma, Pallavi; Maire, Pascal [Paul Scherrer Institut, Electrochemistry Laboratory, Section Electrochemical Energy Storage, CH-5232 Villigen PSI (Switzerland); Novak, Petr, E-mail: petr.novak@psi.c [Paul Scherrer Institut, Electrochemistry Laboratory, Section Electrochemical Energy Storage, CH-5232 Villigen PSI (Switzerland)

2011-04-01

Surface modified electrodes are used in electro-analysis, electro-catalysis, sensors, biomedical applications, etc. and could also be used in batteries. The properties of modified electrodes are determined by the surface functionality. Therefore, the steps involved in the surface modification of the electrodes to obtain specific functionality are of prime importance. We illustrate here bridging of two routes of surface modifications namely electrochemical grafting, and chemical or electrochemical reduction. First, by electrochemical grafting an organic moiety is covalently immobilized on the surface. Then, either by chemical or by electrochemical route the terminal functional group of the grafted moiety is transformed. Using the former route we prepared lithium alkyl carbonate (-O(CH{sub 2}){sub 3}OCO{sub 2}Li) modified carbon with potential applications in batteries, and employing the latter we prepared phenyl hydroxyl amine (-C{sub 6}H{sub 4}NHOH) modified carbon which may find application in biosensors. Benzyl alcohol (-C{sub 6}H{sub 4}CH{sub 2}OH) modified carbon was prepared by both chemical as well as electrochemical route. We report combinations of conjugating the two steps of surface modifications and show how the optimal route of terminal functional group modification depends on the chemical nature of the moiety attached to the surface in the electrochemical grafting step.

Calculus on Surfaces with General Closest Point Functions

KAUST Repository

Mä rz, Thomas; Macdonald, Colin B.

2012-01-01

The closest point method for solving partial differential equations (PDEs) posed on surfaces was recently introduced by Ruuth and Merriman [J. Comput. Phys., 227 (2008), pp. 1943- 1961] and successfully applied to a variety of surface PDEs. In this paper we study the theoretical foundations of this method. The main idea is that surface differentials of a surface function can be replaced with Cartesian differentials of its closest point extension, i.e., its composition with a closest point function. We introduce a general class of these closest point functions (a subset of differentiable retractions), show that these are exactly the functions necessary to satisfy the above idea, and give a geometric characterization of this class. Finally, we construct some closest point functions and demonstrate their effectiveness numerically on surface PDEs. © 2012 Society for Industrial and Applied Mathematics.

H4: A challenging system for natural orbital functional approximations

International Nuclear Information System (INIS)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-01-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D 2h to D 4h symmetry in H 4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H 4 D 4h /D 2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D 2h –D 4h transition of H 4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H 4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices

H4: A challenging system for natural orbital functional approximations

Science.gov (United States)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-10-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D2h to D4h symmetry in H4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H4 D4h/D2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D2h-D4h transition of H4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices.

Surface energy and work function of elemental metals

DEFF Research Database (Denmark)

Skriver, Hans Lomholt; Rosengaard, N. M.

1992-01-01

and noble metals, as derived from the surface tension of liquid metals. In addition, they give work functions which agree with the limited experimental data obtained from single crystals to within 15%, and explain the smooth behavior of the experimental work functions of polycrystalline samples......We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...

Ultraviolet curing of acrylated liquid natural rubber for surface coating application

OpenAIRE

Kannikar Kwanming; Pairote Klinpituksa; Wae-asae Waehamad

2009-01-01

Ultraviolet curable acrylated liquid natural rubber was prepared by grafting of photosensitive molecule onto liquid natural rubber for surface coating application. The liquid natural rubber (LNR) was firstly obtained by degradation of natural rubber latex with hydrogen peroxide and cobalt acetylacetonate at 65oC for 72 hrs. The preparation of acrylated natural rubber was carried out by the reaction of acrylic acid and epoxidized liquid natural rubber (ELNR) prior obtained from LNR with formic...

Characterization of technical surfaces by structure function analysis

Science.gov (United States)

Kalms, Michael; Kreis, Thomas; Bergmann, Ralf B.

2018-03-01

The structure function is a tool for characterizing technical surfaces that exhibits a number of advantages over Fourierbased analysis methods. So it is optimally suited for analyzing the height distributions of surfaces measured by full-field non-contacting methods. The structure function is thus a useful method to extract global or local criteria like e. g. periodicities, waviness, lay, or roughness to analyze and evaluate technical surfaces. After the definition of line- and area-structure function and offering effective procedures for their calculation this paper presents examples using simulated and measured data of technical surfaces including aircraft parts.

Diamond surface functionalization with biomimicry – Amine surface tether and thiol moiety for electrochemical sensors

Energy Technology Data Exchange (ETDEWEB)

Sund, James B., E-mail: jim@jamessund.com [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Causey, Corey P. [Departments of Chemistry and Biochemistry, Duke University, Durham, NC (United States); Wolter, Scott D. [Department of Physics, Elon University, Elon, NC 27244 (United States); Parker, Charles B., E-mail: charles.parker@duke.edu [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Stoner, Brian R. [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Research Triangle Institute (RTI) International, Research Triangle Park, NC (United States); Toone, Eric J. [Departments of Chemistry and Biochemistry, Duke University, Durham, NC (United States); Glass, Jeffrey T. [Department of Electrical and Computer Engineering, Duke University, Durham, NC (United States)

2014-05-01

Highlights: • Diamond surfaces were functionalized with organic molecules using a novel approach. • Used biomimicry to select a molecule to bind NO, similar to the human body. • Molecular orbital theory predicted the molecule-analyte oxidation behavior. • A thiol moiety was attached to an amine surface tether on the diamond surface. • XPS analysis verified each surface functionalization step. - Abstract: The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen–oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis.

Diamond surface functionalization with biomimicry – Amine surface tether and thiol moiety for electrochemical sensors

International Nuclear Information System (INIS)

Sund, James B.; Causey, Corey P.; Wolter, Scott D.; Parker, Charles B.; Stoner, Brian R.; Toone, Eric J.; Glass, Jeffrey T.

2014-01-01

Highlights: • Diamond surfaces were functionalized with organic molecules using a novel approach. • Used biomimicry to select a molecule to bind NO, similar to the human body. • Molecular orbital theory predicted the molecule-analyte oxidation behavior. • A thiol moiety was attached to an amine surface tether on the diamond surface. • XPS analysis verified each surface functionalization step. - Abstract: The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen–oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis

Nanoparticle Surface Functionality Dictates Cellular and Systemic Toxicity

DEFF Research Database (Denmark)

Saei, Amir Ata; Yazdani, Mahdieh; Lohse, Samuel E.

2017-01-01

can greatly enhance subsequent therapeutic effects of NPs while diminishing their adverse side effects. In this review, we will focus on the effect of surface functionality on the cellular uptake and the transport of NPs by various subcellular processes.......Engineered nanoparticles (NPs) have opened new frontiers in therapeutics and diagnostics in recent years. The surface functionality of these nanoparticles often predominates their interactions with various biological components of human body, and proper selection or control of surface functionality...

Natural variability in the surface ocean carbonate ion concentration

OpenAIRE

N. S. Lovenduski; M. C. Long; K. Lindsay

2015-01-01

We investigate variability in the surface ocean carbonate ion concentration ([CO32−]) on the basis of a long control simulation with a fully-coupled Earth System Model. The simulation is run with a prescribed, pre-industrial atmospheric CO2 concentration for 1000 years, permitting investigation of natural [CO32−] variability on interannual to multi-decadal timescales. We find high interannual variability in surface [CO32−] in the tropical...

Natural variability in the surface ocean carbonate ion concentration

OpenAIRE

Lovenduski, N. S.; Long, M. C.; Lindsay, K.

2015-01-01

We investigate variability in the surface ocean carbonate ion concentration ([CO32−]) on the basis of a~long control simulation with an Earth System Model. The simulation is run with a prescribed, pre-industrial atmospheric CO2 concentration for 1000 years, permitting investigation of natural [CO32−] variability on interannual to multi-decadal timescales. We find high interannual variability in surface [CO32−] in the tropical Pacific and ...

Bioactive glass coupling with natural polyphenols: Surface modification, bioactivity and anti-oxidant ability

Energy Technology Data Exchange (ETDEWEB)

Cazzola, Martina [Politecnico di Torino, Department of Applied Science and Technology, Institute of Materials Physics and Engineering, C.so Duca degli Abruzzi 24, Torino 10129 (Italy); Corazzari, Ingrid [Università degli Studi di Torino, Department of Chemistry, Via Pietro Giuria 7, Torino 10125 (Italy); Centro Interdipartimentale “G. Scansetti” per lo studio degli amianti e di altri particolati nocivi, Via Pietro Giuria 9, 10125 Torino (Italy); Prenesti, Enrico [Università degli Studi di Torino, Department of Chemistry, Via Pietro Giuria 7, Torino 10125 (Italy); Bertone, Elisa [Politecnico di Torino, Department of Applied Science and Technology, Institute of Materials Physics and Engineering, C.so Duca degli Abruzzi 24, Torino 10129 (Italy); Vernè, Enrica, E-mail: enrica.verne@polito.it [Politecnico di Torino, Department of Applied Science and Technology, Institute of Materials Physics and Engineering, C.so Duca degli Abruzzi 24, Torino 10129 (Italy); Ferraris, Sara [Politecnico di Torino, Department of Applied Science and Technology, Institute of Materials Physics and Engineering, C.so Duca degli Abruzzi 24, Torino 10129 (Italy)

2016-03-30

Graphical abstract: - Highlights: • Surface functionalization of bioactive glass with biomolecules has been optimized. • Biomolecules are present and active on the glass surface after functionalization. • Biomolecules affect deposition kinetics and morphology of hydroxyapatite. • Free radical scavenging activity is seen for the first time on bioactive glasses. - Abstract: Polyphenols are actually achieving an increasing interest due to their potential health benefits, such as antioxidant, anticancer, antibacterial and bone stimulation abilities. However their poor bioavailability and stability hamper an effective clinical application as therapeutic principles. The opportunity to couple these biomolecules with synthetic biomaterials, in order to obtain local delivery at the site of interest, improve their bioavailability and stability and combine their properties with the ones of the substrate, is a challenging opportunity for the biomedical research. A silica based bioactive glass, CEL2, has been successfully coupled with gallic acid and natural polyphenols extracted from red grape skins and green tea leaves. The effectiveness of grafting has been verified by means of XPS analyses and the Folin&Ciocalteu tests. In vitro bioactivity has been investigated by soaking in simulated body fluid (SBF). Surface modification after functionalization and early stage reactivity in SBF have been studied by means of zeta potential electrokinetic measurements in KCl and SBF. Finally the antioxidant properties of bare and modified bioactive glasses has been investigated by means of the evaluation of free radical scavenging activity by Electron Paramagnetic Resonance (EPR)/spin trapping technique after UV photolysis of H{sub 2}O{sub 2} highlighting scavenging activity of the bioactive glass.

Natural emulsifiers - Biosurfactants, phospholipids, biopolymers, and colloidal particles: Molecular and physicochemical basis of functional performance.

Science.gov (United States)

McClements, David Julian; Gumus, Cansu Ekin

2016-08-01

There is increasing consumer pressure for commercial products that are more natural, sustainable, and environmentally friendly, including foods, cosmetics, detergents, and personal care products. Industry has responded by trying to identify natural alternatives to synthetic functional ingredients within these products. The focus of this review article is on the replacement of synthetic surfactants with natural emulsifiers, such as amphiphilic proteins, polysaccharides, biosurfactants, phospholipids, and bioparticles. In particular, the physicochemical basis of emulsion formation and stabilization by natural emulsifiers is discussed, and the benefits and limitations of different natural emulsifiers are compared. Surface-active polysaccharides typically have to be used at relatively high levels to produce small droplets, but the droplets formed are highly resistant to environmental changes. Conversely, surface-active proteins are typically utilized at low levels, but the droplets formed are highly sensitive to changes in pH, ionic strength, and temperature. Certain phospholipids are capable of producing small oil droplets during homogenization, but again the droplets formed are highly sensitive to changes in environmental conditions. Biosurfactants (saponins) can be utilized at low levels to form fine oil droplets that remain stable over a range of environmental conditions. Some nature-derived nanoparticles (e.g., cellulose, chitosan, and starch) are effective at stabilizing emulsions containing relatively large oil droplets. Future research is encouraged to identify, isolate, purify, and characterize new types of natural emulsifier, and to test their efficacy in food, cosmetic, detergent, personal care, and other products. Copyright © 2016 Elsevier B.V. All rights reserved.

Surface protection in bio-shields via a functional soft skin layer: Lessons from the turtle shell.

Science.gov (United States)

Shelef, Yaniv; Bar-On, Benny

2017-09-01

The turtle shell is a functional bio-shielding element, which has evolved naturally to provide protection against predator attacks that involve biting and clawing. The near-surface architecture of the turtle shell includes a soft bi-layer skin coating - rather than a hard exterior - which functions as a first line of defense against surface damage. This architecture represents a novel type of bio-shielding configuration, namely, an inverse structural-mechanical design, rather than the hard-coated bio-shielding elements identified so far. In the current study, we used experimentally based structural modeling and FE simulations to analyze the mechanical significance of this unconventional protection architecture in terms of resistance to surface damage upon extensive indentations. We found that the functional bi-layer skin of the turtle shell, which provides graded (soft-softer-hard) mechanical characteristics to the bio-shield exterior, serves as a bumper-buffer mechanism. This material-level adaptation protects the inner core from the highly localized indentation loads via stress delocalization and extensive near-surface plasticity. The newly revealed functional bi-layer coating architecture can potentially be adapted, using synthetic materials, to considerably enhance the surface load-bearing capabilities of various engineering configurations. Copyright © 2017 Elsevier Ltd. All rights reserved.

Functionalized Natural Carbon-Supported Nanoparticles as Excellent Catalysts for Hydrocarbon Production.

Science.gov (United States)

Sun, Jian; Guo, Lisheng; Ma, Qingxiang; Gao, Xinhua; Yamane, Noriyuki; Xu, Hengyong; Tsubaki, Noritatsu

2017-02-01

We report a one-pot and eco-friendly synthesis of carbon-supported cobalt nanoparticles, achieved by carbonization of waste biomass (rice bran) with a cobalt source. The functionalized biomass provides carbon microspheres as excellent catalyst support, forming a unique interface between hydrophobic and hydrophilic groups. The latter, involving hydroxyl and amino groups, can catch much more active cobalt nanoparticles on surface for Fischer-Tropsch synthesis than chemical carbon. The loading amount of cobalt on the final catalyst is much higher than that prepared with a chemical carbon source, such as glucose. The proposed concept of using a functionalized natural carbon source shows great potential compared with conventional carbon sources, and will be meaningful for other fields concerning carbon support, such as heterogeneous catalysis or electrochemical fields. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

SURFACE TEXTURE ANALYSIS FOR FUNCTIONALITY CONTROL

DEFF Research Database (Denmark)

De Chiffre, Leonardo; Andreasen, Jan Lasson; Tosello, Guido

This document is used in connection with three exercises of 3 hours duration as a part of the course VISION ONLINE – One week course on Precision & Nanometrology. The exercises concern surface texture analysis for functionality control, in connection with three different case stories. This docume...... contains a short description of each case story, 3-D roughness parameters analysis and relation with the product’s functionality.......This document is used in connection with three exercises of 3 hours duration as a part of the course VISION ONLINE – One week course on Precision & Nanometrology. The exercises concern surface texture analysis for functionality control, in connection with three different case stories. This document...

Surface Functionalization of Thin-Film Composite Membranes with Copper Nanoparticles for Antimicrobial Surface Properties

KAUST Repository

Ben-Sasson, Moshe

2014-01-07

Biofouling is a major operational challenge in reverse osmosis (RO) desalination, motivating a search for improved biofouling control strategies. Copper, long known for its antibacterial activity and relatively low cost, is an attractive potential biocidal agent. In this paper, we present a method for loading copper nanoparticles (Cu-NPs) on the surface of a thin-film composite (TFC) polyamide RO membrane. Cu-NPs were synthesized using polyethyleneimine (PEI) as a capping agent, resulting in particles with an average radius of 34 nm and a copper content between 39 and 49 wt.%. The positive charge of the Cu-NPs imparted by the PEI allowed a simple electrostatic functionalization of the negatively charged RO membrane. We confirmed functionalization and irreversible binding of the Cu-NPs to the membrane surface with SEM and XPS after exposing the membrane to bath sonication. We also demonstrated that Cu-NP functionalization can be repeated after the Cu-NPs dissolve from the membrane surface. The Cu-NP functionalization had minimal impact on the intrinsic membrane transport parameters. Surface hydrophilicity and surface roughness were also maintained, and the membrane surface charge became positive after functionalization. The functionalized membrane exhibited significant antibacterial activity, leading to an 80-95% reduction in the number of attached live bacteria for three different model bacterial strains. Challenges associated with this functionalization method and its implementation in RO desalination are discussed. © 2013 American Chemical Society.

Surface Functionalization of Thin-Film Composite Membranes with Copper Nanoparticles for Antimicrobial Surface Properties

KAUST Repository

Ben-Sasson, Moshe; Zodrow, Katherine R.; Genggeng, Qi; Kang, Yan; Giannelis, Emmanuel P.; Elimelech, Menachem

2014-01-01

Biofouling is a major operational challenge in reverse osmosis (RO) desalination, motivating a search for improved biofouling control strategies. Copper, long known for its antibacterial activity and relatively low cost, is an attractive potential biocidal agent. In this paper, we present a method for loading copper nanoparticles (Cu-NPs) on the surface of a thin-film composite (TFC) polyamide RO membrane. Cu-NPs were synthesized using polyethyleneimine (PEI) as a capping agent, resulting in particles with an average radius of 34 nm and a copper content between 39 and 49 wt.%. The positive charge of the Cu-NPs imparted by the PEI allowed a simple electrostatic functionalization of the negatively charged RO membrane. We confirmed functionalization and irreversible binding of the Cu-NPs to the membrane surface with SEM and XPS after exposing the membrane to bath sonication. We also demonstrated that Cu-NP functionalization can be repeated after the Cu-NPs dissolve from the membrane surface. The Cu-NP functionalization had minimal impact on the intrinsic membrane transport parameters. Surface hydrophilicity and surface roughness were also maintained, and the membrane surface charge became positive after functionalization. The functionalized membrane exhibited significant antibacterial activity, leading to an 80-95% reduction in the number of attached live bacteria for three different model bacterial strains. Challenges associated with this functionalization method and its implementation in RO desalination are discussed. © 2013 American Chemical Society.

Toward tuning the surface functionalization of small ceria nanoparticles

International Nuclear Information System (INIS)

Huang, Xing; Wang, Binghui; Grulke, Eric A.; Beck, Matthew J.

2014-01-01

Understanding and controlling the performance of ceria nanoparticle (CNP) catalysts requires knowledge of the detailed structure and property of CNP surfaces and any attached functional groups. Here we report thermogravimetric analysis results showing that hydrothermally synthesized ∼30 nm CNPs are decorated with 12.9 hydroxyl groups per nm 2 of CNP surface. Quantum mechanical calculations of the density and distribution of bound surface groups imply a scaling relationship for surface group density that balances formal charges in the functionalized CNP system. Computational results for CNPs with only hydroxyl surface groups yield a predicted density of bound hydroxyl groups for ∼30 nm CNPs that is ∼33% higher than measured densities. Quantitative agreement between predicted and measured hydroxyl surface densities is achieved when calculations consider CNPs with both –OH and –O x surface groups. For this more general treatment of CNP surface functionalizations, quantum mechanical calculations predict a range of stable surface group configurations that depend on the chemical potentials of O and H, and demonstrate the potential to tune CNP surface functionalizations by varying temperature and/or partial pressures of O 2 and H 2 O

Orientations of Liquid Crystals in Contact with Surfaces that Present Continuous Gradients of Chemical Functionality

International Nuclear Information System (INIS)

Clare, B.; Efimenko, K.; Fischer, D.; Genzer, J.; Abbott, N.

2006-01-01

We report the formation of continuous spatial gradients in the density of grafted semifluorinated chains on silicon oxide surfaces by vapor-phase diffusion of semifluorinated silanes. We quantify the orientations of the nematic liquid crystal (LC) 4-cyano-4'-pentylbiphenyl on these surfaces as a function of local surface composition obtained by using NEXAFS. These measurements demonstrate that it is possible to obtain the full range of tilt angles of a LC on these surfaces. We also use the data provided by these gradient surfaces to test hypotheses regarding the nature of the interaction between the LC and surfaces that give rise to the range of tilted orientations of the LC. We conclude that the orientations of the LC are not determined solely by the density of grafted semifluorinated chains or by the density of residual hydroxyl groups presented at these surfaces following reactions with the silanes. Instead, our results raise the possibility that the tilt angles of the semifluorinated chains on these surfaces (which are a function of the density of the grafted chains) may influence the orientation of the LC. These results, when combined, demonstrate the potential utility of gradient surfaces for screening surface chemistries that achieve desired orientations of LCs as well as for rapidly assembling experimental data sets that can be used to test propositions regarding mechanisms of anchoring LCs at surfaces

Functional adhesive surfaces with “gecko” effect: the concept of contact splitting

NARCIS (Netherlands)

Kamperman, M.M.G.; Kroner, E.; Campo, del A.; McMeeking, R.M.; Arzt, E.

2010-01-01

Nature has developed reversibly adhesive surfaces whose stickiness has attracted much research attention over the last decade. The central lesson from nature is that “patterned” or “fibrillar” surfaces can produce higher adhesion forces to flat and rough substrates than smooth surfaces. This paper

Linking otolith microchemistry and surface water contamination from natural gas mining.

Science.gov (United States)

Keller, David H; Zelanko, Paula M; Gagnon, Joel E; Horwitz, Richard J; Galbraith, Heather S; Velinsky, David J

2018-09-01

Unconventional natural gas drilling and the use of hydraulic fracturing technology have expanded rapidly in North America. This expansion has raised concerns of surface water contamination by way of spills and leaks, which may be sporadic, small, and therefore difficult to detect. Here we explore the use of otolith microchemistry as a tool for monitoring surface water contamination from generated waters (GW) of unconventional natural gas drilling. We exposed Brook Trout in the laboratory to three volumetric concentrations of surrogate generated water (SGW) representing GW on day five of drilling. Transects across otolith cross-sections were analyzed for a suite of elements by LA-ICP-MS. Brook Trout exposed to a 0.01-1.0% concentration of SGW for 2, 15, and 30 days showed a significant (p waters and provide support for the use of this technique in natural habitats. To our knowledge, this is the first demonstration of how trace elements in fish otoliths may be used to monitor for surface water contamination from GW. Copyright © 2018 Elsevier Ltd. All rights reserved.

Selective functionalization of patterned glass surfaces

NARCIS (Netherlands)

Ploetz, E.; Visser, B.; Slingenbergh, W.; Evers, K.; Martinez-Martinez, D.; Pei, Y. T.; Feringa, B. L.; De Hosson, J. Th. M.; Cordes, T.; van Dorp, W. F.

2014-01-01

Tailored writing and specific positioning of molecules on nanostructures is a key step for creating functional materials and nano-optical devices, or interfaces for synthetic machines in various applications. We present a novel approach for the selective functionalization of patterned glass surfaces

Macromolecular surface design: photopatterning of functional stable nitrile oxides.

Science.gov (United States)

Altintas, Ozcan; Glassner, Mathias; Rodriguez-Emmenegger, Cesar; Welle, Alexander; Trouillet, Vanessa; Barner-Kowollik, Christopher

2015-05-04

The efficient trapping of photogenerated thioaldehydes with functional shelf-stable nitrile oxides in a 1,3-dipolar cycloaddition is a novel and versatile photochemical strategy for polymer end-group functionalization and surface modification under mild and equimolar conditions. The modular ligation in solution was followed in detail by electrospray ionization mass spectrometry (ESI-MS). X-ray photoelectron spectroscopy (XPS) was employed to analyze the functionalized surfaces, whereas time-of-flight secondary-ion mass spectrometry (ToF-SIMS) confirmed the spatial control of the surface functionalization using a micropatterned shadow mask. Polymer brushes were grown from the surface in a spatially confined regime by surface-initiated atom transfer radical polymerization (SI-ATRP) as confirmed by TOF-SIMS, XPS as well as ellipsometry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Implicit function with natural behavior over entire domain

International Nuclear Information System (INIS)

Itoh, Taku; Saitoh, Ayumu; Kamitani, Atsushi; Nakamura, Hiroaki

2012-01-01

To generate a smooth implicit function that behaves naturally over an entire domain, a method to smoothly combine an implicit function f(x) with a global support function g(x) has been proposed. The proposed method can be applied to large scattered point data, since the implicit function f(x) is generated by a partition-of-unity-based method. The global support function g(x) is generated by a radial basis function-based method or by the least-squares method. To ensure a smooth combination of f(x) and g(x), an appropriate weight function is employed. In numerical experiments, the proposed method is applied to large point data. The results illustrate that the proposed method can generate a smooth implicit function F(x) with natural behavior over the entire domain. In addition, on the given points, the accuracy of F(x) is exactly the same as that of f(x). Furthermore, the computational cost for generation of F(x) is almost the same as that of f(x). (author)

Hazard function theory for nonstationary natural hazards

Science.gov (United States)

Read, Laura K.; Vogel, Richard M.

2016-04-01

Impact from natural hazards is a shared global problem that causes tremendous loss of life and property, economic cost, and damage to the environment. Increasingly, many natural processes show evidence of nonstationary behavior including wind speeds, landslides, wildfires, precipitation, streamflow, sea levels, and earthquakes. Traditional probabilistic analysis of natural hazards based on peaks over threshold (POT) generally assumes stationarity in the magnitudes and arrivals of events, i.e., that the probability of exceedance of some critical event is constant through time. Given increasing evidence of trends in natural hazards, new methods are needed to characterize their probabilistic behavior. The well-developed field of hazard function analysis (HFA) is ideally suited to this problem because its primary goal is to describe changes in the exceedance probability of an event over time. HFA is widely used in medicine, manufacturing, actuarial statistics, reliability engineering, economics, and elsewhere. HFA provides a rich theory to relate the natural hazard event series (X) with its failure time series (T), enabling computation of corresponding average return periods, risk, and reliabilities associated with nonstationary event series. This work investigates the suitability of HFA to characterize nonstationary natural hazards whose POT magnitudes are assumed to follow the widely applied generalized Pareto model. We derive the hazard function for this case and demonstrate how metrics such as reliability and average return period are impacted by nonstationarity and discuss the implications for planning and design. Our theoretical analysis linking hazard random variable X with corresponding failure time series T should have application to a wide class of natural hazards with opportunities for future extensions.

Interpolation of magnetic surface functions for an axi-symmetric plasma

International Nuclear Information System (INIS)

Yamaguchi, Taiki; Maeyama, Mitsuaki

2000-01-01

Informations of the magnetic surface functions of magnetically confined plasma are indispensable for equilibrium, stability and transport analyses. In this paper, in order to identify a realistic surface functions and compare those with ones which are introduced from Taylor's relaxation theory, we propose a code to interpolate these surface functions for an axi-symmetric plasma from experimentally measured data. To confirm our code, we used the date which were analyzed from known functions given as a measured data. As a result, we have developed a code which can derive surface functions I and P. Effects of measurement error on those functions are also examined. (author)

Morus alba L. nature's functional tonic

NARCIS (Netherlands)

Butt, M.S.; Nazir, A.; Tauseef Sultan, M.; Schroën, C.G.P.H.

2008-01-01

Currently, importance of natural products is being revitalized to alleviate various health discrepancies. The link between health and diet is well documented and the consumers' trend reflects conscience towards their dietary habits. Probing these links has led to the emergence of functional,

Nanoparticles in natural systems I: The effective reactive surface area of the natural oxide fraction in field samples

Science.gov (United States)

Hiemstra, Tjisse; Antelo, Juan; Rahnemaie, Rasoul; van Riemsdijk, Willem H.

2010-01-01

Information on the particle size and reactive surface area of natural samples is essential for the application of surface complexation models (SCM) to predict bioavailability, toxicity, and transport of elements in the natural environment. In addition, this information will be of great help to enlighten views on the formation, stability, and structure of nanoparticle associations of natural organic matter (NOM) and natural oxide particles. Phosphate is proposed as a natively present probe ion to derive the effective reactive surface area of natural samples. In the suggested method, natural samples are equilibrated (⩾10 days) with 0.5 M NaHCO 3 (pH = 8.5) at various solid-solution ratios. This matrix fixes the pH and ionic strength, suppresses the influence of Ca 2+ and Mg 2+ ions by precipitation these in solid carbonates, and removes NOM due to the addition of activated carbon in excess, collectively leading to the dominance of the PO 4-CO 3 interaction in the system. The data have been interpreted with the charge distribution (CD) model, calibrated for goethite, and the analysis results in an effective reactive surface area (SA) and a reversibly bound phosphate loading Γ for a series of top soils. The oxidic SA varies between about 3-30 m 2/g sample for a large series of representative agricultural top soils. Scaling of our data to the total iron and aluminum oxide content (dithionite-citrate-bicarbonate extractable), results in the specific surface area between about 200-1200 m 2/g oxide for most soils, i.e. the oxide particles are nano-sized with an equivalent diameter in the order of ˜1-10 nm if considered as non-porous spheres. For the top soils, the effective surface area and the soil organic carbon fraction are strongly correlated. The oxide particles are embedded in a matrix of organic carbon (OC), equivalent to ˜1.4 ± 0.2 mg OC/m 2 oxide for many soils of the collection, forming a NOM-mineral nanoparticle association with an average NOM volume

Surface plasma functionalization influences macrophage behavior on carbon nanowalls

Energy Technology Data Exchange (ETDEWEB)

Ion, Raluca [University of Bucharest, Department of Biochemistry and Molecular Biology, 91-95 Spl. Independentei, 050095 Bucharest (Romania); Vizireanu, Sorin [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania); Stancu, Claudia Elena [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania); Leibniz Institute for Plasma Science and Technology (INP Greifswald), Felix-Hausdorff-Str. 2, 17489 Greifswald (Germany); Luculescu, Catalin [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania); Cimpean, Anisoara, E-mail: anisoara.cimpean@bio.unibuc.ro [University of Bucharest, Department of Biochemistry and Molecular Biology, 91-95 Spl. Independentei, 050095 Bucharest (Romania); Dinescu, Gheorghe [National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor, PO Box MG-36, 077125, Magurele, Bucharest (Romania)

2015-03-01

The surfaces of carbon nanowall samples as scaffolds for tissue engineering applications were treated with oxygen or nitrogen plasma to improve their wettability and to functionalize their surfaces with different functional groups. X-ray photoelectron spectroscopy and water contact angle results illustrated the effective conversion of the carbon nanowall surfaces from hydrophobic to hydrophilic and the incorporation of various amounts of carbon, oxygen and nitrogen functional groups during the treatments. The early inflammatory responses elicited by un-treated and modified carbon nanowall surfaces were investigated by quantifying tumor necrosis factor-alpha and macrophage inflammatory protein-1 alpha released by attached RAW 264.7 macrophage cells. Scanning electron microscopy and fluorescence studies were employed to investigate the changes in macrophage morphology and adhesive properties, while MTT assay was used to quantify cell proliferation. All samples sustained macrophage adhesion and growth. In addition, nitrogen plasma treatment was more beneficial for cell adhesion in comparison with un-modified carbon nanowall surfaces. Instead, oxygen plasma functionalization led to increased macrophage adhesion and spreading suggesting a more activated phenotype, confirmed by elevated cytokine release. Thus, our findings showed that the chemical surface alterations which occur as a result of plasma treatment, independent of surface wettability, affect macrophage response in vitro. - Highlights: • N{sub 2} and O{sub 2} plasma treatments alter the CNW surface chemistry and wettability. • Cells seeded on CNW scaffolds are viable and metabolically active. • Surface functional groups, independent of surface wettability, affect cell response. • O{sub 2} plasma treatment of CNW leads to a more activated macrophage phenotype.

Effects of DDT and Triclosan on Tumor-cell Binding Capacity and Cell-Surface Protein Expression of Human Natural Killer Cells

Science.gov (United States)

Hurd-Brown, Tasia; Udoji, Felicia; Martin, Tamara; Whalen, Margaret M.

2012-01-01

1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane (DDT) and triclosan (TCS) are organochlorine (OC) compounds that contaminate the environment, are found in human blood, and have been shown to decrease the tumor-cell killing (lytic) function of human natural killer (NK) cells. NK cells defend against tumor cells and virally infected cells. They bind to these targets, utilizing a variety of cell surface proteins. This study examined concentrations of DDT and TCS that decrease lytic function for alteration of NK binding to tumor targets. Levels of either compound that caused loss of binding function were then examined for effects on expression of cell-surface proteins needed for binding. NK cells exposed to 2.5 μM DDT for 24 h (which caused a greater than 55% loss of lytic function) showed a decrease in NK binding function of about 22%, and a decrease in CD16 cell-surface protein of 20%. NK cells exposed to 5 μM TCS for 24 h showed a decrease in ability to bind tumor cells of 37% and a decrease in expression of CD56 of about 34%. This same treatment caused a decrease in lytic function of greater than 87%. These results indicated that only a portion of the loss of NK lytic function seen with exposures to these compounds could be accounted for by loss of binding function. They also showed that loss of binding function is accompanied by a loss cell-surface proteins important in binding function. PMID:22729613

A review of nanostructured surfaces and materials for dental implants: surface coating, patterning and functionalization for improved performance.

Science.gov (United States)

Rasouli, Rahimeh; Barhoum, Ahmed; Uludag, Hasan

2018-05-10

The emerging field of nanostructured implants has enormous scope in the areas of medical science and dental implants. Surface nanofeatures provide significant potential solutions to medical problems by the introduction of better biomaterials, improved implant design, and surface engineering techniques such as coating, patterning, functionalization and molecular grafting at the nanoscale. This review is of an interdisciplinary nature, addressing the history and development of dental implants and the emerging area of nanotechnology in dental implants. After a brief introduction to nanotechnology in dental implants and the main classes of dental implants, an overview of different types of nanomaterials (i.e. metals, metal oxides, ceramics, polymers and hydrides) used in dental implant together with their unique properties, the influence of elemental compositions, and surface morphologies and possible applications are presented from a chemical point of view. In the core of this review, the dental implant materials, physical and chemical fabrication techniques and the role of nanotechnology in achieving ideal dental implants have been discussed. Finally, the critical parameters in dental implant design and available data on the current dental implant surfaces that use nanotopography in clinical dentistry have been discussed.

Diamond surface functionalization with biomimicry - Amine surface tether and thiol moiety for electrochemical sensors

Science.gov (United States)

Sund, James B.; Causey, Corey P.; Wolter, Scott D.; Parker, Charles B.; Stoner, Brian R.; Toone, Eric J.; Glass, Jeffrey T.

2014-05-01

The surface of conducting diamond was functionalized with a terminal thiol group that is capable of binding and detecting nitrogen-oxygen species. The functionalization process employed multiple steps starting with doped diamond films grown by plasma enhanced chemical vapor deposition followed by hydrogen termination and photochemical attachment of a chemically protected amine alkene. The surface tether was deprotected to reveal the amine functionality, which enabled the tether to be extended with surface chemistry to add a terminal thiol moiety for electrochemical sensing applications. Each step of the process was validated using X-ray photoelectron spectroscopy analysis.

Bioinspired superhydrophobic, self-cleaning and low drag surfaces

Science.gov (United States)

Bhushan, Bharat

2013-09-01

Nature has evolved objects with desired functionality using commonly found materials. Nature capitalizes on hierarchical structures to achieve functionality. The understanding of the functions provided by objects and processes found in nature can guide us to produce nanomaterials, nanodevices, and processes with desirable functionality. This article provides an overview of four topics: (1) Lotus Effect used to develop superhydrophobic and self-cleaning/antifouling surfaces with low adhesion, (2) Shark Skin Effect to develop surfaces with low fluid drag and anti-fouling characteristics, and (3-4) Rice Leaf and Butterfly Wing Effect to develop superhydrophobic and self-cleaning surfaces with low drag. Rice Leaf and Butterfly Wings combine the Shark Skin and Lotus Effects.

Natural convection with evaporation in a vertical cylindrical cavity under the effect of temperature-dependent surface tension

Science.gov (United States)

Kozhevnikov, Danil A.; Sheremet, Mikhail A.

2018-01-01

The effect of surface tension on laminar natural convection in a vertical cylindrical cavity filled with a weak evaporating liquid has been analyzed numerically. The cylindrical enclosure is insulated at the bottom, heated by a constant heat flux from the side, and cooled by a non-uniform evaporative heat flux from the top free surface having temperature-dependent surface tension. Governing equations with corresponding boundary conditions formulated in dimensionless stream function, vorticity, and temperature have been solved by finite difference method of the second-order accuracy. The influence of Rayleigh number, Marangoni number, and aspect ratio on the liquid flow and heat transfer has been studied. Obtained results have revealed that the heat transfer rate at free surface decreases with Marangoni number and increases with Rayleigh number, while the average temperature inside the cavity has an opposite behavior; namely, it growths with Marangoni number and reduces with Rayleigh number.

TOPICAL REVIEW: Vicinal surfaces for functional nanostructures

Science.gov (United States)

Tegenkamp, Christoph

2009-01-01

Vicinal surfaces are currently the focus of research. The regular arrangements of atomic steps on a mesoscopic scale reveal the possibility to functionalize these surfaces for technical applications, e.g. nanowires, catalysts, etc. The steps of the vicinal surface are well-defined defect structures of atomic size for nucleation of low-dimensional nanostructures. The concentration and therefore the coupling between the nanostructures can be tuned over a wide range by simply changing the inclination angle of the substrate. However, the coupling of these nano-objects to the substrate is just as important in controlling their electronic or chemical properties and making a functionality useable. On the basis of stepped insulating films, these aspects are fulfilled and will be considered in the first part of this review. Recent results for the epitaxial growth of wide bandgap insulating films (CaF2, MgO, NaCl, BaSrO) on metallic and semiconducting vicinal substrates (Si(100), Ge(100), Ag(100)) will be presented. The change of the electronic structure, the adsorption behavior as well as the kinetics and energetics of color centers in the presence of steps is discussed. The successful bridging of the gap between the atomic and mesoscopic world, i.e. the functionalization of vicinal surfaces by nanostructures, is demonstrated in the second part by metal adsorption on semiconducting surfaces. For (sub)monolayer coverage these systems have in common that the surface states do not hybridize with the support, i.e. the semiconducting surfaces are insulating. Here I will focus on the latest results of macroscopic transport measurements on Pb quantum wires grown on vicinal Si(111) showing indeed a one-dimensional transport behavior.

Microvillar cell surface as a natural defense system against xenobiotics: a new interpretation of multidrug resistance.

Science.gov (United States)

Lange, K; Gartzke, J

2001-08-01

The phenomenon of multidrug resistance (MDR) is reinterpreted on the basis of the recently proposed concept of microvillar signaling. According to this notion, substrate and ion fluxes across the surface of differentiated cells occur via transporters and ion channels that reside in membrane domains at the tips of microvilli (MV). The flux rates are regulated by the actin-based cytoskeletal core structure of MV, acting as a diffusion barrier between the microvillar tip compartment and the cytoplasm. The expression of this diffusion barrier system is a novel aspect of cell differentiation and represents a functional component of the natural defense system of epithelial cells against environmental hazardous ions and lipophilic compounds. Because of the specific organization of epithelial Ca(2+) signaling and the secretion, lipophilic compounds associated with the plasma membrane are transferred from the basal to the apical cell surface by a lipid flow mechanism. Drug release from the apical pole occurs by either direct secretion from the cell surface or metabolization by the microvillar cytochrome P-450 system and efflux of the metabolites and conjugation products through the large multifunctional anion channels localized in apical MV. The natural microvillar defense system also provides a mechanistic basis of acquired MDR in tumor cells. The microvillar surface organization is lost in rapidly growing cells such as tumor or embryonic cells but is restored during exposure of tumor cells to cytotoxins by induction of a prolonged G(0)/G(1) resting phase.

Altering Height Data by Using Natural Logarithm as 3D Modelling Function for Reverse Engineering Application

Science.gov (United States)

Ilham Aminullah Abdulqawi, Nur; Salman Abu Mansor, Mohd

2018-01-01

The raw data extracted from reverse engineering based on vision mostly do not resemble the actual geometrical representation yet. Even though the higher object surface reflected the most visible light towards the camera and yield higher number of value based on Lambertian illumination model, this does not mean the curvature profile are always accurate. After all, there are many mathematical models to shape curvature profiles into the correct representation. However, one of the most appropriate models found is the natural logarithm function. The function itself has alteration properties towards the raw data generated from reverse engineering based on vision.

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

Energy Technology Data Exchange (ETDEWEB)

Pruna, R., E-mail: rpruna@el.ub.edu; Palacio, F.; López, M. [SIC, Departament d' Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain); Pérez, J. [Nanobioengineering Group, Institute for Bioengineering of Catalonia (IBEC), Baldiri Reixac 15-21, E-08028 Barcelona (Spain); Mir, M. [Nanobioengineering Group, Institute for Bioengineering of Catalonia (IBEC), Baldiri Reixac 15-21, E-08028 Barcelona (Spain); Centro de Investigación Biomédica en Red en Bioingeniería, Biomateriales y Nanomedicina (CIBER-BBN), Monforte de Lemos 3-5 Pabellón 11, E-28029 Madrid (Spain); Blázquez, O.; Hernández, S.; Garrido, B. [MIND-IN" 2UB, Departament d' Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain)

2016-08-08

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than the geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

International Nuclear Information System (INIS)

Pruna, R.; Palacio, F.; López, M.; Pérez, J.; Mir, M.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Blázquez, O.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Hernández, S.; 2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" data-affiliation=" (MIND-IN2UB, Departament d'Enginyeries: Electrònica, Universitat de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona (Spain))" >Garrido, B.

2016-01-01

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than the geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.

Filtering Non-Linear Transfer Functions on Surfaces.

Science.gov (United States)

Heitz, Eric; Nowrouzezahrai, Derek; Poulin, Pierre; Neyret, Fabrice

2014-07-01

Applying non-linear transfer functions and look-up tables to procedural functions (such as noise), surface attributes, or even surface geometry are common strategies used to enhance visual detail. Their simplicity and ability to mimic a wide range of realistic appearances have led to their adoption in many rendering problems. As with any textured or geometric detail, proper filtering is needed to reduce aliasing when viewed across a range of distances, but accurate and efficient transfer function filtering remains an open problem for several reasons: transfer functions are complex and non-linear, especially when mapped through procedural noise and/or geometry-dependent functions, and the effects of perspective and masking further complicate the filtering over a pixel's footprint. We accurately solve this problem by computing and sampling from specialized filtering distributions on the fly, yielding very fast performance. We investigate the case where the transfer function to filter is a color map applied to (macroscale) surface textures (like noise), as well as color maps applied according to (microscale) geometric details. We introduce a novel representation of a (potentially modulated) color map's distribution over pixel footprints using Gaussian statistics and, in the more complex case of high-resolution color mapped microsurface details, our filtering is view- and light-dependent, and capable of correctly handling masking and occlusion effects. Our approach can be generalized to filter other physical-based rendering quantities. We propose an application to shading with irradiance environment maps over large terrains. Our framework is also compatible with the case of transfer functions used to warp surface geometry, as long as the transformations can be represented with Gaussian statistics, leading to proper view- and light-dependent filtering results. Our results match ground truth and our solution is well suited to real-time applications, requires only a few

Surface-functionalized nanoparticles for biosensing and imaging-guided therapeutics

Science.gov (United States)

Jiang, Shan; Win, Khin Yin; Liu, Shuhua; Teng, Choon Peng; Zheng, Yuangang; Han, Ming-Yong

2013-03-01

In this article, the very recent progress of various functional inorganic nanomaterials is reviewed including their unique properties, surface functionalization strategies, and applications in biosensing and imaging-guided therapeutics. The proper surface functionalization renders them with stability, biocompatibility and functionality in physiological environments, and further enables their targeted use in bioapplications after bioconjugation via selective and specific recognition. The surface-functionalized nanoprobes using the most actively studied nanoparticles (i.e., gold nanoparticles, quantum dots, upconversion nanoparticles, and magnetic nanoparticles) make them an excellent platform for a wide range of bioapplications. With more efforts in recent years, they have been widely developed as labeling probes to detect various biological species such as proteins, nucleic acids and ions, and extensively employed as imaging probes to guide therapeutics such as drug/gene delivery and photothermal/photodynamic therapy.

Kinetic-energy functionals studied by surface calculations

DEFF Research Database (Denmark)

Vitos, Levente; Skriver, Hans Lomholt; Kollár, J.

1998-01-01

The self-consistent jellium model of metal surfaces is used to study the accuracy of a number of semilocal kinetic-energy functionals for independent particles. It is shown that the poor accuracy exhibited by the gradient expansion approximation and most of the semiempirical functionals in the lo...... density, high gradient limit may be subtantially improved by including locally a von Weizsacker term. Based on this, we propose a simple one-parameter Pade's approximation, which reproduces the exact Kohn-Sham surface kinetic energy over the entire range of metallic densities....

A smart surface from natural rubber: the mechanism of entropic control at the surface monitored by contact angle measurement

Directory of Open Access Journals (Sweden)

Sureurg Khongtong

2006-03-01

Full Text Available Surface oxidation of crosslinked natural rubber provided a hydrophilic substrate (sticky surface that became more hydrophobic (less sticky when equilibrated against hot water. This unusual temperaturedependent surface reconstruction is interpreted as the result of recoiling of entropic unfavorable uncoiled chains induced when rubber surface was oxidized. Subsequent equilibration of these annealed samples against water at room temperature returned their original hydrophilicity. The degree of this surface reconstruction and its kinetics are also dependent on the amounts of crosslinking of the samples.

Surface structure and properties of functionalized nanodiamonds: a first-principles study

International Nuclear Information System (INIS)

Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C

2011-01-01

The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size (∼5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

Surface structure and properties of functionalized nanodiamonds: a first-principles study

Energy Technology Data Exchange (ETDEWEB)

Datta, Aditi; Kirca, Mesut; Fu Yao; To, Albert C, E-mail: albertto@pitt.edu [Department of Mechanical Engineering and Materials Science and Department of Civil and Environmental Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

2011-02-11

The goal of this work is to gain fundamental understanding of the surface and internal structure of functionalized detonation nanodiamonds (NDs) using quantum mechanics based density functional theory (DFT) calculations. The unique structure of ND assists in the binding of different functional groups to its surface which in turn facilitates binding with drug molecules. The ability to comprehensively model the surface properties, as well as drug-ND interactions during functionalization, is a challenge and is the problem of our interest. First, the structure of NDs of technologically relevant size ({approx}5 nm) was optimized using classical mechanics based molecular mechanics simulations. Quantum mechanics based density functional theory (DFT) was then employed to analyse the properties of smaller relevant parts of the optimized cluster further to address the effect of functionalization on the stability of the cluster and reactivity at its surface. It is found that functionalization is preferred over reconstruction at the (100) surface and promotes graphitization in the (111) surface for NDs functionalized with the carbonyl oxygen (C = O) group. It is also seen that the edges of ND are the preferred sites for functionalization with the carboxyl group (-COOH) vis-a-vis the corners of ND.

Photo-induced surface functionalization of carbon surfaces: The role of photoelectron ejection

International Nuclear Information System (INIS)

Colavita, Paula E.; Sun Bin; Tse, K.-Y.; Hamers, Robert J.

2008-01-01

Carbon-based materials are attractive for a wide range of applications, from biomaterials to fuel cells; however, their effective use often requires controlling the surface chemistry to incorporate recognition moieties or reactive centers. The high stability of carbon also makes it a challenging material to functionalize; recently, the use of ultraviolet light (254 nm) to initiate functionalization of carbon surfaces has emerged as a way to obtain carbon/organic interfaces with tailored properties. The authors have investigated the mechanism of covalent grafting of amorphous carbon surfaces with functional organic molecules using the photochemical reaction of terminal alkenes. Measurements comparing the reactivity of different n-alkenes bearing different terminal groups at the terminus opposite the olefin showed pronounced differences in reactivity. They characterized the rate and final coverage of the resulting organic layers using x-ray photoelectron spectroscopy and infrared reflection-absorption spectroscopy. Ultraviolet photoelectron spectroscopy and photocurrent measurements suggested that the reaction involves photoelectron emission from the carbon surface into the liquid phase. Density functional calculations show a strong correlation between the electron affinity of the alkenes and the observed reactivity. The specific terminal group opposite to the olefin was found to play an important role in the stabilization of excess negative charges on the molecule, thus explaining the strong dependence of reactivity on the particular terminal group. These findings suggest that the reaction involves injection of photoelectrons into the alkene acceptor levels, leading to the formation of radical anions in the liquid phase. Finally, the authors demonstrate that the grafting of marginally reactive alkenes can be enhanced by seeding the surface with a small amount of good electron accepting groups. These results provide fundamental new insights into the role of

Molecular recognition on a cavitand-functionalized silicon surface.

Science.gov (United States)

Biavardi, Elisa; Favazza, Maria; Motta, Alessandro; Fragalà, Ignazio L; Massera, Chiara; Prodi, Luca; Montalti, Marco; Melegari, Monica; Condorelli, Guglielmo G; Dalcanale, Enrico

2009-06-03

A Si(100) surface featuring molecular recognition properties was obtained by covalent functionalization with a tetraphosphonate cavitand (Tiiii), able to complex positively charged species. Tiiii cavitand was grafted onto the Si by photochemical hydrosilylation together with 1-octene as a spatial spectator. The recognition properties of the Si-Tiiii surface were demonstrated through two independent analytical techniques, namely XPS and fluorescence spectroscopy, during the course of reversible complexation-guest exchange-decomplexation cycles with specifically designed ammonium and pyridinium salts. Control experiments employing a Si(100) surface functionalized with a structurally similar, but complexation inactive, tetrathiophosphonate cavitand (TSiiii) demonstrated no recognition events. This provides evidence for the complexation properties of the Si-Tiiii surface, ruling out the possibility of nonspecific interactions between the substrate and the guests. The residual Si-O(-) terminations on the surface replace the guests' original counterions, thus stabilizing the complex ion pairs. These results represent a further step toward the control of self-assembly of complex supramolecular architectures on surfaces.

Recommended values of clean metal surface work functions

International Nuclear Information System (INIS)

Derry, Gregory N.; Kern, Megan E.; Worth, Eli H.

2015-01-01

A critical review of the experimental literature for measurements of the work functions of clean metal surfaces of single-crystals is presented. The tables presented include all results found for low-index crystal faces except cases that were known to be contaminated surfaces. These results are used to construct a recommended value of the work function for each surface examined, along with an uncertainty estimate for that value. The uncertainties are based in part on the error distribution for all measured work functions in the literature, which is included here. The metals included in this review are silver (Ag), aluminum (Al), gold (Au), copper (Cu), iron (Fe), iridium (Ir), molybdenum (Mo), niobium (Nb), nickel (Ni), palladium (Pd), platinum (Pt), rhodium (Rh), ruthenium (Ru), tantalum (Ta), and tungsten (W)

Recommended values of clean metal surface work functions

Energy Technology Data Exchange (ETDEWEB)

Derry, Gregory N., E-mail: gderry@loyola.edu; Kern, Megan E.; Worth, Eli H. [Department of Physics, Loyola University Maryland, 4501 N. Charles St., Baltimore, Maryland 21210 (United States)

2015-11-15

A critical review of the experimental literature for measurements of the work functions of clean metal surfaces of single-crystals is presented. The tables presented include all results found for low-index crystal faces except cases that were known to be contaminated surfaces. These results are used to construct a recommended value of the work function for each surface examined, along with an uncertainty estimate for that value. The uncertainties are based in part on the error distribution for all measured work functions in the literature, which is included here. The metals included in this review are silver (Ag), aluminum (Al), gold (Au), copper (Cu), iron (Fe), iridium (Ir), molybdenum (Mo), niobium (Nb), nickel (Ni), palladium (Pd), platinum (Pt), rhodium (Rh), ruthenium (Ru), tantalum (Ta), and tungsten (W)

Characterizing the potential energy surface of the water dimer with DFT: failures of some popular functionals for hydrogen bonding.

Science.gov (United States)

Anderson, Julie A; Tschumper, Gregory S

2006-06-08

Ten stationary points on the water dimer potential energy surface have been examined with ten density functional methods (X3LYP, B3LYP, B971, B98, MPWLYP, PBE1PBE, PBE, MPW1K, B3P86, and BHandHLYP). Geometry optimizations and vibrational frequency calculations were carried out with the TZ2P(f,d)+dif basis set. All ten of the density functionals correctly describe the relative energies of the ten stationary points. However, correctly describing the curvature of the potential energy surface is far more difficult. Only one functional (BHandHLYP) reproduces the number of imaginary frequencies from CCSD(T) calculations. The other nine density functionals fail to correctly characterize the nature of at least one of the ten (H(2)O)(2) stationary points studied here.

MHD natural convection from a heated vertical wavy surface with variable viscosity and thermal conductivity

International Nuclear Information System (INIS)

Choudhury, M.; Hazarika, G.C.; Sibanda, P.

2013-01-01

We investigate the effects of temperature dependent viscosity and thermal conductivity on natural convection flow of a viscous incompressible electrically conducting fluid along a vertical wavy surface. The flow is permeated by uniform transverse magnetic field. The fluid viscosity and thermal conductivity are assumed to vary as inverse linear functions of temperature. The coupled non-linear systems of partial differential equations are solved using the finite difference method. The effects of variable viscosity parameter, variable thermal conductivity parameter and magnetic parameter on the flow field and the heat transfer characteristics are discussed and shown graphically. (author)

Memory color of natural familiar objects: effects of surface texture and 3-D shape.

Science.gov (United States)

Vurro, Milena; Ling, Yazhu; Hurlbert, Anya C

2013-06-28

Natural objects typically possess characteristic contours, chromatic surface textures, and three-dimensional shapes. These diagnostic features aid object recognition, as does memory color, the color most associated in memory with a particular object. Here we aim to determine whether polychromatic surface texture, 3-D shape, and contour diagnosticity improve memory color for familiar objects, separately and in combination. We use solid three-dimensional familiar objects rendered with their natural texture, which participants adjust in real time to match their memory color for the object. We analyze mean, accuracy, and precision of the memory color settings relative to the natural color of the objects under the same conditions. We find that in all conditions, memory colors deviate slightly but significantly in the same direction from the natural color. Surface polychromaticity, shape diagnosticity, and three dimensionality each improve memory color accuracy, relative to uniformly colored, generic, or two-dimensional shapes, respectively. Shape diagnosticity improves the precision of memory color also, and there is a trend for polychromaticity to do so as well. Differently from other studies, we find that the object contour alone also improves memory color. Thus, enhancing the naturalness of the stimulus, in terms of either surface or shape properties, enhances the accuracy and precision of memory color. The results support the hypothesis that memory color representations are polychromatic and are synergistically linked with diagnostic shape representations.

Stable functionalization of germanium surface and its application in biomolecules immobilization

Energy Technology Data Exchange (ETDEWEB)

Cai, Qi [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Xu, Baojian [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Ye, Lin [Sate Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Tang, Teng; Huang, Shanluo; Du, Xiaowei [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); University of Chinese Academy of Sciences, No.19A, Yuquan Road, Beijing 100049 (China); Bian, Xiaojun; Zhang, Jishen [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Di, Zengfeng, E-mail: zfdi@mail.sim.ac.cn [Sate Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Jin, Qinghui [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China); Zhao, Jianlong, E-mail: jlzhao@mail.sim.ac.cn [State Key Laboratory of Transducer Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, No.865, Changning Road, Shanghai 200050 (China)

2014-10-15

Highlights: • An effective method to immobilize biomolecules on the functionalized Ge surface. • The surface of Ge was functionalized with 11-Mercaptoundecanoic acid (11-MUA). • Stable and uniform SAMs was obtained on Ge surface after 11-MUA treatment. • The functionalized Ge was employed as substrate for protein immobilization. • Paving the way of Ge for further applications in bioelectronics field. - Abstract: As a typical semiconductor material, germanium (Ge) has the potential to be utilized in microelectronics and bioelectronics. Herein, we present a simple and effective method to immobilize biomolecules on the surface of functionalized Ge. The surface oxide of Ge was removed with the pretreatment of hydrochloric acid and the Cl-terminated Ge reacted with 11-Mercaptoundecanoic acid (11-MUA). The surface of Ge was coated with 11-MUA self-assembled monolayers (SAMs) due to the bonding reaction between the sulfhydryl group of 11-MUA and Cl-terminated Ge. Furthermore, typical biomolecule, a green fluorescent protein was chosen to be immobilized on the surface of the functionalized Ge. Contact angle analysis, atomic force microscopy and X-ray photoelectron spectroscopy were used to study the characteristics including wettability, stability, roughness and component of the functionalized Ge, respectively. Fluorescence microscopy was utilized to indicate the efficiency of protein immobilization on the surface of the functionalized Ge. With these studies, stable and uniform functionalized monolayer was obtained on the surface of Ge after 11-MUA treatment and the functionalized Ge was effectively applied in protein immobilization. Furthermore, this study may pave the way for further applications such as the integration of bioelectronics and biosensors with the attractive semiconductor material-Ge in future work.

Surface functionalization of aluminosilicate nanotubes with organic molecules

Directory of Open Access Journals (Sweden)

Wei Ma

2012-02-01

Full Text Available The surface functionalization of inorganic nanostructures is an effective approach for enriching the potential applications of existing nanomaterials. Inorganic nanotubes attract great research interest due to their one-dimensional structure and reactive surfaces. In this review paper, recent developments in surface functionalization of an aluminosilicate nanotube, “imogolite”, are introduced. The functionalization processes are based on the robust affinity between phosphate groups of organic molecules and the aluminol (AlOH surface of imogolite nanotubes. An aqueous modification process employing a water soluble ammonium salt of alkyl phosphate led to chemisorption of molecules on imogolite at the nanotube level. Polymer-chain-grafted imogolite nanotubes were prepared through surface-initiated polymerization. In addition, the assembly of conjugated molecules, 2-(5’’-hexyl-2,2’:5’,2’’-terthiophen-5-ylethylphosphonic acid (HT3P and 2-(5’’-hexyl-2,2’:5’,2’’-terthiophen-5-ylethylphosphonic acid 1,1-dioxide (HT3OP, on the imogolite nanotube surface was achieved by introducing a phosphonic acid group to the corresponding molecules. The optical and photophysical properties of these conjugated-molecule-decorated imogolite nanotubes were characterized. Moreover, poly(3-hexylthiophene (P3HT chains were further hybridized with HT3P modified imogolite to form a nanofiber hybrid.

Percieved functions of naturally occurring autobiographical memories

DEFF Research Database (Denmark)

Treebak, L. S.; Henriksen, J. R.; Lundhus, S.

2005-01-01

The main empirical reference on functions of autobiographical memories is still Hyman & Faries (1992) who used the cue-word-method and retrospective judgements. We used diaries to sample naturally occurring autobiographical memories and participants? perceived use of these. Results partly replicate...

Minimal models on Riemann surfaces: The partition functions

International Nuclear Information System (INIS)

Foda, O.

1990-01-01

The Coulomb gas representation of the A n series of c=1-6/[m(m+1)], m≥3, minimal models is extended to compact Riemann surfaces of genus g>1. An integral representation of the partition functions, for any m and g is obtained as the difference of two gaussian correlation functions of a background charge, (background charge on sphere) x (1-g), and screening charges integrated over the surface. The coupling constant x (compacitification radius) 2 of the gaussian expressions are, as on the torus, m(m+1), and m/(m+1). The partition functions obtained are modular invariant, have the correct conformal anomaly and - restricting the propagation of states to a single handle - one can verify explicitly the decoupling of the null states. On the other hand, they are given in terms of coupled surface integrals, and it remains to show how they degenerate consistently to those on lower-genus surfaces. In this work, this is clear only at the lattice level, where no screening charges appear. (orig.)

Minimal models on Riemann surfaces: The partition functions

Energy Technology Data Exchange (ETDEWEB)

Foda, O. (Katholieke Univ. Nijmegen (Netherlands). Inst. voor Theoretische Fysica)

1990-06-04

The Coulomb gas representation of the A{sub n} series of c=1-6/(m(m+1)), m{ge}3, minimal models is extended to compact Riemann surfaces of genus g>1. An integral representation of the partition functions, for any m and g is obtained as the difference of two gaussian correlation functions of a background charge, (background charge on sphere) x (1-g), and screening charges integrated over the surface. The coupling constant x (compacitification radius){sup 2} of the gaussian expressions are, as on the torus, m(m+1), and m/(m+1). The partition functions obtained are modular invariant, have the correct conformal anomaly and - restricting the propagation of states to a single handle - one can verify explicitly the decoupling of the null states. On the other hand, they are given in terms of coupled surface integrals, and it remains to show how they degenerate consistently to those on lower-genus surfaces. In this work, this is clear only at the lattice level, where no screening charges appear. (orig.).

A Kind of Nanofluid Consisting of Surface-Functionalized Nanoparticles

Directory of Open Access Journals (Sweden)

Yang Xuefei

2010-01-01

Full Text Available Abstract A method of surface functionalization of silica nanoparticles was used to prepare a kind of stable nanofluid. The functionalization was achieved by grafting silanes directly to the surface of silica nanoparticles in silica solutions (both a commercial solution and a self-made silica solution were used. The functionalized nanoparticles were used to make nanofluids, in which well-dispersed nanoparticles can keep good stability. One of the unique characteristics of the nanofluids is that no deposition layer forms on the heated surface after a pool boiling process. The nanofluids have applicable prospect in thermal engineering fields with the phase-change heat transfer.

SURFACE SYMMETRY ENERGY OF NUCLEAR ENERGY DENSITY FUNCTIONALS

Energy Technology Data Exchange (ETDEWEB)

Nikolov, N; Schunck, N; Nazarewicz, W; Bender, M; Pei, J

2010-12-20

We study the bulk deformation properties of the Skyrme nuclear energy density functionals. Following simple arguments based on the leptodermous expansion and liquid drop model, we apply the nuclear density functional theory to assess the role of the surface symmetry energy in nuclei. To this end, we validate the commonly used functional parametrizations against the data on excitation energies of superdeformed band-heads in Hg and Pb isotopes, and fission isomers in actinide nuclei. After subtracting shell effects, the results of our self-consistent calculations are consistent with macroscopic arguments and indicate that experimental data on strongly deformed configurations in neutron-rich nuclei are essential for optimizing future nuclear energy density functionals. The resulting survey provides a useful benchmark for further theoretical improvements. Unlike in nuclei close to the stability valley, whose macroscopic deformability hangs on the balance of surface and Coulomb terms, the deformability of neutron-rich nuclei strongly depends on the surface-symmetry energy; hence, its proper determination is crucial for the stability of deformed phases of the neutron-rich matter and description of fission rates for r-process nucleosynthesis.

Partitioning of functional and taxonomic diversity in surface-associated microbial communities.

Science.gov (United States)

Roth-Schulze, Alexandra J; Zozaya-Valdés, Enrique; Steinberg, Peter D; Thomas, Torsten

2016-12-01

Surfaces, including those submerged in the marine environment, are subjected to constant interactions and colonisation by surrounding microorganisms. The principles that determine the assembly of those epibiotic communities are however poorly understood. In this study, we employed a hierarchical design to assess the functionality and diversity of microbial communities on different types of host surfaces (e.g. macroalgae, seagrasses). We found that taxonomic diversity was unique to each type of host, but that the majority of functions (> 95%) could be found in any given surface community, suggesting a high degree of functional redundancy. However, some community functions were enriched on certain surfaces and were related to host-specific properties (e.g. the degradation of specific polysaccharides). Together these observations support a model, whereby communities on surfaces are assembled from guilds of microorganisms with a functionality that is partitioned into general properties for a surface-associated life-style, but also specific features that mediate host-specificity. © 2016 Society for Applied Microbiology and John Wiley & Sons Ltd.

Processing and surface modification of novel natural-origin architectures aimed for biomedical applications

Science.gov (United States)

Silva, Simone dos Santos

In the last decades, tissue engineering has emerged as a potential therapeutical tool aimed at developing substitutes that are able to restore proper function of the damaged organs/tissues. Nature-inspired routes involving natural origin polymer-based systems represent an attractive alternative to produce novel materials by mimicking the tissue environment required for tissue regeneration. Moreover, further modifications of these systems allow the adjustment of their properties in accordance with the requirements for successful biomedical applications. The main goal of the present thesis is to develop and modify natural origin polymer-based systems using simple methodologies such as sol-gel, surface modification by means of plasma treatment and blending of chitosan with proteins (soy protein isolate and silk fibroin). A sol-gel method was used to improve the bulk properties of chitosan by the incorporation of an inorganic component at the sub-nanometric level. Chitosan/siloxane hybrid materials were synthesised, where essentially urea bridges covalently bond the chitosan to the polysiloxane network. These bifunctional materials exhibit interesting photoluminescence features and a bioactive behaviour. In most situations in the biomedical field, the surface of a biomaterial is in direct contact with living tissues. Therefore, the surface characteristics play a fundamental role on the implant biocompatibility. In this thesis, nitrogen and argon plasma treatment was applied on chitosan membranes in order to improve their surface properties. The applied modifications promoted differences on surface chemistry, wettability and roughness, which reflected in a significant improvement of fibroblast adhesion and proliferation onto chitosan membranes. Besides the surface modification, blending of chitosan with proteins such as soy protein isolate and silk fibroin was also used to modify the bulk properties of chitosan. In situ cross-linking with glutaraldehyde solutions was

Functionalization of Liquid Natural Rubber via Oxidative Degradation of Natural Rubber

Directory of Open Access Journals (Sweden)

Suhawati Ibrahim

2014-12-01

Full Text Available Natural rubber (NR is a high molecular weight natural polymer and can be degraded to liquid natural rubber (LNR leaving certain functional groups at the end of chains. In this study, LNR samples prepared via oxidative degradation using H2O2 and NaNO2 as reagents were found to have different end groups depending on the pH of the reaction medium. In an acidic medium, LNR with hydroxyl terminal groups was formed as the degradation reaction was initiated by hydroxyl radicals produced from decomposition of peroxynitrite acid. In contrast, a redox reaction took place in an alkaline medium to yield LNR with carbonyl terminal groups. The mechanisms of reaction are discussed and proposed to explain the formation of different end groups when reaction carried out in acidic and alkaline media. Chain degradation in an acidic medium seems to be more effective than in an alkaline medium, and thus yields LNR with lower Mn.

Surface silylation of natural mesoporous/macroporous diatomite for adsorption of benzene.

Science.gov (United States)

Yu, Wenbin; Deng, Liangliang; Yuan, Peng; Liu, Dong; Yuan, Weiwei; Liu, Peng; He, Hongping; Li, Zhaohui; Chen, Fanrong

2015-06-15

Naturally occurring porous diatomite (Dt) was functionalized with phenyltriethoxysilane (PTES), and the PTES-modified diatomite (PTES-Dt) was characterized using diffuse reflectance Fourier transform infrared spectroscopy, nitrogen adsorption, nuclear magnetic resonance spectroscopy, X-ray photoelectron spectroscopy, and thermogravimetric analysis. After silylation, a functional group (-C6H5, phenyl) was successfully introduced onto the surface of Dt. PTES-Dt exhibited hydrophobic properties with a water contact angle (WCA) as high as 120°±1°, whereas Dt was superhydrophilic with a WCA of 0°. The benzene adsorption data on both Dt and PTES-Dt fit well with the Langmuir isotherm equation. The Langmuir adsorption capacity of benzene on PTES-Dt is 28.1 mg/g, more than 4-fold greater than that on Dt. Moreover, the adsorption kinetics results show that equilibrium was achieved faster for PTES-Dt than for Dt, over the relative pressure range of 0.118-0.157. The excellent benzene adsorption performance of PTES-Dt is attributed to strong π-system interactions between the phenyl groups and the benzene molecules as well as to the macroporosity of the PTES-Dt. These results show that the silylated diatomite could be a new and inexpensive adsorbent suitable for use in benzene emission control. Copyright © 2015 Elsevier Inc. All rights reserved.

Work functions and surface charges at metallic facet edges

International Nuclear Information System (INIS)

Fall, C.J.; Binggeli, N.; Baldereschi, A.

2002-04-01

The electronic charge densities and work functions at sharp metallic facet edges are determined from ab initio calculations, combined with macroscopic averaging techniques. In particular, we examine how two different work functions coexist at close range near edges between inequivalent facets. The surface ionic relaxation at facet edges is shown to influence appreciably the local electrostatic potential in the vacuum. Various edges between Al(100) and Al(111) facets are studied, as well as between Na(110) facets. We also develop a model of electronic surface dipoles, which accounts for the surface charge transfer between inequivalent facets, and which allows us to predict the influence of the shape and size of a macroscopic crystal on its work functions. (author)

Porosity-dependent fractal nature of the porous silicon surface

Energy Technology Data Exchange (ETDEWEB)

Rahmani, N.; Dariani, R. S., E-mail: dariani@alzahra.ac.ir [Department of Physics, Alzahra University, Tehran, 1993893973 (Iran, Islamic Republic of)

2015-07-15

Porous silicon films with porosity ranging from 42% to 77% were fabricated by electrochemical anodization under different current density. We used atomic force microscopy and dynamic scaling theory for deriving the surface roughness profile and processing the topography of the porous silicon layers, respectively. We first compared the topography of bare silicon surface with porous silicon and then studied the effect of the porosity of porous silicon films on their scaling behavior by using their self-affinity nature. Our work demonstrated that silicon compared to the porous silicon films has the highest Hurst parameter, indicating that the formation of porous layer due to the anodization etching of silicon surface leads to an increase of its roughness. Fractal analysis revealed that the evolution of the nanocrystallites’ fractal dimension along with porosity. Also, we found that both interface width and Hurst parameter are affected by the increase of porosity.

The ionic versus metallic nature of 2D electrides: a density-functional description.

Science.gov (United States)

Dale, Stephen G; Johnson, Erin R

2017-10-18

The two-dimensional (2D) electrides are a highly unusual class of materials, possessing interstitial electron layers sandwiched between cationic atomic layers of the solid. In this work, density-functional theory, with the exchange-hole dipole moment dispersion correction, is used to investigate exfoliation and interlayer sliding of the only two experimentally known 2D electrides: [Ca 2 N] + e - and [Y 2 C] 2+ (2e - ). Examination of the valence states during exfoliation identifies intercalated electrons in the bulk and weakly-bound surface-states in the fully-expanded case. The calculated exfoliation energies for the 2D electrides are found to be much higher than for typical 2D materials, which is attributed to the ionic nature of the electrides and the strong Coulomb forces governing the interlayer interactions. Conversely, the calculated sliding barriers are found to be quite low, comparable to those for typical 2D materials, and are effectively unchanged by exclusion of dispersion. We conjecture that the metallic nature of the interstitial electrons allows the atomic layers to move relative to each other without significantly altering the interlayer binding. Finally, comparison with previous works reveals the importance of a system-dependent dispersion correction in the density-functional treatment.

Functional 2D Procrustes Shape Analysis

DEFF Research Database (Denmark)

Larsen, Rasmus

2005-01-01

Using a landmark based approach to Procrustes alignment neglects the functional nature of outlines and surfaces. In order to re-introduce this functional nature into the analysis we will consider alignment of shapes with functional representations. First functional Procrustes analysis of curve...

N and Cr ion implantation of natural ruby surfaces and their characterization

Energy Technology Data Exchange (ETDEWEB)

Rao, K. Sudheendra; Sahoo, Rakesh K.; Dash, Tapan [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013 (India); Magudapathy, P.; Panigrahi, B.K. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Nayak, B.B.; Mishra, B.K. [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar 751013 (India)

2016-04-15

Highlights: • Cr and N ion implantation on natural rubies of low aesthetic quality. • Cr-ion implantation improves colour tone from red to deep red (pigeon eye red). • N-ion implantation at fluence of 3 × 10{sup 17} causes blue coloration on surface. • Certain extent of amorphization is observed in the case of N-ion implantation. - Abstract: Energetic ions of N and Cr were used to implant the surfaces of natural rubies (low aesthetic quality). Surface colours of the specimens were found to change after ion implantation. The samples without and with ion implantation were characterized by diffuse reflectance spectra in ultra violet and visible region (DRS-UV–Vis), field emission scanning electron microscopy (FESEM), selected area electron diffraction (SAED) and nano-indentation. While the Cr-ion implantation produced deep red surface colour (pigeon eye red) in polished raw sample (without heat treatment), the N-ion implantation produced a mixed tone of dark blue, greenish blue and violet surface colour in the heat treated sample. In the case of heat treated sample at 3 × 10{sup 17} N-ions/cm{sup 2} fluence, formation of colour centres (F{sup +}, F{sub 2}, F{sub 2}{sup +} and F{sub 2}{sup 2+}) by ion implantation process is attributed to explain the development of the modified surface colours. Certain degree of surface amorphization was observed to be associated with the above N-ion implantation.

Utilization of Natural Products as Functional Feed

Directory of Open Access Journals (Sweden)

Stella Magdalena

2013-03-01

Full Text Available The use of antibiotics as feed additive improves performance in livestock. However, scientific data related to the use of antibiotics in feed merge spreading of bacterial resistance in animal and human bodies, therefore the usage of antibiotics in animal production is restricted. This condition raise the utilization of natural antibiotic as functional feed such as phytogenics (essential oil, flavonoid, saponin, and tannin, enzyme, probiotic, and prebiotic to improve the livestock’s performance, quality, and health. Functional feeds increase profitability in animal husbandry production and its use is feeds are expected to be functional foods that may have positive effects in human nutrition.

Surface Acoustic Wave (SAW-Enhanced Chemical Functionalization of Gold Films

Directory of Open Access Journals (Sweden)

Gina Greco

2017-10-01

Full Text Available Surface chemical and biochemical functionalization is a fundamental process that is widely applied in many fields to add new functions, features, or capabilities to a material’s surface. Here, we demonstrate that surface acoustic waves (SAWs can enhance the chemical functionalization of gold films. This is shown by using an integrated biochip composed by a microfluidic channel coupled to a surface plasmon resonance (SPR readout system and by monitoring the adhesion of biotin-thiol on the gold SPR areas in different conditions. In the case of SAW-induced streaming, the functionalization efficiency is improved ≈ 5 times with respect to the case without SAWs. The technology here proposed can be easily applied to a wide variety of biological systems (e.g., proteins, nucleic acids and devices (e.g., sensors, devices for cell cultures.

Radioactivity distribution measurement of various natural material surfaces with imaging plate

International Nuclear Information System (INIS)

Mori, C.; Suzuki, T.; Koido, S.; Uritani, A.; Yanagida, K.; Wu, Y.; Nishizawa, K.

1996-01-01

Distribution images of natural radioactivity in natural materials such as vegetables were obtained by using Imaging Platc. In ssuch cases, it is necessary to reduce background radiation intensity by one order or more. Graded shielding is very important. Espacially, the innermost surface of a shielding box sshould be covered with acrylic rein plate. We obtained natural radioactivity distribution images of vegetable, sea food, mea etc. Most β-rays emitted from 40 K print the radioactivity distribution image. Comparison between γ-ray intensity of KCL solution measured with HPGe detector and that of natural material specimen gave the radioactivity around 0.06- 0.04Bq/g depending on the kind and the part of specimens. (author). 6 refs., 5 figs., 1 tab

Blocked-micropores, surface functionalized, bio-compatible and silica-coated iron oxide nanocomposites as advanced MRI contrast agent

International Nuclear Information System (INIS)

Darbandi, Masih; Laurent, Sophie; Busch, Martin; Li Zian; Yuan Ying; Krüger, Michael; Farle, Michael; Winterer, Markus; Vander Elst, Luce; Muller, Robert N.; Wende, Heiko

2013-01-01

Biocompatible magnetic nanoparticles have been found promising in several biomedical applications for tagging, imaging, sensing and separation in recent years. In this article, a systematic study of the design and development of surface-modification schemes for silica-coated iron oxide nanoparticles (IONP) via a one-pot, in situ method at room temperature is presented. Silica-coated IONP were prepared in a water-in-oil microemulsion, and subsequently the surface was modified via addition of organosilane reagents to the microemulsion system. The structure and the morphology of the as synthesized nanoparticles have been investigated by means of transmission electron microscopy (TEM) and measurement of N 2 adsorption–desorption. Electron diffraction and high-resolution transmission electron microscopic (TEM) images of the nanoparticles showed the highly crystalline nature of the IONP structures. Nitrogen adsorption indicates microporous and blocked-microporous structures for the silica-coated and amine functionalized silica-coated IONP, respectively which could prove less cytotoxicity of the functionalized final product. Besides, the colloidal stability of the final product and the presence of the modified functional groups on top of surface layer have been proven by zeta-potential measurements. Owing to the benefit from the inner IONP core and the hydrophilic silica shell, the as-synthesized nanocomposites were exploited as an MRI contrast enhancement agent. Relaxometric results prove that the surface functionalized IONP have also signal enhancement properties. These surface functionalized nanocomposites are not only potential candidates for highly efficient contrast agents for MRI, but could also be used as ultrasensitive biological-magnetic labels, because they are in nanoscale size, having magnetic properties, blocked-microporous and are well dispersible in biological environment.

In-situ Evaluation of Soil Organic Molecules: Functional Group Chemistry Aggregate Structures, Metal and Surface Complexation Using Soft X-Ray

International Nuclear Information System (INIS)

Myneni, Satish C.

2008-01-01

Organic molecules are common in all Earth surface environments, and their composition and chemistry play an important role in a variety of biogeochemical reactions, such as mineral weathering, nutrient cycling and the solubility and transport of contaminants. However, most of what we know about the chemistry of these molecules comes from spectroscopy and microscopy studies of organic molecules extracted from different natural systems using either inorganic or organic solvents. Although all these methods gave us clues about the composition of these molecules, their composition and structure change with the extraction and the type of ex-situ analysis, their true behavior is less well understood. The goal of this project is to develop synchrotron instrumentation for studying natural organics, and to apply these recently developed synchrotron X-ray spectroscopy and microscopy techniques for understanding the: (1) functional group composition of naturally occurring organic molecules; (2) macromolecular structures of organic molecules; and (3) the nature of interactions of organic molecules with mineral surfaces in different environmental conditions.

Dental prostheses mimic the natural enamel behavior under functional loading: A review article

Directory of Open Access Journals (Sweden)

Ahmed A. Madfa

2016-02-01

Full Text Available Alumina- and zirconia-based ceramic dental restorations are designed to repair functionality as well as esthetics of the failed teeth. However, these materials exhibited several performance deficiencies such as fracture, poor esthetic properties of ceramic cores (particularly zirconia cores, and difficulty in accomplishing a strong ceramic–resin-based cement bond. Therefore, improving the mechanical properties of these ceramic materials is of great interest in a wide range of disciplines. Consequently, spatial gradients in surface composition and structure can improve the mechanical integrity of ceramic dental restorations. Thus, this article reviews the current status of the functionally graded dental prostheses inspired by the dentino-enamel junction (DEJ structures and the linear gradation in Young's modulus of the DEJ, as a new material design approach, to improve the performance compared to traditional dental prostheses. This is a remarkable example of nature's ability to engineer functionally graded dental prostheses. The current article opens a new avenue for recent researches aimed at the further development of new ceramic dental restorations for improving their clinical durability.

Functional dynamics of cell surface membrane proteins.

Science.gov (United States)

Nishida, Noritaka; Osawa, Masanori; Takeuchi, Koh; Imai, Shunsuke; Stampoulis, Pavlos; Kofuku, Yutaka; Ueda, Takumi; Shimada, Ichio

2014-04-01

Cell surface receptors are integral membrane proteins that receive external stimuli, and transmit signals across plasma membranes. In the conventional view of receptor activation, ligand binding to the extracellular side of the receptor induces conformational changes, which convert the structure of the receptor into an active conformation. However, recent NMR studies of cell surface membrane proteins have revealed that their structures are more dynamic than previously envisioned, and they fluctuate between multiple conformations in an equilibrium on various timescales. In addition, NMR analyses, along with biochemical and cell biological experiments indicated that such dynamical properties are critical for the proper functions of the receptors. In this review, we will describe several NMR studies that revealed direct linkage between the structural dynamics and the functions of the cell surface membrane proteins, such as G-protein coupled receptors (GPCRs), ion channels, membrane transporters, and cell adhesion molecules. Copyright © 2013 Elsevier Inc. All rights reserved.

Hydrodynamic Characterization of a Surface Storage Zone in a Natural Stream

Science.gov (United States)

Sandoval Ulloa, J. C.; Escauriaza, C. R.; Mignot, E.; Mao, L.

2015-12-01

Flow developed in surface storage zones in rivers is very important for many physical and biogeochemical processes. These regions are characterized by low velocities compared to the flow in the main channel and long residence times that favor the deposition of contaminants, nutrient uptake and interactions with reactive sediments. The dynamics of the turbulent flows in these zones is very complex, typically characterized by a shear layer that induces a recirculating area, with multiple large-scale coherent structures of different temporal and spatial scales. In this work we present the methodology and analysis of measurements in a natural surface storage zone. We report detailed information of a field campaign carried out in the Lluta River, located in northern Chile in the high altitude Andean environment known as the Altiplano (~4,000 masl). The area of study has great interest for the river ecosystem, since the water has high concentration levels of arsenic and other metals. The Lluta River is also a water source for many agricultural communities and urban centers located in the lower parts of the watershed. Field information obtained was: detailed topography, 3D velocity components in several points, and sediment arsenic concentration in the main channel and in the recirculating region of the natural surface storage zone. Topography was obtained through DGPS and digital image processing. The 3D velocity field was measured with an acoustic Doppler velocimeter (ADV) and surface velocity data was obtained through the LSPIV technique. Arsenic concentration was obtained by sediment sampling analysis. With this data we analyze the flow topology and characteristics features of the velocity, which constitute the controlling mechanisms of contaminant transport in the field. In addition, we contrast with preliminary results of a three-dimensional (3D) numerical simulation, to determine the influence of different parameters on the transport and mixing processes in natural

Work function modifications of graphite surface via oxygen plasma treatment

Science.gov (United States)

Duch, J.; Kubisiak, P.; Adolfsson, K. H.; Hakkarainen, M.; Golda-Cepa, M.; Kotarba, A.

2017-10-01

The surface modification of graphite by oxygen plasma was investigated experimentally (X-ray diffraction, nanoparticle tracking analysis, laser desorption ionization mass spectrometry, thermogravimetry, water contact angle) and by molecular modelling (Density Functional Theory). Generation of surface functional groups (mainly sbnd OHsurf) leads to substantial changes in electrodonor properties and wettability gauged by work function and water contact angle, respectively. The invoked modifications were analyzed in terms of Helmholtz model taking into account the theoretically determined surface dipole moment of graphite-OHsurf system (μ = 2.71 D) and experimentally measured work function increase (from 0.75 to 1.02 eV) to determine the sbnd OH surface coverage (from 0.70 to 1.03 × 1014 groups cm-2). Since the plasma treatment was confined to the surface, the high thermal stability of the graphite material was preserved as revealed by the thermogravimetric analysis. The obtained results provide a suitable quantitative background for tuning the key operating parameters of carbon electrodes: electronic properties, interaction with water and thermal stability.

Modeling the microstructure of surface by applying BRDF function

Science.gov (United States)

Plachta, Kamil

2017-06-01

The paper presents the modeling of surface microstructure using a bidirectional reflectance distribution function. This function contains full information about the reflectance properties of the flat surfaces - it is possible to determine the share of the specular, directional and diffuse components in the reflected luminous stream. The software is based on the authorial algorithm that uses selected elements of this function models, which allows to determine the share of each component. Basing on obtained data, the surface microstructure of each material can be modeled, which allows to determine the properties of this materials. The concentrator directs the reflected solar radiation onto the photovoltaic surface, increasing, at the same time, the value of the incident luminous stream. The paper presents an analysis of selected materials that can be used to construct the solar concentrator system. The use of concentrator increases the power output of the photovoltaic system by up to 17% as compared to the standard solution.

The protective nature of passivation films on zinc: surface charge

International Nuclear Information System (INIS)

Muster, Tim H.; Cole, Ivan S.

2004-01-01

The influence of oxide surface charge on the corrosion performance of zinc metals was investigated. Oxidised zinc species (zinc oxide, zinc hydroxychloride, zinc hydroxysulfate and zinc hydroxycarbonate) with chemical compositions similar to those produced on zinc during atmospheric corrosion were formed as particles from aqueous solution, and as passive films deposited onto zinc powder, and rolled zinc, surfaces. Synthesized oxides were characterised by X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy and electron probe X-ray microanalysis. The zeta potentials of various oxide particles, as determined by microelectrophoresis, are reported as a function of pH. Particulates containing a majority of zinc hydroxycarbonate and zinc hydroxysulfate crystallites were found to possess a negative surface charge below pH 6, whilst zinc oxide-hydroxide and zinc hydroxychloride crystallites possessed isoelectric points (IEP's) higher than pH 8. The ability of chloride species to pass through a bed of 3 μm diameter zinc powder was found to increase for surfaces possessing carboxy and sulfate surface species, suggesting that negatively charged surfaces can aid in the repulsion of chloride ions. Electrochemical analysis of the open-circuit potential as a function of time at a fixed pH of 6.5 showed that the chemical composition of passive films on zinc plates influenced the ability of chloride ions to access anodic sites for periods of approximately 1 h

Surface functionalization by fine ultraviolet-patterning of nanometer-thick liquid lubricant films

International Nuclear Information System (INIS)

Lu, Renguo; Zhang, Hedong; Komada, Suguru; Mitsuya, Yasunaga; Fukuzawa, Kenji; Itoh, Shintaro

2014-01-01

Highlights: • We present fine UV-patterning of nm-thick liquid films for surface functionalization. • The patterned films exhibit both a morphological pattern and a functional pattern of different surface properties. • The finest pattern linewidth was 0.5 μm. • Fine patterning is crucial for improving surface and tribological properties. - Abstract: For micro/nanoscale devices, surface functionalization is essential to achieve function and performance superior to those that originate from the inherent bulk material properties. As a method of surface functionalization, we dip-coated nanometer-thick liquid lubricant films onto solid surfaces and then patterned the lubricant films with ultraviolet (UV) irradiation through a photomask. Surface topography, adhesion, and friction measurements demonstrated that the patterned films feature a concave–convex thickness distribution with thicker lubricant in the irradiated regions and a functional distribution with lower adhesion and friction in the irradiated convex regions. The pattern linewidth ranged from 100 to as fine as 0.5 μm. The surface functionalization effect of UV-patterning was investigated by measuring the water contact angles, surface energies, friction forces, and depletion of the patterned, as-dipped, and full UV-irradiated lubricant films. The full UV-irradiated lubricant film was hydrophobic with a water contact angle of 102.1°, and had lower surface energy, friction, and depletion than the as-dipped film, which was hydrophilic with a water contact angle of 80.7°. This demonstrates that UV irradiation substantially improves the surface and tribological properties of the nanometer-thick liquid lubricant films. The UV-patterned lubricant films exhibited superior surface and tribological properties than the as-dipped film. The water contact angle increased and the surface energy, friction, and depletion decreased as the pattern linewidth decreased. In particular, the 0.5-μm patterned lubricant

Characterization of Natural Dyes and Traditional Korean Silk Fabric by Surface Analytical Techniques

Directory of Open Access Journals (Sweden)

Yeonhee Lee

2013-05-01

Full Text Available Time-of-flight secondary ion mass spectrometry (TOF-SIMS and X-ray photoelectron spectroscopy (XPS are well established surface techniques that provide both elemental and organic information from several monolayers of a sample surface, while also allowing depth profiling or image mapping to be carried out. The static TOF-SIMS with improved performances has expanded the application of TOF-SIMS to the study of a variety of organic, polymeric and biological materials. In this work, TOF-SIMS, XPS and Fourier Transform Infrared (FTIR measurements were used to characterize commercial natural dyes and traditional silk fabric dyed with plant extracts dyes avoiding the time-consuming and destructive extraction procedures necessary for the spectrophotometric and chromatographic methods previously used. Silk textiles dyed with plant extracts were then analyzed for chemical and functional group identification of their dye components and mordants. TOF-SIMS spectra for the dyed silk fabric showed element ions from metallic mordants, specific fragment ions and molecular ions from plant-extracted dyes. The results of TOF-SIMS, XPS and FTIR are very useful as a reference database for comparison with data about traditional Korean silk fabric and to provide an understanding of traditional dyeing materials. Therefore, this study shows that surface techniques are useful for micro-destructive analysis of plant-extracted dyes and Korean dyed silk fabric.

Characterization of Natural Dyes and Traditional Korean Silk Fabric by Surface Analytical Techniques

Science.gov (United States)

Lee, Jihye; Kang, Min Hwa; Lee, Kang-Bong; Lee, Yeonhee

2013-01-01

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy (XPS) are well established surface techniques that provide both elemental and organic information from several monolayers of a sample surface, while also allowing depth profiling or image mapping to be carried out. The static TOF-SIMS with improved performances has expanded the application of TOF-SIMS to the study of a variety of organic, polymeric and biological materials. In this work, TOF-SIMS, XPS and Fourier Transform Infrared (FTIR) measurements were used to characterize commercial natural dyes and traditional silk fabric dyed with plant extracts dyes avoiding the time-consuming and destructive extraction procedures necessary for the spectrophotometric and chromatographic methods previously used. Silk textiles dyed with plant extracts were then analyzed for chemical and functional group identification of their dye components and mordants. TOF-SIMS spectra for the dyed silk fabric showed element ions from metallic mordants, specific fragment ions and molecular ions from plant-extracted dyes. The results of TOF-SIMS, XPS and FTIR are very useful as a reference database for comparison with data about traditional Korean silk fabric and to provide an understanding of traditional dyeing materials. Therefore, this study shows that surface techniques are useful for micro-destructive analysis of plant-extracted dyes and Korean dyed silk fabric. PMID:28809257

Sediment bacterial community structures and their predicted functions implied the impacts from natural processes and anthropogenic activities in coastal area.

Science.gov (United States)

Su, Zhiguo; Dai, Tianjiao; Tang, Yushi; Tao, Yile; Huang, Bei; Mu, Qinglin; Wen, Donghui

2018-06-01

Coastal ecosystem structures and functions are changing under natural and anthropogenic influences. In this study, surface sediment samples were collected from disturbed zone (DZ), near estuary zone (NEZ), and far estuary zone (FEZ) of Hangzhou Bay, one of the most seriously polluted bays in China. The bacterial community structures and predicted functions varied significantly in different zones. Firmicutes were found most abundantly in DZ, highlighting the impacts of anthropogenic activities. Sediment total phosphorus was most influential on the bacterial community structures. Predicted by PICRUSt analysis, DZ significantly exceeded FEZ and NEZ in the subcategory of Xenobiotics Biodegradation and Metabolism; and DZ enriched all the nitrate reduction related genes, except nrfA gene. Seawater salinity and inorganic nitrogen, respectively as the representative natural and anthropogenic factor, performed exact-oppositely in nitrogen metabolism functions. The changes of bacterial community compositions and predicted functions provide a new insight into human-induced pollution impacts on coastal ecosystem. Copyright © 2018 Elsevier Ltd. All rights reserved.

Nature of adsorption on TiC(111) investigated with density-functional calculations

Science.gov (United States)

Ruberto, Carlo; Lundqvist, Bengt I.

2007-06-01

Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface. Calculations are also performed for O on TiC(001), for full O(1×1) monolayer on TiC(111), as well as for bulk TiC and for the clean TiC(111) and (001) surfaces. Detailed results concerning atomic structures, energetics, and electronic structures are presented. For the bulk and the clean surfaces, previous results are confirmed. In addition, detailed results are given on the presence of C-C bonds in the bulk and at the surface, as well as on the presence of a Ti-based surface resonance (TiSR) at the Fermi level and of C-based surface resonances (CSR’s) in the lower part of the surface upper valence band. For the adsorption, adsorption energies Eads and relaxed geometries are presented, showing great variations characterized by pyramid-shaped Eads trends within each period. An extraordinarily strong chemisorption is found for the O atom, 8.8eV /adatom. On the basis of the calculated electronic structures, a concerted-coupling model for the chemisorption is proposed, in which two different types of adatom-substrate interactions work together to provide the obtained strong chemisorption: (i) adatom-TiSR and (ii) adatom-CSR’s. This model is used to successfully describe the essential features of the calculated Eads trends. The fundamental nature of this model, based on the Newns-Anderson model, should make it apt for general application to transition-metal carbides and nitrides and for predictive purposes in technological applications, such as cutting-tool multilayer coatings and MAX phases.

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Science.gov (United States)

Tachikawa, Hiroto

2017-02-01

Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4-37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2-7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8-28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

Natural radioactivity assessment of surface sediments in the Yangtze Estuary

International Nuclear Information System (INIS)

Wang, Jinlong; Du, Jinzhou; Bi, Qianqian

2017-01-01

The activities of the natural radionuclides ( 238 U, 232 Th, 226 Ra and 40 K) of the surface sediments in the Yangtze Estuary were determined and used to evaluate radiation hazards in the study area. The of activities of 238 U, 232 Th, 226 Ra and 40 K ranges from 14.1 to 62.3, 26.1 to 71.9, 13.7 to 52.3, and 392 to 898 Bq kg −1 , respectively, which were comparable to values of other regions in China. The activities of 232 Th, 40 K and 226 Ra were clearly different from the global recommended values. The radium equivalent activity was less than the recommended limit of 370 Bq kg −1 ; therefore, the sediment in this area can be safely used for reclamation. The external hazard index values were less than one. The average absorbed gamma dose rate and annual effective dose equivalent values were slightly greater than the world average value. 226 Ra/ 238 U and 232 Th/ 238 U ratios could potentially be applied for tracing sediment source. - Highlights: • The natural radioactivity of surface sediments in the Yangtze Estuary was observed. • The radiological hazards of the sediments are insignificant in this study area. • The ratios of natural radionuclides can potentially be applied for sediment source.

Tunable natural nano-arrays : controlling surface properties and light reflectance

International Nuclear Information System (INIS)

Watson, J.A.; Myhra, S.; Cribb, B.W.; Hope, G.A.; Watson, G.S.

2005-01-01

A sudden transition or impedance mismatch from one optical medium to another can result in unwanted reflections from the surface plane. Modification of a surface by creation of a gradual change in refractive index over a significant portion of a wavelength range will result in a reduction in reflection. Multi-layered thin film coatings based on this phenomenon are widely used on a number of different surfaces (e.g. solar cells, lenses, display screens etc.) to suppress undesired reflections and/or increase light transmittance. An alternative surface modification to the multi-layered stack coating (gradient index coating) is to produce a surface with structures having a period and heights shorter than the light wavelength. These structures act like a pseudo-gradient index coating and can be described by the effective medium theory. In this study we report on nano-structures (a natural pseudo-gradient index coating) which we have found on certain species of cicada wings demonstrating their reflective effectiveness using manipulative atomic force microscopy. (author). 2 refs., 5 figs

A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide

Energy Technology Data Exchange (ETDEWEB)

Shields, Ashley E. [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Santos-Carballal, David [School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom); Leeuw, Nora H. de, E-mail: DeLeeuwN@Cardiff.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom)

2016-05-15

Thorium dioxide is of significant research interest for its use as a nuclear fuel, particularly as part of mixed oxide fuels. We present the results of a density functional theory (DFT) study of uranium-substituted thorium dioxide, where we found that increasing levels of uranium substitution increases the covalent nature of the bonding in the bulk ThO{sub 2} crystal. Three low Miller index surfaces have been simulated and we propose the Wulff morphology for a ThO{sub 2} particle and STM images for the (100), (110), and (111) surfaces studied in this work. We have also calculated the adsorption of a uranium atom and the U adatom is found to absorb strongly on all three surfaces, with particular preference for the less stable (100) and (110) surfaces, thus providing a route to the incorporation of uranium into a growing thoria particle. - Highlights: • Uranium substitution in ThO{sub 2} is found to increase the covalent nature of the ionic bonding. • The (111), (110), and (100) surfaces of ThO{sub 2} are studied and the particle morphology is proposed. • STM images of the (111), (110), and (100) surfaces of ThO{sub 2} are simulated. • Uranium adsorption on the major surfaces of ThO{sub 2} is studied.

Theoretical studies of the work functions of Pd-based bimetallic surfaces

International Nuclear Information System (INIS)

Ding, Zhao-Bin; Wu, Feng; Wang, Yue-Chao; Jiang, Hong

2015-01-01

Work functions of Pd-based bimetallic surfaces, including mainly M/Pd(111), Pd/M, and Pd/M/Pd(111) (M = 4d transition metals, Cu, Au, and Pt), are studied using density functional theory. We find that the work function of these bimetallic surfaces is significantly different from that of parent metals. Careful analysis based on Bader charges and electron density difference indicates that the variation of the work function in bimetallic surfaces can be mainly attributed to two factors: (1) charge transfer between the two different metals as a result of their different intrinsic electronegativity, and (2) the charge redistribution induced by chemical bonding between the top two layers. The first factor can be related to the contact potential, i.e., the work function difference between two metals in direct contact, and the second factor can be well characterized by the change in the charge spilling out into vacuum. We also find that the variation in the work functions of Pd/M/Pd(111) surfaces correlates very well with the variation of the d-band center of the surface Pd atom. The findings in this work can be used to provide general guidelines to design new bimetallic surfaces with desired electronic properties

Cholesterol overload impairing cerebellar function: the promise of natural products.

Science.gov (United States)

El-Sayyad, Hassan I H

2015-05-01

The cerebellum is the part of the brain most involved in controlling motor and cognitive function. The surface becomes convoluted, forming folia that have a characteristic internal structure of three layers including molecular, Purkinje cell, and granular layer. This complex neural network gives rise to a massive signal-processing capability. Cholesterol is a major constituent, derived by de novo synthesis and the blood-brain barrier. Cholesterol is tightly regulated between neurons and glia-that is, astrocytes, microglia, and oligodendrocytes-and is essential for normal brain development. The axon is wrapped by myelin (cholesterol, phospholipids, and glycosphingolipids) and made up of membranes of oligodendrocytes, separated by periodic gaps in the myelin sheath, called nodes of Ranvier. Hypercholesterolemia is associated with increased oxidative stress and the development of neurotoxicity and Alzheimer's disease. Treatment with natural products has been found to support improved brain function and reduce low-density-lipoprotein cholesterol level. Fish oil is one such product; among the many plant products are: Morus alba leaves, fruit, and bark; pomegranate fruit and peel; Barley β - glucans; date palm; and Allium sativum. The therapeutic potential was discussed in relation with the antilipidemic drugs, statins (HMG-CoA reductase inhibitors). Copyright © 2015 Elsevier Inc. All rights reserved.

Handling of micro objects: investigation of mechanical gripper functional surfaces

DEFF Research Database (Denmark)

Gegeckaite, Asta; Hansen, Hans Nørgaard; De Chiffre, Leonardo

2007-01-01

between the micro object and the gripper do not allow simple picking and releasing of the object. This effect can be overcome by modifying the functional surface of the gripper. The functional surface of the gripper was modified by different machining techniques. The results of this investigation...

Density Functional Theory and Atomic Force Microscopy Study of Oleate Functioned on Siderite Surface

Directory of Open Access Journals (Sweden)

Lixia Li

2018-01-01

Full Text Available Efficiently discovering the interaction of the collector oleate and siderite is of great significance for understanding the inherent function of siderite weakening hematite reverse flotation. For this purpose, investigation of the adsorption behavior of oleate on siderite surface was performed by density functional theory (DFT calculations associating with atomic force microscopy (AFM imaging. The siderite crystal geometry was computationally optimized via convergence tests. Calculated results of the interaction energy and the Mulliken population verified that the collector oleate adsorbed on siderite surface and the covalent bond was established as a result of electrons transferring from O1 atoms (in oleate molecule to Fe1 atoms (in siderite lattice. Therefore, valence-electrons’ configurations of Fe1 and O1 changed into 3d6.514s0.37 and 2s1.832p4.73 from 3d6.214s0.31 and 2s1.83p4.88 correspondingly. Siderite surfaces with or without oleate functioned were examined with the aid of AFM imaging in PeakForce Tapping mode, and the functioned siderite surface was found to be covered by vesicular membrane matters with the average roughness of 16.4 nm assuring the oleate adsorption. These results contributed to comprehending the interaction of oleate and siderite.

Rapid biochemical functionalization of technical surfaces by means of a photobleaching-based maskless projection lithography process

Science.gov (United States)

Waldbaur, Ansgar; Waterkotte, Björn; Leuthold, Juerg; Schmitz, Katja; Rapp, Bastian E.

2013-03-01

MEMS/MOEMS based systems are increasingly applied in the biological and biomedical context, e.g. in form of biosensors or substrates for monitoring biological responses such as cell migration. For such applications, technical surfaces have to be provided with suitable biochemical functionalization. Typical functionalization procedures include wet-chemical techniques based on self-assembled monolayers of thiols on gold or silanes on glass. These processes create binary patterns and are often of limited use if spatially constrained non-binary patterns like surface bound biochemical gradients have to be provided. In order to create gradients or patterns, methods such as direct spotting or dip pen nanolithography can be used. Here, gradients can be emulated by varying the spot density or the concentration of the solutions employed. However, these methods are serial in nature and are thus of limited use if large surface areas have to be patterned. We present a technique to generate gradients of biochemical function by a photobleaching-based process allowing fast large-scale patterning. The process is based on photobleaching resulting in light-induced coupling of a fluorescently tagged biomolecule to a technical surface by concerted bleaching of the fluorophore. We custom designed a maskless projection lithography system based on a digital mirror device that allows the rapid creation of 8-bit grayscale protein patterns on any technical surface from digital data (e.g. bitmap files). We demonstrate how this process can be used to obtain patterns of several cm2 lateral size at micrometer resolution within minutes.

Smooth perfluorinated surfaces with different chemical and physical natures: their unusual dynamic dewetting behavior toward polar and nonpolar liquids.

Science.gov (United States)

Cheng, Dalton F; Masheder, Benjamin; Urata, Chihiro; Hozumi, Atsushi

2013-09-10

The effects of surface chemistry and the mobility of surface-tethered functional groups of various perfluorinated surfaces on their dewetting behavior toward polar (water) and nonpolar (n-hexadecane, n-dodecane, and n-decane) liquids were investigated. In this study, three types of common smooth perfluorinated surfaces, that is, a perfluoroalkylsilane (heptadecafluoro-1,1,2,2-tetrahydrooctyl-dimethylchlorosilane, FAS17) monomeric layer, an amorphous fluoropolymer film (Teflon AF 1600), and a perfluorinated polyether (PFPE)-terminated polymer brush film (Optool DSX), were prepared and their static/dynamic dewetting characteristics were compared. Although the apparent static contact angles (CAs) of these surfaces with all probe liquids were almost identical to each other, the ease of movement of liquid drops critically depended on the physical (solidlike or liquidlike) natures of the substrate surface. CA hysteresis and substrate tilt angles (TAs) of all probe liquids on the Optool DSX surface were found to be much lower than those of Teflon AF1600 and FAS17 surfaces due to its physical polymer chain mobility at room temperature and the resulting liquidlike nature. Only 6.0° of substrate incline was required to initiate movement for a small drop (5 μL) of n-decane, which was comparable to the reported substrate TA value (5.3°) for a superoleophobic surface (θ(S) > 160°, textured perfluorinated surface). Such unusual dynamic dewetting behavior of the Optool DSX surface was also markedly enhanced due to the significant increase in the chain mobility of PFPE by moderate heating (70 °C) of the surface, with substrate TA reducing to 3.0°. CA hysteresis and substrate TAs rather than static CAs were therefore determined to be of greater consequence for the estimation of the actual dynamic dewetting behavior of alkane probe liquids on these smooth perfluorinated surfaces. Their dynamic dewettability toward alkane liquids is in the order of Optool DSX > Teflon AF1600 �

Investigation of surface properties of physico-chemically modified natural fibres using inverse gas chromatography

CSIR Research Space (South Africa)

Cordeiro, N

2011-01-01

Full Text Available Inverse gas chromatography (IGC) is a suitable method to determine surface energy of natural fibres when compared to wetting techniques. In the present study, the surface properties of raw and modified lignocellulosic fibres have been investigated...

Adsorption and ring-opening of lactide on the chiral metal surface Pt(321){sup S} studied by density functional theory

Energy Technology Data Exchange (ETDEWEB)

Franke, J.-H.; Kosov, D. S. [Department of Physics, Campus Plaine - CP 231, Universite Libre de Bruxelles, 1050 Brussels (Belgium)

2015-01-28

We study the adsorption and ring-opening of lactide on the naturally chiral metal surface Pt(321){sup S}. Lactide is a precursor for polylactic acid ring-opening polymerization, and Pt is a well known catalyst surface. We study, here, the energetics of the ring-opening of lactide on a surface that has a high density of kink atoms. These sites are expected to be present on a realistic Pt surface and show enhanced catalytic activity. The use of a naturally chiral surface also enables us to study potential chiral selectivity effects of the reaction at the same time. Using density functional theory with a functional that includes the van der Waals forces in a first-principles manner, we find modest adsorption energies of around 1.4 eV for the pristine molecule and different ring-opened states. The energy barrier to be overcome in the ring-opening reaction is found to be very small at 0.32 eV and 0.30 eV for LL- and its chiral partner DD-lactide, respectively. These energies are much smaller than the activation energy for a dehydrogenation reaction of 0.78 eV. Our results thus indicate that (a) ring-opening reactions of lactide on Pt(321) can be expected already at very low temperatures, and Pt might be a very effective catalyst for this reaction; (b) the ring-opening reaction rate shows noticeable enantioselectivity.

Density Functional Calculation of the 0.5ML-Terminated Allyl Mercaptan/Si(100)-(2 × 1) Surface

International Nuclear Information System (INIS)

Chun-Mei, Tang; Kai-Ming, Deng; Xuan, Chen; Chuan-Yun, Xiao; Yu-Zhen, Liu; Qun-Xiang, Li

2009-01-01

The structural and electronic properties of the 0.5 ML-terminated allyl mercaptan (ALM)/Si(100)-(2 × 1) surface are studied using the density functional method. The calculated absorption energy of the ALM molecule on the 0.5 ML-terminated ALM/Si(100)-(2 × 1) surface is 3.36 eV, implying that adsorption is strongly favorable. The electronic structure calculations show that the ALM/Si(100)-(2 × 1), the clean Si(100)-(2 × 1), and the fully-terminated H/Si(100)-(2 × 1) surfaces have the nature of an indirect band gap semiconductor. The highest occupied molecular orbital is dominated by the ALM, confirming the mechanism proposed by Hossain for its chain reaction. (condensed matter: structure, mechanical and thermal properties)

Work function and surface stability of tungsten-based thermionic electron emission cathodes

Science.gov (United States)

Jacobs, Ryan; Morgan, Dane; Booske, John

2017-11-01

Materials that exhibit a low work function and therefore easily emit electrons into vacuum form the basis of electronic devices used in applications ranging from satellite communications to thermionic energy conversion. W-Ba-O is the canonical materials system that functions as the thermionic electron emitter commercially used in a range of high-power electron devices. However, the work functions, surface stability, and kinetic characteristics of a polycrystalline W emitter surface are still not well understood or characterized. In this study, we examined the work function and surface stability of the eight lowest index surfaces of the W-Ba-O system using density functional theory methods. We found that under the typical thermionic cathode operating conditions of high temperature and low oxygen partial pressure, the most stable surface adsorbates are Ba-O species with compositions in the range of Ba0.125O-Ba0.25O per surface W atom, with O passivating all dangling W bonds and Ba creating work function-lowering surface dipoles. Wulff construction analysis reveals that the presence of O and Ba significantly alters the surface energetics and changes the proportions of surface facets present under equilibrium conditions. Analysis of previously published data on W sintering kinetics suggests that fine W particles in the size range of 100-500 nm may be at or near equilibrium during cathode synthesis and thus may exhibit surface orientation fractions well described by the calculated Wulff construction.

Natural background radioactivity of the earth's surface -- essential information for environmental impact studies

International Nuclear Information System (INIS)

Tauchid, M.; Grasty, R.L.

2002-01-01

An environmental impact study is basically a study of change. This change is compared to the preexisting conditions that are usually perceived to be the original one or the 'pristine' stage. Unfortunately reliable information on the 'so called' pristine stage is far from adequate. One of the essential parts of this information is a good knowledge of the earth's chemical make up, or its geochemistry. Presently available data on the geochemistry of the earth's surface, including those related to radioactive elements, are incomplete and inconsistent. The main reason why a number of regulations are judged to be too strict and disproportional to the risks that might be caused by some human activities, is the lack of reliable information on the natural global geochemical background on which environmental regulations should be based. The main objective of this paper is to present a view on the need for complete baseline information on the earth's surface environment and in particular its geochemical character. It is only through the availability of complete information, including reliable baseline information on the natural radioactivity, that an appropriate study on the potential effect of the various naturally occurring elements on human health be carried out. Presented here are a number of examples where the natural radioactivity of an entire country has been mapped, or is in progress. Also described are the ways these undertakings were accomplished. There is a general misconception that elevated radioactivity can be found only around uranium mines, nuclear power reactors and similar nuclear installations. As can be seen from some of these maps, the natural background radioactivity of the earth's surface closely reflects the underlying geological formations and their alteration products. In reality, properly regulated and managed facilities, the levels of radioactivity associated with many of these facilities are generally quite low relative to those associated with

Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission

KAUST Repository

Hola, Katerina; Bourlinos, Athanasios B.; Kozak, Ondrej; Berka, Karel; Siskova, Karolina M.; Havrdova, Marketa; Tucek, Jiri; Safarova, Klara; Otyepka, Michal; Giannelis, Emmanuel P.; Zboril, Radek

2014-01-01

We present a simple molecular approach to control the lipophilic/ hydrophilic nature of photoluminescent carbon dots (CDs) based on pyrolysis of alkyl gallate precursors. Depending on the gallic acid derivative used, CDs with different alkyl groups (methyl, propyl, lauryl) on the surface can be obtained by isothermal heating at 270 C. This precursor-derived approach allows not only the control of lipophilicity but also the length of the particular alkyl chain enables the control over both the size and photoluminescence (PL) of the prepared CDs. Moreover, the alkyl chains on the CDs surface can be readily converted to carboxylate groups via a mild base hydrolysis to obtain water dispersible CDs with a record biocompatibility. The observed differences in PL properties of CDs and time-resolved PL data, including contributions from carbogenic cores and surface functional group, are rationalized and discussed in detail using time-dependent density functional theory (TD-DFT) calculations. © 2013 Elsevier Ltd. All rights reserved.

Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission

KAUST Repository

Hola, Katerina

2014-04-01

We present a simple molecular approach to control the lipophilic/ hydrophilic nature of photoluminescent carbon dots (CDs) based on pyrolysis of alkyl gallate precursors. Depending on the gallic acid derivative used, CDs with different alkyl groups (methyl, propyl, lauryl) on the surface can be obtained by isothermal heating at 270 C. This precursor-derived approach allows not only the control of lipophilicity but also the length of the particular alkyl chain enables the control over both the size and photoluminescence (PL) of the prepared CDs. Moreover, the alkyl chains on the CDs surface can be readily converted to carboxylate groups via a mild base hydrolysis to obtain water dispersible CDs with a record biocompatibility. The observed differences in PL properties of CDs and time-resolved PL data, including contributions from carbogenic cores and surface functional group, are rationalized and discussed in detail using time-dependent density functional theory (TD-DFT) calculations. © 2013 Elsevier Ltd. All rights reserved.

Silver nanoprisms self-assembly on differently functionalized silica surface

International Nuclear Information System (INIS)

Pilipavicius, J; Chodosovskaja, A; Beganskiene, A; Kareiva, A

2015-01-01

In this work colloidal silica/silver nanoprisms (NPRs) composite coatings were made. Firstly colloidal silica sols were synthesized by sol-gel method and produced coatings on glass by dip-coating technique. Next coatings were silanized by (3-Aminopropyl)triethoxysilane (APTES), N-[3-(Trimethoxysilyl)propyl]ethylenediamine (AEAPTMS), (3- Mercaptopropyl)trimethoxysilane (MPTMS). Silver NPRs where synthesized via seed-mediated method and high yield of 94±15 nm average edge length silver NPRs were obtained with surface plasmon resonance peak at 921 nm. Silica-Silver NPRs composite coatings obtained by selfassembly on silica coated-functionalized surface. In order to find the most appropriate silanization way for Silver NPRs self-assembly, the composite coatings were characterized by scanning electron microscopy (SEM), dynamic light scattering (DLS), water contact angle (CA) and surface free energy (SFE) methods. Results have showed that surface functionalization is necessary to achieve self-assembled Ag NPRs layer. MPTMS silanized coatings resulted sparse distribution of Ag NPRs. Most homogeneous, even distribution composite coatings obtained on APTES functionalized silica coatings, while AEAPTMS induced strong aggregation of Silver NPRs

Water at surfaces with tunable surface chemistries

Science.gov (United States)

Sanders, Stephanie E.; Vanselous, Heather; Petersen, Poul B.

2018-03-01

Aqueous interfaces are ubiquitous in natural environments, spanning atmospheric, geological, oceanographic, and biological systems, as well as in technical applications, such as fuel cells and membrane filtration. Where liquid water terminates at a surface, an interfacial region is formed, which exhibits distinct properties from the bulk aqueous phase. The unique properties of water are governed by the hydrogen-bonded network. The chemical and physical properties of the surface dictate the boundary conditions of the bulk hydrogen-bonded network and thus the interfacial properties of the water and any molecules in that region. Understanding the properties of interfacial water requires systematically characterizing the structure and dynamics of interfacial water as a function of the surface chemistry. In this review, we focus on the use of experimental surface-specific spectroscopic methods to understand the properties of interfacial water as a function of surface chemistry. Investigations of the air-water interface, as well as efforts in tuning the properties of the air-water interface by adding solutes or surfactants, are briefly discussed. Buried aqueous interfaces can be accessed with careful selection of spectroscopic technique and sample configuration, further expanding the range of chemical environments that can be probed, including solid inorganic materials, polymers, and water immiscible liquids. Solid substrates can be finely tuned by functionalization with self-assembled monolayers, polymers, or biomolecules. These variables provide a platform for systematically tuning the chemical nature of the interface and examining the resulting water structure. Finally, time-resolved methods to probe the dynamics of interfacial water are briefly summarized before discussing the current status and future directions in studying the structure and dynamics of interfacial water.

Permanent isolation surface barrier: Functional performance

International Nuclear Information System (INIS)

Wing, N.R.

1993-10-01

This document presents the functional performance parameters for permanent isolation surface barriers. Permanent isolation surface barriers have been proposed for use at the Hanford Site (and elsewhere) to isolate and dispose of certain types of waste in place. Much of the waste that would be disposed of using in-place isolation techniques is located in subsurface structures, such as solid waste burial grounds, tanks, vaults, and cribs. Unless protected in some way, the wastes could be transported to the accessible environment via transport pathways, such as water infiltration, biointrusion, wind and water erosion, human interference, and/or gaseous release

Grafting of functionalized polymer on porous silicon surface using Grignard reagent

Science.gov (United States)

Tighilt, F.-Z.; Belhousse, S.; Sam, S.; Hamdani, K.; Lasmi, K.; Chazalviel, J. N.; Gabouze, N.

2017-11-01

Recently, considerable attention has been paid to the manipulation and the control of the physicochemical properties of porous silicon surfaces because of their crucial importance to the modern microelectronics industry. Hybrid structures consisting of deposited polymer on porous silicon surfaces are important to applications in microelectronics, photovoltaics and sensors (Ensafi et al., 2016; Kashyout et al., 2015; Osorio et al.; 2015; Hejjo et al., 2002) [1-4]. In many cases, the polymer can provide excellent mechanical and chemical protection of the substrate, changes the electrochemical interface characteristics of the substrate, and provides new ways to the functionalization of porous silicon surfaces for molecular recognition and sensing. In this work, porous silicon surface was modified by anodic treatment in ethynylmagnesium bromide electrolyte leading to the formation of a polymeric layer bearing some bromine substituents. Subsequently, the formed polymer is functionalized with amine molecules containing functional groups (carboxylic acid or pyridine) by a substitution reaction between bromine sites and amine groups (Hofmann reaction). The chemical composition of the modified porous silicon surfaces was investigated and the grafting of polymeric chains and functional groups on the porous silicon surface was confirmed by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) which displayed the principal characteristic peaks attributed to the different functional groups. Furthermore, the surface of the material was examined by scanning electron microscopy (SEM).

Ultrasonic Surface Measurements for the investigation of superficial alteration of natural stones

Science.gov (United States)

Meier, Thomas; Auras, Michael; Bilgili, Filiz; Christen, Sandra; Cristiano, Luigia; Krompholz, Rolf; Mosca, Ilaria; Rose, David

2013-04-01

Seismic waveform analysis is applicable also to the centimeter and decimeter scale for non-destructive testing of pavement, facades, plaster, sculptures, or load-bearing structures like pillars. Mostly transmission measurements are performed and travel-times of first arriving P-waves are considered that have limited resolution for the upper centimeters of an object. In contrast, surface measurements are well suited to quantify superficial alterations of material properties e.g. due to weathering. A number of surface measurements have been carried out in the laboratory as well as on real structures in order to study systematically the information content of ultrasonic waveforms and their variability under real conditions. As a preposition for ultrasonic waveform analysis, reproducible, broad-band measurements have to be carried out with a definite radiation pattern and an about 1 mm accuracy of the measurement geometry. We used special coupling devices for effective ultrasonic surface measurements in the laboratory as well as at real objects. Samples of concrete with varying composition and samples of natural stone - marble, tuff, and sandstone - were repeatedly weathered and tested by ultrasonic measurements. The resistance of the samples to weathering and the penetration depth of the weathering are analyzed. Furthermore, material specific calibration curves for changes in velocities of elastic waves due to weathering can be obtained by these tests. Tests on real structures have been carried out for marble (Schlossbrücke, Berlin) and sandstone (Porta Nigra, Trier). Altogether, these test measurements show clearly that despite of the internal inhomogeneity of many real objects, their surface roughness and topography especially ultrasonic Rayleigh waves are well suited to study material alterations in the upper centimeters. Dispersion of Rayleigh waves may be inverted for shear-wave velocity as a function of depth.

Regulating urban surface runoff through nature-based solutions - An assessment at the micro-scale.

Science.gov (United States)

Zölch, Teresa; Henze, Lisa; Keilholz, Patrick; Pauleit, Stephan

2017-08-01

Urban development leads to changes of surface cover that disrupt the hydrological cycle in cities. In particular, impermeable surfaces and the removal of vegetation reduce the ability to intercept, store and infiltrate rainwater. Consequently, the volume of stormwater runoff and the risk of local flooding rises. This is further amplified by the anticipated effects of climate change leading to an increased frequency and intensity of heavy rain events. Hence, urban adaptation strategies are required to mitigate those impacts. A nature-based solution, more and more promoted in politics and academia, is urban green infrastructure as it contributes to the resilience of urban ecosystems by providing services to maintain or restore hydrological functions. However, this poses a challenge to urban planners in deciding upon effective adaptation measures as they often lack information on the performance of green infrastructure to moderate surface runoff. It remains unclear what type of green infrastructure (e.g. trees, green roofs), offers the highest potential to reduce discharge volumes and to what extent. Against this background, this study provides an approach to gather quantitative evidence on green infrastructure's regulation potential. We use a micro-scale scenario modelling approach of different variations of green cover under current and future climatic conditions. The scenarios are modelled with MIKE SHE, an integrated hydrological simulation tool, and applied to a high density residential area of perimeter blocks in Munich, Germany. The results reveal that both trees and green roofs increase water storage capacities and hence reduce surface runoff, although the main contribution of trees lies in increasing interception and evapotranspiration, whereas green roofs allow for more retention through water storage in their substrate. With increasing precipitation intensities as projected under climate change their regulating potential decreases due to limited water

Clean by Nature. Lively Surfaces and the Holistic-Systemic Heritage of Contemporary Bionik.

Directory of Open Access Journals (Sweden)

Jan Mueggenburg

2014-09-01

Full Text Available This paper addresses questions regarding the prospering field of Bionik in Germany. Its starting point is the wide spread assumption that universal functional principles exist in nature and that these ‘solutions’ can be transferred into technological objects. Accordingly, advocates of Bionik herald the advent of a better world with more sustainable and efficient products of engineering. The so-called ‘functional surfaces’ occupy a special place within this contemporary version of biomimesis. Shark-skin-inspired swim suits, self-cleaning façade paints with lotus effect or drag reducing Dolphin-Skins for aircraft-wings are expected to improve the quality of life for everyone. It seems that skin and shell of living systems return as revenants to our technological world and live their afterlives as lively surfaces of everyday objects. This paper argues however, that understanding this attention to ‘natural engineering solutions’ in contemporary Bionik, one needs to focus on a different kind of afterlife. For baring the historic-epistemological roots allows fathoming direct connections to two widely influential historical concepts within the history of science in the 20th century: Biotechnik, a very popular bio-philosophical concept from the Weimar Republic of the 1920s and Bionics, an in many ways similar endeavor that emerged during the second wave of Cybernetics in the USA from around 1960. Both historical concepts share a certain proximity to a distinct holistic-systemic style of thinking that emerged during the 20th century and still resonates with the movement of Bionik in contemporary Germany. Based on the example of the lotus effect, I want to address three aspects of the afterlife of this holistic-systemic heritage in contemporary Bionik. First, the assumption that the best engineering solutions can be found in nature conceals the specific discursive and non-discursive complexity that forms the basis of all technological objects

An investigation of the functional groups on the surface of activated carbons

Directory of Open Access Journals (Sweden)

MARYTE DERVINYTE

2004-05-01

Full Text Available Activated carbons were produced in the laboratory from wood using a 20-run Plackett–Burman experimental design for 19 factors. The obtained batches of activated carbon were analysed by potentiometric titration and FTIR spectroscopy to determine the surface functional groups. The results obtained by potentiometric titration displayed the distribution of individual acidity constants of those groups in the pK range. Considering this parameter, the surface functional groups were divided into carboxyl, lactone and phenol. The linear regression equations reflecting the influence of each operation used for the synthesis on the amount of these functional groups in the obtained activated carbons were generated. The FTIR spectra were used in parallel for the evaluation of the amount and the type of the surface functional groups. Relationships between the two data sets obtained by potentiometric titration and FTIR spectroscopy were evaluated by correlation analysis. It was established that the amount of surface functional groups determined by potentiometric titration positively correlates with the intensity of the peaks of hydrophilic functional groups in the FTIR spectra. At the same time, the negative correlation between potentiometrically determined amount of surface functional groups and the intensity of peaks of hydrophobic functional groups was observed. Most probably, these non-polar formations can take part in the interaction of carbon surface with H+/OH- ions and diminish the strength of existent functional groups.

The impacts of nature experience on human cognitive function and mental health.

Science.gov (United States)

Bratman, Gregory N; Hamilton, J Paul; Daily, Gretchen C

2012-02-01

Scholars spanning a variety of disciplines have studied the ways in which contact with natural environments may impact human well-being. We review the effects of such nature experience on human cognitive function and mental health, synthesizing work from environmental psychology, urban planning, the medical literature, and landscape aesthetics. We provide an overview of the prevailing explanatory theories of these effects, the ways in which exposure to nature has been considered, and the role that individuals' preferences for nature may play in the impact of the environment on psychological functioning. Drawing from the highly productive but disparate programs of research in this area, we conclude by proposing a system of categorization for different types of nature experience. We also outline key questions for future work, including further inquiry into which elements of the natural environment may have impacts on cognitive function and mental health; what the most effective type, duration, and frequency of contact may be; and what the possible neural mechanisms are that could be responsible for the documented effects. © 2012 New York Academy of Sciences.

Direct quantification of negatively charged functional groups on membrane surfaces

KAUST Repository

Tiraferri, Alberto

2012-02-01

Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

The relationship between nature-based tourism and autonomic nervous system function among older adults.

Science.gov (United States)

Chang, Liang-Chih

2014-01-01

Nature-based tourism has recently become a topic of interest in health research. This study was aimed at examining relationships among nature-based tourism, stress, and the function of the autonomic nervous system (ANS). Three hundred and twenty-two older adults living in Taichung City, Taiwan, were selected as participants. Data were collected by a face-to-face survey that included measures of the frequency of participation in domestic and international nature-based tourism and the stress and ANS function of these participants. The data were analyzed using a path analysis. The results demonstrated that the frequency of participation in domestic nature-based tourism directly contributed to ANS function and that it also indirectly contributed to ANS function through stress reduction. Domestic nature-based tourism can directly and indirectly contribute to ANS function among older adults. Increasing the frequency of participation in domestic nature-based tourism should be considered a critical element of health programs for older adults. © 2014 International Society of Travel Medicine.

Hazard function theory for nonstationary natural hazards

Science.gov (United States)

Read, L.; Vogel, R. M.

2015-12-01

Studies from the natural hazards literature indicate that many natural processes, including wind speeds, landslides, wildfires, precipitation, streamflow and earthquakes, show evidence of nonstationary behavior such as trends in magnitudes through time. Traditional probabilistic analysis of natural hazards based on partial duration series (PDS) generally assumes stationarity in the magnitudes and arrivals of events, i.e. that the probability of exceedance is constant through time. Given evidence of trends and the consequent expected growth in devastating impacts from natural hazards across the world, new methods are needed to characterize their probabilistic behavior. The field of hazard function analysis (HFA) is ideally suited to this problem because its primary goal is to describe changes in the exceedance probability of an event over time. HFA is widely used in medicine, manufacturing, actuarial statistics, reliability engineering, economics, and elsewhere. HFA provides a rich theory to relate the natural hazard event series (x) with its failure time series (t), enabling computation of corresponding average return periods and reliabilities associated with nonstationary event series. This work investigates the suitability of HFA to characterize nonstationary natural hazards whose PDS magnitudes are assumed to follow the widely applied Poisson-GP model. We derive a 2-parameter Generalized Pareto hazard model and demonstrate how metrics such as reliability and average return period are impacted by nonstationarity and discuss the implications for planning and design. Our theoretical analysis linking hazard event series x, with corresponding failure time series t, should have application to a wide class of natural hazards.

Photoelectric work function measurement of a cesiated metal surface and its correlation with the surface-produced H- ion flux

International Nuclear Information System (INIS)

Wada, M.; Berkner, K.H.; Pyle, R.V.; Stearns, J.W.

1982-09-01

For application in plasma heating, fueling, and current drive of magnetic fusion devices, high current negative deuterium ion sources for intense neutral beam injectors are being developed using efficient production of negative hydrogen isotope ions on low work function metal surfaces imbedded in hydrogen plasmas. In order to investigate the correlation between work function and negative hydrogen ion production, photoelectron emission from a cesiated metal surface, which is immersed in a hydrogen plasma with an electron density less than 5 x 10 10 /cc, was measured in the photon energy range of 1.3 to 4.1 eV. The work function determination was based on Fowler's analysis, and at the optimum coverage a work function of less than 1.5 eV was observed for a Cs-Cu surface. Measured values of work functions for different Cs coverages were compared to the negative hydrogen currents produced at the metal surface in the discharge; the surface production of negative hydrogen ion current is monotonically increasing with decreasing work function

Versatile Surface Functionalization of Metal-Organic Frameworks through Direct Metal Coordination with a Phenolic Lipid Enables Diverse Applications

Energy Technology Data Exchange (ETDEWEB)

Zhu, Wei [Univ. of New Mexico, Albuquerque, NM (United States); Xiang, Guolei [Univ. of Cambridge (United Kingdom); Shang, Jin [Univ. of Hong Kong (China); Guo, Jimin [Univ. of New Mexico, Albuquerque, NM (United States); Motevalli, Benyamin [Monash Univ., Clayton, VIC (Australia); Durfee, Paul [Univ. of New Mexico, Albuquerque, NM (United States); Agola, Jacob Ongudi [Univ. of New Mexico, Albuquerque, NM (United States); Coker, Eric N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Brinker, C. Jeffrey [Univ. of New Mexico, Albuquerque, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2018-02-22

Here, a novel strategy for the versatile functionalization of the external surface of metal-organic frameworks (MOFs) has been developed based on the direct coordination of a phenolic-inspired lipid molecule DPGG (1,2-dipalmitoyl-sn-glycero-3-galloyl) with metal nodes/sites surrounding MOF surface. X-ray diffraction and Argon sorption analysis prove that the modified MOF particles retain their structural integrity and porosity after surface modification. Density functional theory calculations reveal that strong chelation strength between the metal sites and the galloyl head group of DPGG is the basic prerequisite for successful coating. Due to the pH-responsive nature of metal-phenol complexation, the modification process is reversible by simple washing in weak acidic water, showing an excellent regeneration ability for water-stable MOFs. Moreover, the colloidal stability of the modified MOFs in the nonpolar solvent allows them to be further organized into 2 dimensional MOF or MOF/polymer monolayers by evaporation-induced interfacial assembly conducted on an air/water interface. Lastly, the easy fusion of a second functional layer onto DPGG-modified MOF cores, enabled a series of MOF-based functional nanoarchitectures, such as MOFs encapsulated within hybrid supported lipid bilayers (so-called protocells), polyhedral core-shell structures, hybrid lipid-modified-plasmonic vesicles and multicomponent supraparticles with target functionalities, to be generated. for a wide range of applications.

Covalent Surface Functionalization of Boron Nitride Nanotubes Fabricated with Diazonium Salt

Directory of Open Access Journals (Sweden)

Zhujun Wang

2018-01-01

Full Text Available The chemical inertness and poor wetting properties of boron nitride nanotubes (BNNTs hindered their applications. In this work, BNNTs have been functionalized with aniline groups by reacting with diazonium salt and the graft content of aniline component was calculated as high as 71.4 wt.%. The chemical structure, composition, and morphology of functionalized BNNTs were carefully characterized to illustrate the modification. The anilinocarbocation generated by decomposition of diazonium salt reacted not only with NH2 sites, but also with B-OH sites on the surface of BNNTs. Meanwhile, the reaction applied a hot strong acid environment, which would help to open parts of B-N bonds to produce more reactive sites and enrich the functional groups grafted on the surface of BNNTs. Consequently, the functionalized BNNTs exhibited significantly improved dispersion stability in chloroform compared with pristine BNNTs. Amino surface functionalization of BNNTs offered more possibilities for surface chemical design of boron nitride and its practical application.

UV-protection of Natural and Synthetic Fabrics by Surface Treatment under the effect of Gamma Irradiation

International Nuclear Information System (INIS)

El-Naggar, AW.M.; Zohdy, M.H.; Ali, N.M.

2008-01-01

Synthetic and natural fabrics were surface coated with gamma radiation curable novel formulations. These formulations were based on naturally occurring Alum individually and in binary mixture with ZnO beside different functional oligomers and monomers. The physical properties of the treated fabrics were evaluated in terms of ultraviolet protection, moisture regain, and water absorption. Also, the effect of coating formulations on the crystallinity was investigated by X-ray diffraction (XRD). The results of ultraviolet protection factor (UPF) showed that the formulation containing 30% of Alum caused a significant UPF values (50+) according to standard rating over untreated fabrics. When ZnO was incorporated in the formulation, the UPF factor was increased by two folds. A decrease in the moisture regain and water absorption of fabrics was featured with ZnO, however, in case of Alum a decrease followed by an increase was observed. In conclusion, these novel coats could be taken as an nontoxic alternative UV-resist finishing agents for fabrics

Reduction mechanisms of ethylene carbonate on si anodes of lithium-ion batteries: effects of degree of lithiation and nature of exposed surface.

Science.gov (United States)

Martinez de la Hoz, Julibeth M; Leung, Kevin; Balbuena, Perla B

2013-12-26

Ab initio molecular dynamics simulations are used to identify mechanisms of reduction of ethylene carbonate on Si surfaces at various degrees of lithiation, where the low-coordinated surface Si atoms are saturated with O, OH, or H functional groups. The lowest Si content surfaces are represented by quasi-amorphous LiSi4 and LiSi2; intermediate lithiation is given by LiSi crystalline facets, and the highest Li content is studied through Li13Si4 surfaces. It is found that ethylene carbonate (EC) reduction mechanisms depend significantly on the degree of lithiation of the surface. On LiSi surfaces EC is reduced according to two different two-electron mechanisms (one simultaneous and one sequential), which are independent of specific surface functionalization or nature of exposed facets. On the less lithiated surfaces, the simultaneous two-electron reduction is found more frequently. In that mechanism, the EC reduction is initiated by the formation of a C-Si bond that allows adsorption of the intact molecule to the surface and is followed by electron transfer and ring-opening. Strongly lithiated Li13Si4 surfaces are found to be highly reactive. Reduction of adsorbed EC molecules occurs via a four-electron mechanism yielding as reduction products CO(2-) and O(C2H4)O(2-). Direct transfer of two electrons to EC molecules in liquid phase is also possible, resulting in the presence of O(C2H4)OCO(2-) anions in the liquid phase.

Functionality of novel black silicon based nanostructured surfaces studied by TOF SIMS

DEFF Research Database (Denmark)

Talian, Ivan; Aranyosiova, M.; Orinak, A.

2010-01-01

A functionality of the novel black silicon based nanostructured surfaces (BS 2) with different metal surface modifications was tested by time-of-flight secondary ion mass spectrometry (TOF SIMS). Mainly two surface functions were studied: analytical signal enhancement and analyte pre-ionization e......A functionality of the novel black silicon based nanostructured surfaces (BS 2) with different metal surface modifications was tested by time-of-flight secondary ion mass spectrometry (TOF SIMS). Mainly two surface functions were studied: analytical signal enhancement and analyte pre......-ionization effect in SIMS due to nanostructure type and the assistance of the noble metal surface coating (Ag or Au) for secondary ion formation. As a testing analyte a Rhodamine 6G was applied. Bi+ has been used as SIMS primary ions. It was found out that SIMS signal enhancement of the analyte significantly...... depends on Ag layer thickness and measured ion mode (negative, positive). The best SIMS signal enhancement was obtained at BS2 surface coated with 400 nm of Ag layer. SIMS fragmentation schemes were developed for a model analyte deposited onto a silver and gold surface. Significant differences in pre...

Surface functionalization of a polymeric lipid bilayer for coupling a model biological membrane with molecules, cells, and microstructures.

Science.gov (United States)

Morigaki, Kenichi; Mizutani, Kazuyuki; Saito, Makoto; Okazaki, Takashi; Nakajima, Yoshihiro; Tatsu, Yoshiro; Imaishi, Hiromasa

2013-02-26

We describe a stable and functional model biological membrane based on a polymerized lipid bilayer with a chemically modified surface. A polymerized lipid bilayer was formed from a mixture of two diacetylene-containing phospholipids, 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphocholine (DiynePC) and 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphoethanolamine (DiynePE). DiynePC formed a stable bilayer structure, whereas the ethanolamine headgroup of DiynePE enabled functional molecules to be grafted onto the membrane surface. Copolymerization of DiynePC and DiynePE resulted in a robust bilayer. Functionalization of the polymeric bilayer provided a route to a robust and biomimetic surface that can be linked with biomolecules, cells, and three-dimensional (3D) microstructures. Biotin and peptides were grafted onto the polymeric bilayer for attaching streptavidin and cultured mammalian cells by molecular recognition, respectively. Nonspecific adsorption of proteins and cells on polymeric bilayers was minimum. DiynePE was also used to attach a microstructure made of an elastomer (polydimethylsiloxan: PDMS) onto the membrane, forming a confined aqueous solution between the two surfaces. The microcompartment enabled us to assay the activity of a membrane-bound enzyme (cyochrome P450). Natural (fluid) lipid bilayers were incorporated together with membrane-bound proteins by lithographically polymerizing DiynePC/DiynePE bilayers. The hybrid membrane of functionalized polymeric bilayers and fluid bilayers offers a novel platform for a wide range of biomedical applications including biosensor, bioassay, cell culture, and cell-based assay.

A polymeric fastener can easily functionalize liposome surfaces with gadolinium for enhanced magnetic resonance imaging.

Science.gov (United States)

Smith, Cartney E; Shkumatov, Artem; Withers, Sarah G; Yang, Binxia; Glockner, James F; Misra, Sanjay; Roy, Edward J; Wong, Chun-Ho; Zimmerman, Steven C; Kong, Hyunjoon

2013-11-26

Common methods of loading magnetic resonance imaging (MRI) contrast agents into nanoparticles often suffer from challenges related to particle formation, complex chemical modification/purification steps, and reduced contrast efficiency. This study presents a simple, yet advanced process to address these issues by loading gadolinium, an MRI contrast agent, exclusively on a liposome surface using a polymeric fastener. The fastener, so named for its ability to physically link the two functional components together, consisted of chitosan substituted with diethylenetriaminepentaacetic acid (DTPA) to chelate gadolinium, as well as octadecyl chains to stabilize the modified chitosan on the liposome surface. The assembly strategy, mimicking the mechanisms by which viruses and proteins naturally anchor to a cell, provided greater T1 relaxivity than liposomes loaded with gadolinium in both the interior and outer leaflet. Gadolinium-coated liposomes were ultimately evaluated in vivo using murine ischemia models to highlight the diagnostic capability of the system. Taken together, this process decouples particle assembly and functionalization and, therefore, has considerable potential to enhance imaging quality while alleviating many of the difficulties associated with multifunctional particle fabrication.

Surface interpolation with radial basis functions for medical imaging

International Nuclear Information System (INIS)

Carr, J.C.; Beatson, R.K.; Fright, W.R.

1997-01-01

Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill

Self-consistent Green’s-function technique for surfaces and interfaces

DEFF Research Database (Denmark)

Skriver, Hans Lomholt; Rosengaard, N. M.

1991-01-01

We have implemented an efficient self-consistent Green’s-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short...... ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find...

PREFACE Surface Modifications and Functionalization of Materials for Biomedical Applications

Science.gov (United States)

Endrino, Jose Luis; Puértolas, Jose A.; Albella, Jose M.

2010-11-01

Conference photograph This special issue contains selected papers which were presented as invited and contributed communications at the workshop entitled 'Surface modification and functionalization of materials for biomedical applications' (BIO-COAT 2010) which was held on 24 June 2010 in Zaragoza (Spain). The surface of a material plays a major role in its interaction with the biological medium. Processes related to the mechanical stability of articular devices in contact, osseointegration, thrombogenicity, corrosion and leaching, or the inflammatory response of rejection of a material, are clearly conditioned by the surface properties. Therefore, the modification or functionalization of surfaces can have an important impact on these issues. New techniques for functionalization by thin film deposition or surface treatments help to improve superficial properties, while understanding the interaction of the surface-biological medium is critical for their application in new devices. Jointly organized by the Spanish Materials Research Society, BIO-COAT 2010 provided an open forum to discuss the progress and latest developments in thin film processing and the engineering of biomaterials. Invited lectures were particularly aimed at providing overviews on scientific topics and were given by recognized world-class scientists. Two of them have contributed with a proceedings article to this selected collection (articles 012001 and 012008). The contributed communications were focused on particular cutting-edge aspects of thin film science and functionalization technologies for biomaterials, showing the major scientific push of Spanish research groups in the field. The 2010 BIO-COAT conference was organized along four main topics: (1) functionalization and texture on surfaces, (2) tribology and corrosion, (3) the surface modification of biomaterials, and (4) surface-biological environment interactions. The papers published in this volume were accepted for publication after

Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp

2017-02-28

Highlights: • The reaction pathway of the hydrogen addition to graphene surface was determined by the DFT method. • Binding energies of atomic hydrogen to graphene surface were determined. • Absorption spectrum of hydrogenated graphene was theoretically predicted. • Hyperfine coupling constant of hydrogenated graphene was theoretically predicted. - Abstract: Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4–37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2–7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8–28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

Effects of ultraviolet irradiation on natural killer cell function in systemic lupus erythematosus

Energy Technology Data Exchange (ETDEWEB)

Nived, O.; Johansson, I.; Sturfelt, G. (University Hospital, Lund (Sweden). Dept. of Rheumatology)

1992-06-01

In vitro irradiation with long wavelength ultraviolet light (UV-A), in clinically relevant dosages, of a natural killer cell line containing cell preparations from 17 control subjects reduced natural killer cell cytotoxicity with the cell line K562 as target. The spontaneous function of natural killer cells from 12 patients with systematic lupus erythematosus (SLE) correlated inversely with the one hour erythrocyte sedimentation rate, but not with glucocorticoid doses. After UV-A exposure, natural killer cells from patients with SLE exert either increased or decreased cytotoxicity, and the direction of change is inversely correlated with the spontaneous natural killer cell function. (Author).

Effects of ultraviolet irradiation on natural killer cell function in systemic lupus erythematosus

International Nuclear Information System (INIS)

Nived, O.; Johansson, I.; Sturfelt, G.

1992-01-01

In vitro irradiation with long wavelength ultraviolet light (UV-A), in clinically relevant dosages, of a natural killer cell line containing cell preparations from 17 control subjects reduced natural killer cell cytotoxicity with the cell line K562 as target. The spontaneous function of natural killer cells from 12 patients with systematic lupus erythematosus (SLE) correlated inversely with the one hour erythrocyte sedimentation rate, but not with glucocorticoid doses. After UV-A exposure, natural killer cells from patients with SLE exert either increased or decreased cytotoxicity, and the direction of change is inversely correlated with the spontaneous natural killer cell function. (Author)

The natural weathering of staurolite: crystal-surface textures, relative stability, and the rate-determining step

Science.gov (United States)

Michael A. Velbel; Charles L. Basso; Michael J. Zieg

1996-01-01

Mineral surface-textures on naturally weathered crystals of staurolite [monoclinic, pseudo-orthorhombic; Fe4Al18Si8O46(OH)2] indicate that staurolite weathering is generally interface-limited. Etch pits on naturally weathered staurolites are disk-shaped,...

3-D description of fracture surfaces and stress-sensitivity analysis for naturally fractured reservoirs

Energy Technology Data Exchange (ETDEWEB)

Zhang, S.Q.; Jioa, D.; Meng, Y.F.; Fan, Y.

1997-08-01

Three kinds of reservoir cores (limestone, sandstone, and shale with natural fractures) were used to study the effect of morphology of fracture surfaces on stress sensitivity. The cores, obtained from the reservoirs with depths of 2170 to 2300 m, have fractures which are mated on a large scale, but unmated on a fine scale. A specially designed photoelectric scanner with a computer was used to describe the topography of the fracture surfaces. Then, theoretical analysis of the fracture closure was carried out based on the fracture topography generated. The scanning results show that the asperity has almost normal distributions for all three types of samples. For the tested samples, the fracture closure predicted by the elastic-contact theory is different from the laboratory measurements because plastic deformation of the aspirates plays an important role under the testing range of normal stresses. In this work, the traditionally used elastic-contact theory has been modified to better predict the stress sensitivity of reservoir fractures. Analysis shows that the standard deviation of the probability density function of asperity distribution has a great effect on the fracture closure rate.

EFFECT OF NATURAL PLANT EXTRACTS ON PORCINE OVARIAN FUNCTIONS

Directory of Open Access Journals (Sweden)

Attila Kádasi

2015-02-01

Full Text Available This report provides information about the impact of chosen natural plant extracts on basic ovarian functions. This article summarizes our results concerning the effect of selected plant extracts on proliferation, apoptosis and hormone secretion – release of progesterone (P4, testosterone (T and leptin (L on porcine granulosa cells (GC, We analyzed effects of ginkgo (GB, rooibos (RB, flaxseed (FL, green tea polyphenols (GTPP, green tea - epigallocatechin-3-gallate (EGCG, resveratrol (RSV and curcumin (CURC (0; 1; 10 and 100 μg.ml-1 on markers of proliferation, apoptosis and secretory activity of porcine ovarian granulosa cells by using immunocytochemistry and EIA. It was demonstrated, that all these natural plants and plant molecules inhibited the accumulation of proliferation-related peptide (PCNA and apoptosis-associated peptide (Bax in cultured. Furthermore, it was observed that natural plant extracts altered progesterone, testosterone and leptin release in porcine ovarian cells. It is concluded, that GB, RB, FL, RSV, CURC, GTPP and EGCG can directly affect ovarian cells and therefore they could potentially influence ovarian functions.

Effect of Ingredient Loading on Surface Migration Kinetics of Additives in Vulcanized Natural Rubber Compounds

Directory of Open Access Journals (Sweden)

Bryan B. Pajarito

2014-12-01

Full Text Available Surface migration kinetics of chemical additives in vulcanized natural rubber compounds were studied as function of ingredient loading. Rubber sheets were compounded according to a 212-8 fractional factorial design of experiment, where ingredients were treated as factors varied at two levels of loading. Amount of migrated additives in surface of rubber sheets was monitored through time at ambient conditions. The maximum amount and estimated rate of additive migration were determined from weight loss kinetic curves. Attenuated total reflection–Fourier transform infrared (ATR-FTIR spectroscopy and optical microscopy were used to characterize the chemical structure and surface morphology of sheet specimens during additive migration. ANOVA results showed that increased loading of reclaimed rubber, CaCO3, and paraffin wax signif icantly decreased the maximum amount of additive migration; by contrast, increased loading of used oil, asphalt, and mercaptobenzothiazole disulphide (MBTS increased the maximum amount. Increased loading of sulfur, diphenylguanidine (DPG, and paraffin wax significantly decreased the additive migration rate; increased loading of used oil, asphalt, and stearic acid elicited an opposite effect. Comparison of ATRFTIR spectra of migrated and cleaned rubber surfaces showed signif icant variation in intensity of specif ic absorbance bands that are also present in infrared spectra of migrating chemicals. Paraffin wax, used oil, stearic acid, MBTS, asphalt, and zinc stearate were identified to bloom and bleed in the rubber sheets. Optical micrographs of migrated rubber surfaces revealed formation of white precipitates due to blooming and of semi-transparent wet patches due to bleeding.

Natural cytolytic activity in mice with natural or induced cellular defects. I. Differential ability of in vitro interleukin-2 addition to augment natural cytolytic function

International Nuclear Information System (INIS)

Ades, E.W.; Hinson, A.; Butler, L.D.

1986-01-01

The ability of in vitro addition of recombinant interleukin 2 (rIL-2) to differentially enhance natural cytotoxicity was assessed using cells from mice with natural and induced cellular defects. In vivo treatment with most immunosuppressive or cytoreductive agents, anti-asialo-GM1 antibody, or gamma irradiation dramatically reduced in vitro cytotoxicity against natural killer (NK) sensitive targets by direct reduction in either percentage specific lysis or lytic units per spleen. In most cases, in vitro addition of rIL-2 (at concentrations causing augmented NK function in cells from naive Balb/C mice) enhanced cytotoxic activity of cells from treatment groups to a normal value but not within the rIL-2-enhanced range of nontreated animals. Additionally, cytotoxic activity of cells from animals treated with certain drugs or gamma irradiation could be augmented by rIL-2 when measured by percentage lysis but not lytic units per spleen. In vivo treatment with cyclosporin A did not affect natural cytotoxic activity and addition of rIL-2 augmented the NK activity in a similar fashion to the profile of naive cells. In experiments using cells from beige (C57Bl/6-bg) mice which have a natural defect in NK activity against YAC-1 targets, addition of rIL-2 (at concentrations causing augmented natural cytotoxic function in cells from C57Bl/6 mice) could not effectively enhance in vitro natural cytotoxic function

Natural cytolytic activity in mice with natural or induced cellular defects. I. Differential ability of in vitro interleukin-2 addition to augment natural cytolytic function

Energy Technology Data Exchange (ETDEWEB)

Ades, E.W.; Hinson, A.; Butler, L.D.

1986-08-01

The ability of in vitro addition of recombinant interleukin 2 (rIL-2) to differentially enhance natural cytotoxicity was assessed using cells from mice with natural and induced cellular defects. In vivo treatment with most immunosuppressive or cytoreductive agents, anti-asialo-GM1 antibody, or gamma irradiation dramatically reduced in vitro cytotoxicity against natural killer (NK) sensitive targets by direct reduction in either percentage specific lysis or lytic units per spleen. In most cases, in vitro addition of rIL-2 (at concentrations causing augmented NK function in cells from naive Balb/C mice) enhanced cytotoxic activity of cells from treatment groups to a normal value but not within the rIL-2-enhanced range of nontreated animals. Additionally, cytotoxic activity of cells from animals treated with certain drugs or gamma irradiation could be augmented by rIL-2 when measured by percentage lysis but not lytic units per spleen. In vivo treatment with cyclosporin A did not affect natural cytotoxic activity and addition of rIL-2 augmented the NK activity in a similar fashion to the profile of naive cells. In experiments using cells from beige (C57Bl/6-bg) mice which have a natural defect in NK activity against YAC-1 targets, addition of rIL-2 (at concentrations causing augmented natural cytotoxic function in cells from C57Bl/6 mice) could not effectively enhance in vitro natural cytotoxic function.

Effect of fusion mixture treatment on the surface of low grade natural ruby

Energy Technology Data Exchange (ETDEWEB)

Sakthivel, R., E-mail: velsak_r@yahoo.com; Pradhan, K.C.; Nayak, B.B.; Dash, Tapan; Sahu, R.K.; Mishra, B.K.

2017-05-01

Graphical abstract: The colour of low grade natural ruby is enhanced with fusion mixture treatment. Comparative optical absorption and photoluminesence properties of both untreated and treated ruby samples are studied. - Highlights: • Colour of the low grade natural ruby is improved with fusion mixture treatment. • Surface impurities are removed with fusion mixture. • Photoluminescence spectrum of ruby influenced by its Cr{sup 3+} concentration. • X-ray diffraction study confirms the presence of corundum phases in ruby samples. • Treated ruby looks brighter than untreated ruby due to variation in Cr{sup 3+} concentration. - Abstract: Improvement in aesthetic look of low grade natural ruby (gemstone) surface was clearly evident after fusion mixture treatment. Surface impurities of the gemstone were significantly reduced to give it a face lift. The processing consists of heat treatment (1000 °C) of the raw gemstone with fusion mixture (sodium and potassium carbonates), followed by hydrochloric acid digestion (90 °C) and ultrasonic cleaning.Both the untreated and the treated gemstone were characterized by X-ray diffraction, UV–vis spectroscopy (diffuse reflectance),photoluminescence and X-ray photoelectron spectroscopy. The paper consolidates the results of these studies and presents the effect of the typical chemical treatment (stated above) on the low grade natural ruby. While X-ray diffraction study identifies the occurrence of alumina phase in both the treated and the untreated gemstones, the UV–vis spectra exhibit strong characteristic absorption of Cr{sup 3+}at 400 and 550 nm wavelength for the treated gemstone in contrast to weak absorption observed for the untreated gemstone at such wavelengths, thus showing the beneficial effect of fusion mixture treatment. Peaks observed for the gemstone (for both treated and untreated samples) in the excitation spectra of photoluminescence show a good correlation with observed UV–vis (diffuse reflectance

Preparation of PES ultrafiltration membranes with natural amino acids based zwitterionic antifouling surfaces

International Nuclear Information System (INIS)

Xu, Chen; Liu, Xiaojiu; Xie, Binbin; Yao, Chen; Hu, Wenhan; Li, Yi; Li, Xinsong

2016-01-01

Highlights: • Amino acids have been successfully grafted onto the surface of PES membranes via amino groups induced epoxy ring opening. • Zwitterionic PES ultrafiltration membranes exhibit excellent antifouling performance and improved permeation properties. • A facile strategy to combat fouling of PES ultrafiltration membranes is developed by grafting natural amino acids. - Abstract: In this report, a simple and facile approach to enhance the antifouling property of poly(ether sulfone) (PES) ultrafiltration membrane was developed by grafting natural amino acids onto surface. First of all, poly(ether sulfone) composite membranes blended with poly(glycidyl methacrylate) were fabricated by phase inversion method followed by grafting of different types of natural amino acids onto the membrane surface through epoxy ring opening reaction. The analysis of attenuated total reflectance Fourier transform infrared spectroscopy (ATR/FTIR) and X-ray photoelectron spectroscopy (XPS) verified the substantial enrichment of amino acids onto the surface of PES membranes. The hydrophilicity of the PES membranes was improved after grafting amino acids. The mechanical property and morphologies of the PES membranes proved that their basic performances were not obviously affected by grafting reaction, and these parameters were all still in the typical range for ultrafiltration membranes. The antifouling property of the grafted PES membranes against bovine serum albumin (BSA) and lysozyme (Lyz) was investigated in detail. It was found that PES membranes incorporated with neutral amino acids exhibited higher fouling resistance to both BSA and Lyz than the parent PES membrane. It can be ascribed to the formation of zwitterionic structure on the surface consisting of protonated secondary amino cations and carboxyl anions. Meanwhile, PES membranes grafted with charged amino acids had better antifouling properties against protein with same electric charges and improved adsorption

Preparation of PES ultrafiltration membranes with natural amino acids based zwitterionic antifouling surfaces

Energy Technology Data Exchange (ETDEWEB)

Xu, Chen; Liu, Xiaojiu; Xie, Binbin; Yao, Chen [School of Chemistry and Chemical Engineering, Southeast University, Nanjing, 211189 (China); Hu, Wenhan; Li, Yi [Suzhou Faith & Hope Membrane Technology Co., Ltd., Suzhou, 215000 (China); Li, Xinsong, E-mail: lixs@seu.edu.cn [School of Chemistry and Chemical Engineering, Southeast University, Nanjing, 211189 (China)

2016-11-01

Highlights: • Amino acids have been successfully grafted onto the surface of PES membranes via amino groups induced epoxy ring opening. • Zwitterionic PES ultrafiltration membranes exhibit excellent antifouling performance and improved permeation properties. • A facile strategy to combat fouling of PES ultrafiltration membranes is developed by grafting natural amino acids. - Abstract: In this report, a simple and facile approach to enhance the antifouling property of poly(ether sulfone) (PES) ultrafiltration membrane was developed by grafting natural amino acids onto surface. First of all, poly(ether sulfone) composite membranes blended with poly(glycidyl methacrylate) were fabricated by phase inversion method followed by grafting of different types of natural amino acids onto the membrane surface through epoxy ring opening reaction. The analysis of attenuated total reflectance Fourier transform infrared spectroscopy (ATR/FTIR) and X-ray photoelectron spectroscopy (XPS) verified the substantial enrichment of amino acids onto the surface of PES membranes. The hydrophilicity of the PES membranes was improved after grafting amino acids. The mechanical property and morphologies of the PES membranes proved that their basic performances were not obviously affected by grafting reaction, and these parameters were all still in the typical range for ultrafiltration membranes. The antifouling property of the grafted PES membranes against bovine serum albumin (BSA) and lysozyme (Lyz) was investigated in detail. It was found that PES membranes incorporated with neutral amino acids exhibited higher fouling resistance to both BSA and Lyz than the parent PES membrane. It can be ascribed to the formation of zwitterionic structure on the surface consisting of protonated secondary amino cations and carboxyl anions. Meanwhile, PES membranes grafted with charged amino acids had better antifouling properties against protein with same electric charges and improved adsorption

Meromorphic functions and cohomology on a Riemann surface

International Nuclear Information System (INIS)

Gomez-Mont, X.

1989-01-01

The objective of this set of notes is to introduce a series of concepts of Complex Analytic Geometry on a Riemann Surface. We motivate the introduction of cohomology groups through the analysis of meromorphic functions. We finish by showing that the set of infinitesimal deformations of a Riemann surface (the tangent space to Teichmueller space) may be computed as a Cohomology group. (author). 6 refs

Amyloid Fibrils as Building Blocks for Natural and Artificial Functional Materials.

Science.gov (United States)

Knowles, Tuomas P J; Mezzenga, Raffaele

2016-08-01

Proteinaceous materials based on the amyloid core structure have recently been discovered at the origin of biological functionality in a remarkably diverse set of roles, and attention is increasingly turning towards such structures as the basis of artificial self-assembling materials. These roles contrast markedly with the original picture of amyloid fibrils as inherently pathological structures. Here we outline the salient features of this class of functional materials, both in the context of the functional roles that have been revealed for amyloid fibrils in nature, as well as in relation to their potential as artificial materials. We discuss how amyloid materials exemplify the emergence of function from protein self-assembly at multiple length scales. We focus on the connections between mesoscale structure and material function, and demonstrate how the natural examples of functional amyloids illuminate the potential applications for future artificial protein based materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Earthquake rupture process recreated from a natural fault surface

Science.gov (United States)

Parsons, Thomas E.; Minasian, Diane L.

2015-01-01

What exactly happens on the rupture surface as an earthquake nucleates, spreads, and stops? We cannot observe this directly, and models depend on assumptions about physical conditions and geometry at depth. We thus measure a natural fault surface and use its 3D coordinates to construct a replica at 0.1 m resolution to obviate geometry uncertainty. We can recreate stick-slip behavior on the resulting finite element model that depends solely on observed fault geometry. We clamp the fault together and apply steady state tectonic stress until seismic slip initiates and terminates. Our recreated M~1 earthquake initiates at contact points where there are steep surface gradients because infinitesimal lateral displacements reduce clamping stress most efficiently there. Unclamping enables accelerating slip to spread across the surface, but the fault soon jams up because its uneven, anisotropic shape begins to juxtapose new high-relief sticking points. These contacts would ultimately need to be sheared off or strongly deformed before another similar earthquake could occur. Our model shows that an important role is played by fault-wall geometry, though we do not include effects of varying fluid pressure or exotic rheologies on the fault surfaces. We extrapolate our results to large fault systems using observed self-similarity properties, and suggest that larger ruptures might begin and end in a similar way, though the scale of geometrical variation in fault shape that can arrest a rupture necessarily scales with magnitude. In other words, fault segmentation may be a magnitude dependent phenomenon and could vary with each subsequent rupture.

Advanced Surface and Microstructural Characterization of Natural Graphite Anodes for Lithium Ion Batteries

Energy Technology Data Exchange (ETDEWEB)

Gallego, Nidia C [ORNL; Contescu, Cristian I [ORNL; Meyer III, Harry M [ORNL; Howe, Jane Y [ORNL; Meisner, Roberta Ann [ORNL; Payzant, E Andrew [ORNL; Lance, Michael J [ORNL; Yoon, Steve [A123 Systems, Inc.; Denlinger, Matthew [A123 Systems, Inc.; Wood III, David L [ORNL

2014-01-01

Natural graphite powders were subjected to a series of thermal treatments in order to improve the anode irreversible capacity loss (ICL) and capacity retention during long-term cycling of lithium ion batteries. A baseline thermal treatment in inert Ar or N2 atmosphere was compared to cases with a proprietary additive to the furnace gas environment. This additive substantially altered the surface chemistry of the natural graphite powders and resulted in significantly improved long-term cycling performance of the lithium ion batteries over the commercial natural graphite baseline. Different heat-treatment temperatures were investigated ranging from 950-2900 C with the intent of achieving the desired long-term cycling performance with as low of a maximum temperature and thermal budget as possible. A detailed summary of the characterization data is also presented, which includes X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and temperature-programed desorption mass spectroscopy (TPD-MS). This characterization data was correlated to the observed capacity fade improvements over the course of long-term cycling at high charge-discharge rates in full lithium-ion coin cells. It is believed that the long-term performance improvements are a result of forming a more stable solid electrolyte interface (SEI) layer on the anode graphite surfaces, which is directly related to the surface chemistry modifications imparted by the proprietary gas environment during thermal treatment.

Neurodegenerative disease mutations in TREM2 reveal a functional surface and distinct loss-of-function mechanisms

Energy Technology Data Exchange (ETDEWEB)

Kober, Daniel L.; Alexander-Brett, Jennifer M.; Karch, Celeste M.; Cruchaga, Carlos; Colonna, Marco; Holtzman, Michael J.; Brett, Thomas J. (WU-MED)

2016-12-20

Genetic variations in the myeloid immune receptor TREM2 are linked to several neurodegenerative diseases. To determine how TREM2 variants contribute to these diseases, we performed structural and functional studies of wild-type and variant proteins. Our 3.1 Å TREM2 crystal structure revealed that mutations found in Nasu-Hakola disease are buried whereas Alzheimer’s disease risk variants are found on the surface, suggesting that these mutations have distinct effects on TREM2 function. Biophysical and cellular methods indicate that Nasu-Hakola mutations impact protein stability and decrease folded TREM2 surface expression, whereas Alzheimer’s risk variants impact binding to a TREM2 ligand. Additionally, the Alzheimer’s risk variants appear to epitope map a functional surface on TREM2 that is unique within the larger TREM family. These findings provide a guide to structural and functional differences among genetic variants of TREM2, indicating that therapies targeting the TREM2 pathway should be tailored to these genetic and functional differences with patient-specific medicine approaches for neurodegenerative disorders.

Removal of selenium species from waters using various surface-modified natural particles and waste materials

Energy Technology Data Exchange (ETDEWEB)

Yigit, Nevzat O.; Tozum, Seda [Department of Environmental Engineering, Suleyman Demirel University, Isparta (Turkey)

2012-07-15

Waste red mud and natural pumice/volcanic slag particles were surface modified and their selenium adsorption from waters was investigated. Acid activation/heat treatment of original red mud (ORM) particles significantly increased their micropore and external surface area and cumulative volume of pores. Iron oxide coating of pumice/slags and acid activation of ORM decreased their pH{sub pzc} values and increased surface acidity. Selenite/selenate adsorption on iron oxide surfaces and acid activated red mud (AARM) was very fast with approximately first-order adsorption kinetics. Iron oxide coating of pumice/slag and acid activation of ORM particles significantly enhanced their selenite and selenate uptakes. Maximum Se adsorption capacities as high as 6.3 (mg Se/g adsorbent) were obtained by AARM. The extent of selenate uptakes by the surface modified particles was generally lower than those of selenite. Due to competition among Se species and other background water matrix for iron oxide adsorption sites, reduced selenite/selenate uptakes were found in natural water compared to single solute tests. Higher Se uptakes by iron oxide surfaces were found at pH 7.5 compared to pH 8.9, due to increased electrostatic repulsion among iron oxides and Se species at higher pH. The most effective adsorbents among the tested 17 different particles for Se uptake were AARM and iron oxide coated pumice. Se concentrations less than drinking water standards (5-10 {mu}g/L) can be achieved by these particles. These low-cost, natural, or recyclable waste particles appear to be promising adsorbents for Se removal after their surface modification. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

International Nuclear Information System (INIS)

Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

2014-01-01

The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

Smart biomaterials: Surfaces functionalized with proteolytically stable osteoblast-adhesive peptides

Directory of Open Access Journals (Sweden)

Annj Zamuner

2017-09-01

Full Text Available Engineered scaffolds for bone tissue regeneration are designed to promote cell adhesion, growth, proliferation and differentiation. Recently, covalent and selective functionalization of glass and titanium surfaces with an adhesive peptide (HVP mapped on [351–359] sequence of human Vitronectin allowed to selectively increase osteoblast attachment and adhesion strength in in vitro assays, and to promote osseointegration in in vivo studies. For the first time to our knowledge, in this study we investigated the resistance of adhesion sequences to proteolytic digestion: HVP was completely cleaved after 5 h. In order to overcome the enzymatic degradation of the native peptide under physiological conditions we synthetized three analogues of HVP sequence. A retro-inverted peptide D-2HVP, composed of D amino acids, was completely stable in serum-containing medium. In addition, glass surfaces functionalized with D-2HVP increased human osteoblast adhesion as compared to the native peptide and maintained deposition of calcium. Interestingly, D-2HVP increased expression of IBSP, VTN and SPP1 genes as compared to HVP functionalized surfaces. Total internal reflection fluorescence microscope analysis showed cells with numerous filopodia spread on D-2HVP-functionalized surfaces. Therefore, the D-2HVP sequence is proposed as new osteoblast adhesive peptide with increased bioactivity and high proteolytic resistance.

Smart biomaterials: Surfaces functionalized with proteolytically stable osteoblast-adhesive peptides.

Science.gov (United States)

Zamuner, Annj; Brun, Paola; Scorzeto, Michele; Sica, Giuseppe; Castagliuolo, Ignazio; Dettin, Monica

2017-09-01

Engineered scaffolds for bone tissue regeneration are designed to promote cell adhesion, growth, proliferation and differentiation. Recently, covalent and selective functionalization of glass and titanium surfaces with an adhesive peptide (HVP) mapped on [351-359] sequence of human Vitronectin allowed to selectively increase osteoblast attachment and adhesion strength in in vitro assays, and to promote osseointegration in in vivo studies. For the first time to our knowledge, in this study we investigated the resistance of adhesion sequences to proteolytic digestion: HVP was completely cleaved after 5 h. In order to overcome the enzymatic degradation of the native peptide under physiological conditions we synthetized three analogues of HVP sequence. A retro-inverted peptide D-2HVP, composed of D amino acids, was completely stable in serum-containing medium. In addition, glass surfaces functionalized with D-2HVP increased human osteoblast adhesion as compared to the native peptide and maintained deposition of calcium. Interestingly, D-2HVP increased expression of IBSP, VTN and SPP1 genes as compared to HVP functionalized surfaces. Total internal reflection fluorescence microscope analysis showed cells with numerous filopodia spread on D-2HVP-functionalized surfaces. Therefore, the D-2HVP sequence is proposed as new osteoblast adhesive peptide with increased bioactivity and high proteolytic resistance.

Natural variability in the surface ocean carbonate ion concentration

Science.gov (United States)

Lovenduski, N. S.; Long, M. C.; Lindsay, K.

2015-11-01

We investigate variability in the surface ocean carbonate ion concentration ([CO32-]) on the basis of a~long control simulation with an Earth System Model. The simulation is run with a prescribed, pre-industrial atmospheric CO2 concentration for 1000 years, permitting investigation of natural [CO32-] variability on interannual to multi-decadal timescales. We find high interannual variability in surface [CO32-] in the tropical Pacific and at the boundaries between the subtropical and subpolar gyres in the Northern Hemisphere, and relatively low interannual variability in the centers of the subtropical gyres and in the Southern Ocean. Statistical analysis of modeled [CO32-] variance and autocorrelation suggests that significant anthropogenic trends in the saturation state of aragonite (Ωaragonite) are already or nearly detectable at the sustained, open-ocean time series sites, whereas several decades of observations are required to detect anthropogenic trends in Ωaragonite in the tropical Pacific, North Pacific, and North Atlantic. The detection timescale for anthropogenic trends in pH is shorter than that for Ωaragonite, due to smaller noise-to-signal ratios and lower autocorrelation in pH. In the tropical Pacific, the leading mode of surface [CO32-] variability is primarily driven by variations in the vertical advection of dissolved inorganic carbon (DIC) in association with El Niño-Southern Oscillation. In the North Pacific, surface [CO32-] variability is caused by circulation-driven variations in surface DIC and strongly correlated with the Pacific Decadal Oscillation, with peak spectral power at 20-30-year periods. North Atlantic [CO32-] variability is also driven by variations in surface DIC, and exhibits weak correlations with both the North Atlantic Oscillation and the Atlantic Multidecadal Oscillation. As the scientific community seeks to detect the anthropogenic influence on ocean carbonate chemistry, these results will aid the interpretation of trends

Template-controlled mineralization: Determining film granularity and structure by surface functionality patterns

Directory of Open Access Journals (Sweden)

Nina J. Blumenstein

2015-08-01

Full Text Available We present a promising first example towards controlling the properties of a self-assembling mineral film by means of the functionality and polarity of a substrate template. In the presented case, a zinc oxide film is deposited by chemical bath deposition on a nearly topography-free template structure composed of a pattern of two self-assembled monolayers with different chemical functionality. We demonstrate the template-modulated morphological properties of the growing film, as the surface functionality dictates the granularity of the growing film. This, in turn, is a key property influencing other film properties such as conductivity, piezoelectric activity and the mechanical properties. A very pronounced contrast is observed between areas with an underlying fluorinated, low energy template surface, showing a much more (almost two orders of magnitude coarse-grained film with a typical agglomerate size of around 75 nm. In contrast, amino-functionalized surface areas induce the growth of a very smooth, fine-grained surface with a roughness of around 1 nm. The observed influence of the template on the resulting clear contrast in morphology of the growing film could be explained by a contrast in surface adhesion energies and surface diffusion rates of the nanoparticles, which nucleate in solution and subsequently deposit on the functionalized substrate.

Straightforward and robust synthesis of monodisperse surface-functionalized gold nanoclusters

Directory of Open Access Journals (Sweden)

Silvia Varela-Aramburu

2016-09-01

Full Text Available Gold nanoclusters are small (1–3 nm nanoparticles with a high surface area that are useful for biomedical studies and drug delivery. The synthesis of small, surface-functionalized gold nanoclusters is greatly dependent on the reaction conditions. Here, we describe a straightforward, efficient and robust room temperature one-pot synthesis of 2 nm gold nanoclusters using thioglucose as a reducing and stabilizing agent, which was discovered by serendipity. The resultant monodisperse gold nanoclusters are more stable than those generated using some other common methods. The carboxylic acid contained in the stabilizing agent on the cluster surface serves as anchor for nanocluster functionalization. Alternatively, the addition of thiols serves to functionalize the nanoclusters. The resulting non-cytotoxic nanoclusters are taken up by cells and constitute a tuneable platform for biomedical applications including drug delivery.

Functional anatomy and immunological interactions of ocular surface and adnexa.

Science.gov (United States)

Paulsen, Friedrich

2008-01-01

This chapter gives an overview about the structures and physiology of the ocular surface and its adnexa and focuses in a second part on the possible meaning of eye-associated lymphoid tissue (EALT) in a context with the development of dry eye. Sections deal with (1) anatomy of the ocular surface, lacrimal gland, eyelid and nasolacrimal ducts. (2) The meaning and importance of the lacrimal functional unit and the function of the mucosal innate immune system are briefly summarized. (3) Finally, the occurrence and the possible function of EALT is discussed with regard to tolerance induction and dry eye. The epithelial surface of the eye and its specialized glandular infoldings produce the components of the tear film, which include water, protective antimicrobials, cytokines, lipids as well as mucins and trefoil factor family (TFF) peptides. Antimicrobials, mucins and TFF peptides perform a number of essential functions which, collectively, provide protection of the ocular surface. Their production changes in cases of dry eye. The development of EALT is a common feature frequently occurring in symptomatically normal conjunctiva and nasolacrimal ducts. The production of antimicrobials, mucins and TFF peptides can be linked with cell signaling, tear film rheology, and antimicrobial defense at the ocular surface. Changes in the production of such peptides and proteins in cases of dry eye support the assumption that these peptides and proteins are involved in the pathophysiological events that occur at the ocular surface and lacrimal apparatus. Whether special types of bacteria, viruses, or other factors, e.g., immune deviation, are responsible for the development of EALT in humans requires further investigation in prospective and experimental studies.

FY 1995 development of fluorinated hydriding alloys with multi functional and functionally-graded surface and their application to energy conversion devices; 1995 nendo keishagata fukugo kino wo hyomen ni motsu suiso kyuzo gokin no kaihatsu to energy henkan gijutsu eno oyo

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

The project is the extended researches of a fluorination technique invented by the project leader (Suda) for improving the surface properties and characteristics of conventional hydriding alloys from the following viewpoints; (1) To investigate the roles of fluorinated surface during hydrogen uptake both in the gas-solid and the electrochemical reactions. (2) To elucidate the factors which increase the protective nature of the surface. (3) To develop a material design procedure for synthesizing thin layer of functionally graded surface which is composed of metallic Ni and the fluoride compound. (1) An advanced fluorination technique was developed to incorporate metallic Ni in the surface fluoride layer. (2) Metallic Ni was successfully distributed in a functionally graded manner in the Surface fluoride layer. (3) Through the technique developed, the following properties and characteristics were successfully donated in the fluorinated hydriding alloys such as AB{sub 5}, AB{sub 2}, and AB; (3-1)Surface oxides which act as the resistant layer to the hydrogen up take was completely eliminated to result in the enhancement of the initial activation characteristics. (3-2) Hydrogen selectivity and permeability was greatly improved. (3-3) Surface protective nature against the impurity gases and contaminants was significantly improved. (3-4) Initial activation characteristics both in the gas-solid and the electrochemical reactions were distinguishably improved. (3-5) Fluorinated surface was found to function as the catalyst for a methanation reaction between the CO{sub 2} gas adsorbed over the fluorinated surface and the monatomic hydrogen absorbed in the metal lattice of the crystalline structure of the hydriding alloys. (4) A technique was developed for increasing the specific surface area and decreasing the specific surface diameter of the fluorinated hydriding alloy articles. (NEDO)

Utilization of Natural Products as Functional Feed

OpenAIRE

Stella Magdalena; Natadiputri G H; Nailufar; Purwadaria T

2013-01-01

The use of antibiotics as feed additive improves performance in livestock. However, scientific data related to the use of antibiotics in feed merge spreading of bacterial resistance in animal and human bodies, therefore the usage of antibiotics in animal production is restricted. This condition raise the utilization of natural antibiotic as functional feed such as phytogenics (essential oil, flavonoid, saponin, and tannin), enzyme, probiotic, and prebiotic to improve the livestock’s performan...

The Natural Charge On The Surface Of The Earth | Mamah | Global ...

African Journals Online (AJOL)

The natural electric charge or its artificial analogue as the fundamental unit of exploration has been fundamentally derived and compared for both the equatorial region and the polar region. The ratio of the unit charge on the surface of the earth at the equatorial region (ω ± ω0) = 0.59 rad where ω0 = 1.65; to that at the polar ...

Tear function and ocular surface after Muller muscle-conjunctival resection.

Science.gov (United States)

Uğurbaş, Suat Hayri; Alpay, Atilla; Bahadır, Burak; Uğurbaş, Sılay Cantürk

2014-05-01

Muller muscle-conjunctival resection (MCR) is a surgical technique to correct mild and moderate ptosis. In this study, tear function tests and ocular surface are evaluated in patients who underwent unilateral surgery. Sixteen patients with normal preoperative tear function who underwent unilateral MCR were evaluated prospectively. The fellow eyes of the patients were taken as the control group. A dry eye assessment questionnaire, Schirmer testing, tear film break-up time, fluorescein stain, Rose-Bengal stain, and conjunctival impression cytology were used to assess the tear film functions and ocular surface changes in the operated and non-operated eyes. There was no statistically significant difference in the tear function tests and goblet cell densities between the operated and non-operated eyes. The results indicate that an MCR procedure has no apparent effect on tear function tests and goblet cell density in patients with normal preoperative tear function.

Effect of nanometer scale surface roughness of titanium for osteoblast function

Directory of Open Access Journals (Sweden)

Satoshi Migita

2017-02-01

Full Text Available Surface roughness is an important property for metallic materials used in medical implants or other devices. The present study investigated the effects of surface roughness on cellular function, namely cell attachment, proliferation, and differentiation potential. Titanium (Ti discs, with a hundred nanometer- or nanometer-scale surface roughness (rough and smooth Ti surface, respectively were prepared by polishing with silicon carbide paper. MC3T3-E1 mouse osteoblast-like cells were cultured on the discs, and their attachment, spreading area, proliferation, and calcification were analyzed. Cells cultured on rough Ti discs showed reduced attachment, proliferation, and calcification ability suggesting that the surface inhibited osteoblast function. The findings can provide a basis for improving the biocompatibility of medical devices.

General Fit-Basis Functions and Specialized Coordinates in an Adaptive Density-Guided Approach to Potential Energy Surfaces

DEFF Research Database (Denmark)

Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide

. This results in a decreased number of single point calculations required during the potential construction. Especially the Morse-like fit-basis functions are of interest, when combined with rectilinear hybrid optimized and localized coordinates (HOLCs), which can be generated as orthogonal transformations......The overall shape of a molecular energy surface can be very different for different molecules and different vibrational coordinates. This means that the fit-basis functions used to generate an analytic representation of a potential will be met with different requirements. It is therefore worthwhile...... single point calculations when constructing the molecular potential. We therefore present a uniform framework that can handle general fit-basis functions of any type which are specified on input. This framework is implemented to suit the black-box nature of the ADGA in order to avoid arbitrary choices...

Monolayer assembly and striped architecture of Co nanoparticles on organic functionalized Si surfaces

Energy Technology Data Exchange (ETDEWEB)

Bae, S.-S.; Lim, D.K.; Park, J.-I.; Kim, S. [Korea Advanced Institute of Science and Technology, Department of Chemistry and School of Molecular Science (BK 21), Daejeon (Korea); Cheon, J. [Yonsei University, Department of Chemistry, College of Sciences, Seoul (Korea); Jeon, I.C. [Chonbuk National University, Department of Chemistry, College of Natural Sciences, Chonbuk (Korea)

2005-03-01

We present a new strategy to fabricate a monolayer assembly of Br-terminated Co nanoparticles on functionalized Si surfaces by using chemical covalent bonding and microcontact printing method. Self-assembled monolayers (SAMs) of the Co nanoparticles formed on the hydroxyl-terminated Si surface exhibit two-dimensional island networks with locally ordered arrays via covalent linkage between nanoparticles and surface. On the other hand, SAMs of the nanoparticles on the aminopropyl-terminated Si surface show an individual and random distribution over an entire surface. Furthermore, we have fabricated striped architectures of Co nanoparticles using a combination of microcontact printing and covalent linkage. Microcontact printing of octadecyltrichlorosilane and selective covalent linkage between nanoparticles and functionalized Si surfaces lead to a hybrid nanostructure with selectively assembled nanoparticles stripes on the patterned functionalized Si surfaces. (orig.)

Natural Sunlight Shapes Crude Oil-Degrading Bacterial Communities in Northern Gulf of Mexico Surface Waters

OpenAIRE

Bacosa, Hernando P.; Liu, Zhanfei; Erdner, Deana L.

2015-01-01

Following the Deepwater Horizon (DWH) spill in 2010, an enormous amount of oil was observed in the deep and surface waters of the northern Gulf of Mexico. Surface waters are characterized by intense sunlight and high temperature during summer. While the oil-degrading bacterial communities in the deep-sea plume have been widely investigated, the effect of natural sunlight on those in oil polluted surface waters remains unexplored to date. In this study, we incubated surface water from the DWH ...

Differential surface phenotype and context-dependent reactivity of functionally diverse NKT cells.

Science.gov (United States)

Cameron, Garth; Godfrey, Dale I

2018-03-05

Natural Killer T (NKT) cells are a functionally diverse population that recognizes lipid-based antigens in association with the antigen-presenting molecule CD1d. Here, we define a technique to separate the functionally distinct thymic NKT1, NKT2 and NKT17 cell subsets by their surface expression of CD278 (ICOS) and the activation-associated glycoform of CD43, enabling the investigation of subset-specific effector-functions. We report that all three subsets express the transcription factor GATA-3 and the potential to produce IL-4 and IL-10 following activation. This questions the notion that NKT2 cells are the predominant source of IL-4 within the NKT cell pool, and suggests that IL-10-production may be more indicative of NKT cell plasticity than the existence of a distinct regulatory lineage or subset. We also show that many NKT17 cells are CD4 + and are biased toward Vβ8.3 TCR gene usage. Lastly, we demonstrate that the toll-like receptor (TLR) ligand lipopolysaccharide (LPS) can induce a NKT17 cell-biased response, even in the absence of exogenous antigen, and that combining LPS with α-GalCer resulted in enhanced IL-17A-production, and reduced levels of the immunosuppressive cytokine IL-10. This study provides a novel means to examine the context-dependent reactivity of the functionally heterogeneous NKT cell population and provides important new insight into the functional biology of these subsets. © 2018 Australasian Society for Immunology Inc.

Cytochromes P450 for natural product biosynthesis in Streptomyces: sequence, structure, and function.

Science.gov (United States)

Rudolf, Jeffrey D; Chang, Chin-Yuan; Ma, Ming; Shen, Ben

2017-08-30

Covering: up to January 2017Cytochrome P450 enzymes (P450s) are some of the most exquisite and versatile biocatalysts found in nature. In addition to their well-known roles in steroid biosynthesis and drug metabolism in humans, P450s are key players in natural product biosynthetic pathways. Natural products, the most chemically and structurally diverse small molecules known, require an extensive collection of P450s to accept and functionalize their unique scaffolds. In this review, we survey the current catalytic landscape of P450s within the Streptomyces genus, one of the most prolific producers of natural products, and comprehensively summarize the functionally characterized P450s from Streptomyces. A sequence similarity network of >8500 P450s revealed insights into the sequence-function relationships of these oxygen-dependent metalloenzymes. Although only ∼2.4% and structurally characterized, respectively, the study of streptomycete P450s involved in the biosynthesis of natural products has revealed their diverse roles in nature, expanded their catalytic repertoire, created structural and mechanistic paradigms, and exposed their potential for biomedical and biotechnological applications. Continued study of these remarkable enzymes will undoubtedly expose their true complement of chemical and biological capabilities.

Surface functionalized biocompatible magnetic nanospheres for cancer hyperthermia.

Energy Technology Data Exchange (ETDEWEB)

Liu, X.; Novosad, V.; Rozhkova, E. A.; Chen, H.; Yefremenko, V.; Pearson, J.; Torno, M.; Bader, S. D.; Rosengart, A. J.; Univ. Chicago Pritzker School of Medicine

2007-06-01

We report a simplified single emulsion (oil-in-water) solvent evaporation protocol to synthesize surface functionalized biocompatible magnetic nanospheres by using highly concentrated hydrophobic magnetite (gel) and a mixture of poly(D,L lactide-co-glycolide) (PLGA) and poly(lactic acid-block-polyethylene glycol-maleimide) (PLA-PEG-maleimide) (10:1 by mass) polymers. The as-synthesized particles are approximately spherical with an average diameter of 360-370 nm with polydispersity index of 0.12-0.18, are surface-functionalized with maleimide groups, and have saturation magnetization values of 25-40 emu/g. The efficiency of the heating induced by 400-kHz oscillating magnetic fields is compared for two samples with different magnetite loadings. Results show that these nanospheres have the potential to provide an efficient cancer-targeted hyperthermia.

Probability function of breaking-limited surface elevation. [wind generated waves of ocean

Science.gov (United States)

Tung, C. C.; Huang, N. E.; Yuan, Y.; Long, S. R.

1989-01-01

The effect of wave breaking on the probability function of surface elevation is examined. The surface elevation limited by wave breaking zeta sub b(t) is first related to the original wave elevation zeta(t) and its second derivative. An approximate, second-order, nonlinear, non-Gaussian model for zeta(t) of arbitrary but moderate bandwidth is presented, and an expression for the probability density function zeta sub b(t) is derived. The results show clearly that the effect of wave breaking on the probability density function of surface elevation is to introduce a secondary hump on the positive side of the probability density function, a phenomenon also observed in wind wave tank experiments.

Data Mining of Satellite-Based Measurements to Distinguish Natural From Man-Made Oil Slicks at the Sea Surface in Campeche Bay (Mexico)

Science.gov (United States)

Carvalho, G. D. A.; Minnett, P. J.; de Miranda, F. P.; Landau, L.; Paes, E.

2016-02-01

Campeche Bay, located in the Mexican portion of the Gulf of Mexico, has a well-established activity engaged with numerous oil rigs exploring and producing natural gas and oil. The associated risk of oil slicks in this region - that include oil spills (i.e. oil floating at the sea surface solely attributed to man-made activities) and oil seeps (i.e. surface footprint of the oil that naturally comes out of the seafloor reaching the surface of the ocean) - leads Pemex to be in a continuous state of alert for reducing possible negative influence on marine and coastal ecosystems. Focusing on a monitoring strategy, a multi-year dataset (2008-2012) of synthetic aperture radar (SAR) measurements from the RADARSAT-2 satellite is used to investigate the spatio-temporal distribution of the oil slicks observed at the surface of the ocean in the Campeche Bay region. The present study is an exploratory data analysis that seeks to discriminate between these two possible oil slick types: oil seeps and oil spills. Multivariate data analysis techniques (e.g. Principal Components Analysis, Clustering Analysis, Discriminant Function, etc.) are explored to design a data-learning classification algorithm to distinguish natural from man-made oil slicks. This analysis promotes a novel idea bridging geochemistry and remote sensing research to express geophysical differences between seeped and spilled oil. Here, SAR backscatter coefficients - i.e. sigma-naught (σo), beta-naught (βo), and gamma-naught (γo) - are combined with attributes referring to the geometry, shape, and dimension that describe the oil slicks. Results indicate that the synergy of combining these various characteristics is capable of distinguishing oil seeps from oil spills observed on the sea surface to a useful accuracy.

The sewing technique and correlation functions on arbitrary Riemann surfaces

International Nuclear Information System (INIS)

Di Vecchia, P.

1989-01-01

We describe in the case of free bosonic and fermionic theories the sewing procedure, that is a very convenient way for constructing correlation functions of these theories on an arbitrary Riemann surface from their knowledge on the sphere. The fundamental object that results from this construction is the N-point g-loop vertex. It summarizes the information of all correlation functions of the theory on an arbitrary Riemann surface. We then check explicitly the bosonization rules and derive some useful formulas. (orig.)

Optimization of surface condensate production from natural gases using artificial intelligence

Energy Technology Data Exchange (ETDEWEB)

Al-Farhan, Farhan A.; Ayala, Luis F. [Petroleum and Natural Gas Engineering Program, The Pennsylvania State University 122 Hosler Building, University Park, PA 16802-5001 (United States)

2006-08-15

The selection of operating pressures in surface separators can have a remarkable impact on the quantity and quality of the oil produced at the stock tank. In the case of a three-stage separation process, where the operating pressures of the first and third stage (stock tank) are usually set by process considerations, the middle-stage separator pressure becomes the natural variable that lends itself to optimization. Middle-stage pressure is said to be optimum when it maximizes liquid yield in the production facility (i.e., CGR value reaches a maximum) while enhancing the quality of the produced oil condensate (i.e., API is maximized). Accurate thermodynamic and phase equilibrium calculations, albeit elaborate and computer-intensive, represent the more rigorous and reliable way of approaching this optimization problem. Nevertheless, empirical and quasi-empirical approaches are typically the norm when it comes to the selection of the middle-stage surface separation pressure in field operations. In this study, we propose the implementation of Artificial Neural Network (ANN) technology for the establishment of an expert system capable of learning the complex relationship between the input parameters and the output response of the middle-stage optimization problems via neuro-simulation. During the neuro-simulation process, parametric studies are conducted to identify the most influential variables in the thermodynamic optimization protocol. This study presents a powerful optimization tool for the selection of the optimum middle-stage separation pressure, for a variety of natural gas fluid mixtures. The developed ANN is able to predict operating conditions for optimum surface condensate recovery from typical natural gases with condensate contents between 10

Surface effects on mean inner potentials studied using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)

2015-12-15

Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both “thin-film” and “nanowire” specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.

Overlapping constraint for variational surface reconstruction

DEFF Research Database (Denmark)

Aanæs, Henrik; Solem, J.E.

2005-01-01

In this paper a counter example, illustrating a shortcoming in most variational formulations for 3D surface estimation, is presented. The nature of this shortcoming is a lack of an overlapping constraint. A remedy for this shortcoming is presented in the form of a penalty function with an analysi...... of the effects of this function on surface motion. For practical purposes, this will only have minor influence on current methods. However, the insight provided in the analysis is likely to influence future developments in the field of variational surface reconstruction....

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

Science.gov (United States)

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

2001-11-01

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

Evolution of natural agents: preservation, advance, and emergence of functional information

OpenAIRE

Sharov, Alexei A.

2016-01-01

Biological evolution is often viewed narrowly as a change of morphology or allele frequency in a sequence of generations. Here I pursue an alternative informational concept of evolution, as preservation, advance, and emergence of functional information in natural agents. Functional information is a network of signs (e.g., memory, transient messengers, and external signs) that are used by agents to preserve and regulate their functions. Functional information is preserved in evolution via comp...

Bioactivity evolution of the surface functionalized bioactive glasses.

Science.gov (United States)

Magyari, Klára; Baia, Lucian; Vulpoi, Adriana; Simon, Simion; Popescu, Octavian; Simon, Viorica

2015-02-01

The formation of a calcium phosphate layer on the surface of the SiO2 -CaO-P2 O5 glasses after immersion in simulated body fluid (SBF) generally demonstrates the bioactivity of these materials. Grafting of the surface by chemical bonding can minimize the structural changes in protein adsorbed on the surface. Therefore, in this study our interest was to evaluate the bioactivity and blood biocompatibility of the SiO2 -CaO-P2 O5 glasses after their surface modification by functionalization with aminopropyl-triethoxysilane and/or by fibrinogen. It is shown that the fibrinogen adsorbed on the glass surfaces induces a growing of the apatite-like layer. It is also evidenced that the protein content from SBF influences the growth of the apatite-like layer. Furthermore, the good blood compatibility of the materials after fibrinogen and bovine serum albumin adsorption is proved from the assessment of the β-sheet-β-turn ratio. © 2014 Wiley Periodicals, Inc.

When natural selection gives gene function the cold shoulder.

Science.gov (United States)

Cutter, Asher D; Jovelin, Richard

2015-11-01

It is tempting to invoke organismal selection as perpetually optimizing the function of any given gene. However, natural selection can drive genic functional change without improvement of biochemical activity, even to the extinction of gene activity. Detrimental mutations can creep in owing to linkage with other selectively favored loci. Selection can promote functional degradation, irrespective of genetic drift, when adaptation occurs by loss of gene function. Even stabilizing selection on a trait can lead to divergence of the underlying molecular constituents. Selfish genetic elements can also proliferate independent of any functional benefits to the host genome. Here we review the logic and evidence for these diverse processes acting in genome evolution. This collection of distinct evolutionary phenomena - while operating through easily understandable mechanisms - all contribute to the seemingly counterintuitive notion that maintenance or improvement of a gene's biochemical function sometimes do not determine its evolutionary fate. © 2015 WILEY Periodicals, Inc.

Natural variability in the surface ocean carbonate ion concentration

Directory of Open Access Journals (Sweden)

N. S. Lovenduski

2015-11-01

Full Text Available We investigate variability in the surface ocean carbonate ion concentration ([CO32−] on the basis of a~long control simulation with an Earth System Model. The simulation is run with a prescribed, pre-industrial atmospheric CO2 concentration for 1000 years, permitting investigation of natural [CO32−] variability on interannual to multi-decadal timescales. We find high interannual variability in surface [CO32−] in the tropical Pacific and at the boundaries between the subtropical and subpolar gyres in the Northern Hemisphere, and relatively low interannual variability in the centers of the subtropical gyres and in the Southern Ocean. Statistical analysis of modeled [CO32−] variance and autocorrelation suggests that significant anthropogenic trends in the saturation state of aragonite (Ωaragonite are already or nearly detectable at the sustained, open-ocean time series sites, whereas several decades of observations are required to detect anthropogenic trends in Ωaragonite in the tropical Pacific, North Pacific, and North Atlantic. The detection timescale for anthropogenic trends in pH is shorter than that for Ωaragonite, due to smaller noise-to-signal ratios and lower autocorrelation in pH. In the tropical Pacific, the leading mode of surface [CO32−] variability is primarily driven by variations in the vertical advection of dissolved inorganic carbon (DIC in association with El Niño–Southern Oscillation. In the North Pacific, surface [CO32−] variability is caused by circulation-driven variations in surface DIC and strongly correlated with the Pacific Decadal Oscillation, with peak spectral power at 20–30-year periods. North Atlantic [CO32−] variability is also driven by variations in surface DIC, and exhibits weak correlations with both the North Atlantic Oscillation and the Atlantic Multidecadal Oscillation. As the scientific community seeks to detect the anthropogenic influence on ocean carbonate chemistry, these results

Interactions of Graphene Oxide Nanomaterials with Natural Organic Matter and Metal Oxide Surfaces

Science.gov (United States)

Interactions of graphene oxide (GO) with silica surfaces were investigated using a quartz crystal microbalance with dissipation monitoring (QCM-D). Both GO deposition and release were monitored on silica- and poly-l-lysine (PLL) coated surfaces as a function of GO concentration a...

Organosulfonic acid-functionalized mesoporous composites based on natural rubber and hexagonal mesoporous silica

Energy Technology Data Exchange (ETDEWEB)

Nuntang, Sakdinun; Poompradub, Sirilux [Fuels Research Center, Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Patumwan, Bangkok 10330 (Thailand); Butnark, Suchada [PTT Research and Technology Institute, PTT Public Company Limited, Wangnoi, Ayutthaya 13170 (Thailand); Yokoi, Toshiyuki; Tatsumi, Takashi [Chemical Resources Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226-8503 (Japan); Ngamcharussrivichai, Chawalit, E-mail: Chawalit.Ng@Chula.ac.th [Fuels Research Center, Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Patumwan, Bangkok 10330 (Thailand); Center of Excellence on Petrochemical and Materials Technology (PETROMAT), Chulalongkorn University, Patumwan, Bangkok 10330 (Thailand)

2014-10-15

This study is the first report on synthesis, characterization and catalytic application of propylsulfonic acid-functionalized mesoporous composites based on natural rubber (NR) and hexagonal mesoporous silica (HMS). In comparison with propylsulfonic acid-functionalized HMS (HMS-SO{sub 3}H), a series of NR/HMS-SO{sub 3}H composites were prepared via an in situ sol–gel process using tetrahydrofuran as the synthesis media. Tetraethylorthosilicate as the silica source, was simultaneously condensed with 3-mercaptopropyltrimethoxysilane in a solution of NR followed by oxidation with hydrogen peroxide to achieve the mesoporous composites containing propylsulfonic acid groups. Fourier-transform infrared spectroscopy and {sup 29}Si MAS nuclear magnetic resonance spectroscopy results verified that the silica surfaces of the NR/HMS-SO{sub 3}H composites were functionalized with propylsulfonic acid groups and covered with NR molecules. After the incorporation of NR and organo-functional group into HMS, the hexagonal mesostructure remained intact concomitantly with an increased framework wall thickness and unit cell size, as evidenced by the X-ray powder diffraction analysis. Scanning electron microscopy analysis indicated a high interparticle porosity of NR/HMS-SO{sub 3}H composites. The textural properties of NR/HMS-SO{sub 3}H were affected by the amount of MPTMS loading to a smaller extent than that of HMS-SO{sub 3}H. NR/HMS-SO{sub 3}H exhibited higher hydrophobicity than HMS-SO{sub 3}H, as revealed by H{sub 2}O adsorption–desorption measurements. Moreover, the NR/HMS-SO{sub 3}H catalysts possessed a superior specific activity to HMS-SO{sub 3}H in the esterification of lauric acid with ethanol, resulting in a higher conversion level. - Highlights: • Acidic NR/HMS-SO{sub 3}H composites were prepared by in situ sol–gel process. • Propylsulfonic acid was functionalized onto HMS surface by direct co-condensation. • NR/HMS-SO{sub 3}H exhibited a hexagonal

Viewing nature scenes positively affects recovery of autonomic function following acute-mental stress.

Science.gov (United States)

Brown, Daniel K; Barton, Jo L; Gladwell, Valerie F

2013-06-04

A randomized crossover study explored whether viewing different scenes prior to a stressor altered autonomic function during the recovery from the stressor. The two scenes were (a) nature (composed of trees, grass, fields) or (b) built (composed of man-made, urban scenes lacking natural characteristics) environments. Autonomic function was assessed using noninvasive techniques of heart rate variability; in particular, time domain analyses evaluated parasympathetic activity, using root-mean-square of successive differences (RMSSD). During stress, secondary cardiovascular markers (heart rate, systolic and diastolic blood pressure) showed significant increases from baseline which did not differ between the two viewing conditions. Parasympathetic activity, however, was significantly higher in recovery following the stressor in the viewing scenes of nature condition compared to viewing scenes depicting built environments (RMSSD; 50.0 ± 31.3 vs 34.8 ± 14.8 ms). Thus, viewing nature scenes prior to a stressor alters autonomic activity in the recovery period. The secondary aim was to examine autonomic function during viewing of the two scenes. Standard deviation of R-R intervals (SDRR), as change from baseline, during the first 5 min of viewing nature scenes was greater than during built scenes. Overall, this suggests that nature can elicit improvements in the recovery process following a stressor.

The effect of polyether functional polydimethylsiloxane on surface and thermal properties of waterborne polyurethane

Science.gov (United States)

Zheng, Guikai; Lu, Ming; Rui, Xiaoping

2017-03-01

Waterborne polyurethanes (WPU) modified with polyether functional polydimethylsiloxane (PDMS) were synthesized by pre-polymerization method using isophorone diisocyanate (IPDI) and 1,4-butanediol (BDO) as hard segments and polybutylene adipate glycol (PBA) and polyether functional PDMS as soft segments. The effect of polyether functional PDMS on phase separation, thermal properties, surface properties including surface composition, morphology and wettability were investigated by FTIR, contact angle measurements, ARXPS, SEM-EDS, AFM, TG and DSC. The results showed that the compatibility between urethane hard segment and PDMS modified with polyether was good, and there was no distinct phase separation in both bulk and surface of WPU films. The degradation temperature and low temperature flexibility increased with increasing amounts of polyether functional PDMS. The enrichment of polyether functional PDMS with low surface energy on the surface imparted excellent hydrophobicity to WPU films.

Scattering function for a model of interacting surfaces

International Nuclear Information System (INIS)

Colangelo, P.; Gonnella, G.; Maritan, A.

1993-01-01

The two-point correlation function of an ensemble of interacting closed self-avoiding surfaces on a cubic lattice is analyzed in the disordered phase, which corresponds to the paramagnetic region in a related spin formulation. Mean-field theory and Monte Carlo simulations predict the existence of a disorder line which corresponds to a transition from an exponential decay to an oscillatory damped behavior of the two-point correlation function. The relevance of the results for the description of amphiphilic systems in a microemulsion phase is discussed. The scattering function is also calculated for a bicontinuous phase coexisting with the paramagnetic phase

Gelatin Functionalization of Biomaterial Surfaces: Strategies for Immobilization and Visualization

Directory of Open Access Journals (Sweden)

Peter Dubruel

2011-01-01

Full Text Available In the present work, the immobilization of gelatin as biopolymer on two types of implantable biomaterials, polyimide and titanium, was compared. Both materials are known for their biocompatibility while lacking cell-interactive behavior. For both materials, a pre-functionalization step was required to enable gelatin immobilization. For the polyimide foils, a reactive succinimidyl ester was introduced first on the surface, followed by covalent grafting of gelatin. For the titanium material, methacrylate groups were first introduced on the Ti surface through a silanization reaction. The applied functionalities enabled the subsequent immobilization of methacrylamide modified gelatin. Both surface modified materials were characterized in depth using atomic force microscopy, static contact angle measurements, confocal fluorescence microscopy, attenuated total reflection infrared spectroscopy and X-ray photo-electron spectroscopy. The results indicated that the strategies elaborated for both material classes are suitable to apply stable gelatin coatings. Interestingly, depending on the material class studied, not all surface analysis techniques are applicable.

High-performance intrinsically microporous dihydroxyl-functionalized triptycene-based polyimide for natural gas separation

KAUST Repository

Alaslai, Nasser Y.; Ghanem, Bader; Alghunaimi, Fahd; Pinnau, Ingo

2016-01-01

A novel polyimide of intrinsic microporosity (PIM-PI) was synthesized from a 9,10-diisopropyl-triptycene-based dianhydride (TPDA) and dihydroxyl-functionalized 4,6-diaminoresorcinol (DAR). The unfunctionalized TPDA-m-phenylenediamine (mPDA) polyimide derivative was made as a reference material to evaluate the effect of the OH group in TPDA-DAR on its gas transport properties. Pure-gas permeability coefficients of He, H2, N2, O2, CH4, and CO2 were measured at 35 °C and 2 atm. The BET surface area based on nitrogen adsorption of dihydroxyl-functionalized TPDA-DAR (308 m2g-1) was 45% lower than that of TPDA-mPDA (565 m2g-1). TPDA-mPDA had a pure-gas CO2 permeability of 349 Barrer and CO2/CH4 selectivity of 32. The dihydroxyl-functionalized TPDA-DAR polyimide exhibited enhanced pure-gas CO2/CH4 selectivity of 46 with a moderate decrease in CO2 permeability to 215 Barrer. The CO2 permeability of TPDA-DAR was ∼30-fold higher than that of a commercial cellulose triacetate membrane coupled with 39% higher pure-gas CO2/CH4 selectivity. The TPDA-based dihydroxyl-containing polyimide showed good plasticization resistance and maintained high mixed-gas selectivity of 38 when tested at a typical CO2 natural gas wellhead CO2 partial pressure of 10 atm.

High-performance intrinsically microporous dihydroxyl-functionalized triptycene-based polyimide for natural gas separation

KAUST Repository

Alaslai, Nasser Y.

2016-03-22

A novel polyimide of intrinsic microporosity (PIM-PI) was synthesized from a 9,10-diisopropyl-triptycene-based dianhydride (TPDA) and dihydroxyl-functionalized 4,6-diaminoresorcinol (DAR). The unfunctionalized TPDA-m-phenylenediamine (mPDA) polyimide derivative was made as a reference material to evaluate the effect of the OH group in TPDA-DAR on its gas transport properties. Pure-gas permeability coefficients of He, H2, N2, O2, CH4, and CO2 were measured at 35 °C and 2 atm. The BET surface area based on nitrogen adsorption of dihydroxyl-functionalized TPDA-DAR (308 m2g-1) was 45% lower than that of TPDA-mPDA (565 m2g-1). TPDA-mPDA had a pure-gas CO2 permeability of 349 Barrer and CO2/CH4 selectivity of 32. The dihydroxyl-functionalized TPDA-DAR polyimide exhibited enhanced pure-gas CO2/CH4 selectivity of 46 with a moderate decrease in CO2 permeability to 215 Barrer. The CO2 permeability of TPDA-DAR was ∼30-fold higher than that of a commercial cellulose triacetate membrane coupled with 39% higher pure-gas CO2/CH4 selectivity. The TPDA-based dihydroxyl-containing polyimide showed good plasticization resistance and maintained high mixed-gas selectivity of 38 when tested at a typical CO2 natural gas wellhead CO2 partial pressure of 10 atm.

Functional Neuroanatomy Associated with Natural and Urban Scenic Views in the Human Brain: 3.0T Functional MR Imaging

Energy Technology Data Exchange (ETDEWEB)

Kim, Gwang Won; Jeong, Gwang Woo; Kim, Tae Hoon; Baek, Han Su; Oh, Seok Kyun; Kang, Heoung Keun; Lee, Sam Gyu; Kim, Yoon Soo; Song, Jin Kyu [Chonnam National University, Gwangju (Korea, Republic of)

2010-10-15

By using a functional magnetic resonance imaging (fMRI) technique we assessed brain activation patterns while subjects were viewing the living environments representing natural and urban scenery. A total of 28 healthy right-handed subjects underwent an fMRI on a 3.0 Tesla MRI scanner. The stimulation paradigm consisted of three times the rest condition and two times the activation condition, each of which lasted for 30 and 120 seconds, respectively. During the activation period, each subject viewed natural and urban scenery, respectively. The predominant brain activation areas observed following exposure to natural scenic views in contrast with urban views included the superior and middle frontal gyri, superior parietal gyrus, precuneus, basal ganglia, superior occipital gyrus, anterior cingulate gyrus, superior temporal gyrus, and insula. On the other hand, the predominant brain activation areas following exposure to urban scenic views in contrast with natural scenes included the middle and inferior occipital gyri, parahippocampal gyrus, hippocampus, amygdala, anterior temporal pole, and inferior frontal gyrus. Our findings support the idea that the differential functional neuroanatomies for each scenic view are presumably related with subjects emotional responses to the natural and urban environment, and thus the differential functional neuroanatomy can be utilized as a neural index for the evaluation of friendliness in ecological housing

Functional Neuroanatomy Associated with Natural and Urban Scenic Views in the Human Brain: 3.0T Functional MR Imaging

International Nuclear Information System (INIS)

Kim, Gwang Won; Jeong, Gwang Woo; Kim, Tae Hoon; Baek, Han Su; Oh, Seok Kyun; Kang, Heoung Keun; Lee, Sam Gyu; Kim, Yoon Soo; Song, Jin Kyu

2010-01-01

By using a functional magnetic resonance imaging (fMRI) technique we assessed brain activation patterns while subjects were viewing the living environments representing natural and urban scenery. A total of 28 healthy right-handed subjects underwent an fMRI on a 3.0 Tesla MRI scanner. The stimulation paradigm consisted of three times the rest condition and two times the activation condition, each of which lasted for 30 and 120 seconds, respectively. During the activation period, each subject viewed natural and urban scenery, respectively. The predominant brain activation areas observed following exposure to natural scenic views in contrast with urban views included the superior and middle frontal gyri, superior parietal gyrus, precuneus, basal ganglia, superior occipital gyrus, anterior cingulate gyrus, superior temporal gyrus, and insula. On the other hand, the predominant brain activation areas following exposure to urban scenic views in contrast with natural scenes included the middle and inferior occipital gyri, parahippocampal gyrus, hippocampus, amygdala, anterior temporal pole, and inferior frontal gyrus. Our findings support the idea that the differential functional neuroanatomies for each scenic view are presumably related with subjects emotional responses to the natural and urban environment, and thus the differential functional neuroanatomy can be utilized as a neural index for the evaluation of friendliness in ecological housing

An orbital-overlap model for minimal work functions of cesiated metal surfaces

International Nuclear Information System (INIS)

Chou, Sharon H; Bargatin, Igor; Howe, Roger T; Voss, Johannes; Vojvodic, Aleksandra; Abild-Pedersen, Frank

2012-01-01

We introduce a model for the effect of cesium adsorbates on the work function of transition metal surfaces. The model builds on the classical point-dipole equation by adding exponential terms that characterize the degree of orbital overlap between the 6s states of neighboring cesium adsorbates and its effect on the strength and orientation of electric dipoles along the adsorbate-substrate interface. The new model improves upon earlier models in terms of agreement with the work function-coverage curves obtained via first-principles calculations based on density functional theory. All the cesiated metal surfaces have optimal coverages between 0.6 and 0.8 monolayers, in accordance with experimental data. Of all the cesiated metal surfaces that we have considered, tungsten has the lowest minimum work function, also in accordance with experiments.

Surface modification and functionalization of carbon nanotube with some organic compounds

International Nuclear Information System (INIS)

Le, Van Thu; Ngo, Cao Long; Le, Quoc Trung; Ngo, Trinh Tung; Nguyen, Duc Nghia; Vu, Minh Thanh

2013-01-01

In this work the surface modification and functionalization of carbon nanotubes (CNTs) were investigated. CNTs were firstly treated by acid mixture H 2 SO 4 /HNO 3 to introduce the carboxylic group onto the surface of CNTs. This carboxylic group was used as reaction precursor in the functionalization. Two functional groups, dodecylamine (DDA) and 3-aminopropyl triethoxysilane (3-APTES), were successfully covalently attached to CNTs. The functionalized CNTs were characterized by Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, differential scanning calorimetry and thermal gravimetric analysis (DSC/TGA) and transmission electron microscopy (TEM) methods. The CNTs attached to the organofunctional moieties have greater versatility for further utilization in different application fields such as biology, nanocomposites, solar energy, etc. (paper)

Understanding of the correlation between work function and surface morphology of metals and alloys

International Nuclear Information System (INIS)

Xue, Mingshan; Wang, Wenfeng; Wang, Fajun; Ou, Junfei; Li, Changquan; Li, Wen

2013-01-01

Highlights: •The inherent correlation between the work function and surface morphology was focused on. •The change of the work function of metals and alloys as a function of surface roughness was investigated by scanning Kelvin probe. •The lightning rod effect was used to describe the electron transport at a rough surface. -- Abstract: The relationships between material behaviors and its structures are extremely complicated, and the understanding of these relationships is of much significance for revealing the physical, chemical and mechanical properties of various materials. In this study, the change of the work function (WF) of metals and alloys as a function of surface roughness was investigated by scanning Kelvin probe, with the aim of understanding the inherent correlation between the WF and surface morphology using a simple and intuitive way. It was demonstrated that at the rough surface of Cu and Ag, the sharp micro/nanostructures induced a lower WF, just as the lightning rod effect providing a direct and fast path for electron transport. While for Al and Mg alloys, the rough surface resulted in an increase of the WF owing to the effect of surface oxide layers, just as the anti-lightning rod effect providing a protected layer to confine the electron transport

Map of natural gamma radiation in Spain: radiometric characterization of different types of surfaces

International Nuclear Information System (INIS)

Suarez Mahou, E.; Fernandez Amigot, J.A.; Botas Medina, J.

1997-01-01

The gamma radioactivity flowing from ground and rocks is due to the presence in these of uranium, thorium and potassium-40. The method of radiometric characterization depends on the purpose of the undertaking. Radiometric characterization can be realized on big surfaces (tens or hundreds of square kilometres studied on a national scale), medium size surfaces (50 to 1000 square kilometres, for example, in epidemiological or biological studies in areas with a determined radiometric background) small surfaces of less than 50 square kilometres (industrial sites, pre-operational studies, etc.). This article considers aspects of radiometric characterization on surfaces of interest and describes the contribution of the MARNA (Natural Provisional Radiation Map of Spain) Project selection and radiometric characterization

Oxygen Modulates Human Decidual Natural Killer Cell Surface Receptor Expression and Interactions with Trophoblasts1

Science.gov (United States)

Wallace, Alison E.; Goulwara, Sonu S.; Whitley, Guy S.; Cartwright, Judith E.

2014-01-01

Decidual natural killer (dNK) cells have been shown to both promote and inhibit trophoblast behavior important for decidual remodeling in pregnancy and have a distinct phenotype compared to peripheral blood NK cells. We investigated whether different levels of oxygen tension, mimicking the physiological conditions of the decidua in early pregnancy, altered cell surface receptor expression and activity of dNK cells and their interactions with trophoblast. dNK cells were isolated from terminated first-trimester pregnancies and cultured in oxygen tensions of 3%, 10%, and 21% for 24 h. Cell surface receptor expression was examined by flow cytometry, and the effects of secreted factors in conditioned medium (CM) on the trophoblast cell line SGHPL-4 were assessed in vitro. SGHPL-4 cells treated with dNK cell CM incubated in oxygen tensions of 10% were significantly more invasive (P cells treated with dNK cell CM incubated in oxygen tensions of 3% or 21%. After 24 h, a lower percentage of dNK cells expressed CD56 at 21% oxygen (P cells expressed NKG2D at 10% oxygen (P oxygen tensions, with large patient variation. This study demonstrates dNK cell phenotype and secreted factors are modulated by oxygen tension, which induces changes in trophoblast invasion and endovascular-like differentiation. Alterations in dNK cell surface receptor expression and secreted factors at different oxygen tensions may represent regulation of function within the decidua during the first trimester of pregnancy. PMID:25232021

Verifying the functional ability of microstructured surfaces by model-based testing

Science.gov (United States)

Hartmann, Wito; Weckenmann, Albert

2014-09-01

Micro- and nanotechnology enables the use of new product features such as improved light absorption, self-cleaning or protection, which are based, on the one hand, on the size of functional nanostructures and the other hand, on material-specific properties. With the need to reliably measure progressively smaller geometric features, coordinate and surface-measuring instruments have been refined and now allow high-resolution topography and structure measurements down to the sub-nanometre range. Nevertheless, in many cases it is not possible to make a clear statement about the functional ability of the workpiece or its topography because conventional concepts of dimensioning and tolerancing are solely geometry oriented and standardized surface parameters are not sufficient to consider interaction with non-geometric parameters, which are dominant for functions such as sliding, wetting, sealing and optical reflection. To verify the functional ability of microstructured surfaces, a method was developed based on a parameterized mathematical-physical model of the function. From this model, function-related properties can be identified and geometric parameters can be derived, which may be different for the manufacturing and verification processes. With this method it is possible to optimize the definition of the shape of the workpiece regarding the intended function by applying theoretical and experimental knowledge, as well as modelling and simulation. Advantages of this approach will be discussed and demonstrated by the example of a microstructured inking roll.

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: The influence of zeolite chemical surface characteristics

Energy Technology Data Exchange (ETDEWEB)

Alejandro, Serguei [Laboratorio de Tecnologías Limpias (F. Ingeniería), Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción (Chile); Núcleo de Energías Renovables (F. Ingeniería), Universidad Católica de Temuco, Rudecindo Ortega 02950, Temuco (Chile); Valdés, Héctor, E-mail: hvaldes@ucsc.cl [Laboratorio de Tecnologías Limpias (F. Ingeniería), Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción (Chile); Manéro, Marie-Hélène [Université de Toulouse (France); INPT, UPS (France); Laboratoire de Génie Chimique, 4, Allée Emile Monso, F–31030 Toulouse (France); CNRS (France); Laboratoire de Génie Chimique, F–31030 Toulouse (France); Zaror, Claudio A. [Departamento de Ingeniería Química (F. Ingeniería), Universidad de Concepción, Concepción, Correo 3, Casilla 160–C (Chile)

2014-06-01

Highlights: • Surface acidity of modified natural zeolite is related to its chemical reactivity. • Brønsted acid sites are associated to toluene adsorption. • Lewis acid sites could decompose ozone generating surface active oxygen species. • Infrared spectra evidence active atomic oxygen and oxidation by-product formation. • 2NH4Z1 sample shows the highest reactivity toward adsorbed toluene. - Abstract: In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823 K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623 K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity.

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: The influence of zeolite chemical surface characteristics

International Nuclear Information System (INIS)

Alejandro, Serguei; Valdés, Héctor; Manéro, Marie-Hélène; Zaror, Claudio A.

2014-01-01

Highlights: • Surface acidity of modified natural zeolite is related to its chemical reactivity. • Brønsted acid sites are associated to toluene adsorption. • Lewis acid sites could decompose ozone generating surface active oxygen species. • Infrared spectra evidence active atomic oxygen and oxidation by-product formation. • 2NH4Z1 sample shows the highest reactivity toward adsorbed toluene. - Abstract: In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823 K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623 K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity

Functionalization and Polymerization on the CNT Surfaces

KAUST Repository

Albuerne, Julio

2013-07-01

In this review we focus on the current status of using carbon nanotube (CNT) as a filler for polymer nanocomposites. Starting with the historical background of CNT, its distinct properties and the surface functionalization of the nanotube, the three different surface polymerization techniques, namely grafting "from", "to" and "through/in between" were discussed. Wider focus has been given on "grafting from" surface initiated polymerizations, including atom transfer radical polymerization (ATRP), reversible addition fragmentation chain-transfer (RAFT) Polymerization, nitroxide mediated polymerization (NMP), ring opening polymerization (ROP) and other miscellaneous polymerization methods. The grafting "to" and "through / in between" also discussed and compared with grafting from polymerization. The merits and shortcomings of all three grafting methods were discussed and the bottleneck issue in grafting from method has been highlighted. Furthermore the current and potential future industrial applications were deliberated. Finally the toxicity issue of CNTs in the final product has been reviewed with the limited available literature knowledge. © 2013 Bentham Science Publishers.

Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

DEFF Research Database (Denmark)

Vojvodic, Aleksandra; Ruberto, C.; Lundqvist, Bengt

2010-01-01

) surfaces. The spatial extent and the dangling bond nature of these SRs are supported by real-space analyses of the calculated Kohn-Sham wavefunctions. Then, atomic and molecular adsorption energies, geometries, and charge transfers are presented. An analysis of the adsorbate-induced changes in surface DOSs...

Neisserial surface lipoproteins: structure, function and biogenesis.

Science.gov (United States)

Hooda, Yogesh; Shin, Hyejin E; Bateman, Thomas J; Moraes, Trevor F

2017-03-01

The surface of many Gram-negative bacteria contains lipidated protein molecules referred to as surface lipoproteins or SLPs. SLPs play critical roles in host immune evasion, nutrient acquisition and regulation of the bacterial stress response. The focus of this review is on the SLPs present in Neisseria, a genus of bacteria that colonise the mucosal surfaces of animals. Neisseria contains two pathogens of medical interest, namely Neisseria meningitidis and N. gonorrhoeae. Several SLPs have been identified in Neisseria and their study has elucidated key strategies used by these pathogens to survive inside the human body. Herein, we focus on the identification, structure and function of SLPs that have been identified in Neisseria. We also survey the translocation pathways used by these SLPs to reach the cell surface. Specifically, we elaborate on the strategies used by neisserial SLPs to translocate across the outer membrane with an emphasis on Slam, a novel outer membrane protein that has been implicated in SLP biogenesis. Taken together, the study of SLPs in Neisseria illustrates the widespread roles played by this family of proteins in Gram-negative bacteria. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A microfluidic surface enhanced Raman spectroscopic biosensor using aptamer functionalized nanopillars

DEFF Research Database (Denmark)

Yang, J.; Palla, M.; Bosco, F. G.

2013-01-01

This paper presents a microchip incorporating an aptamer-functionalized nanopillar substrate, enabling the specific detection of low-abundance biomolecules using surface enhanced Raman spectroscopy (SERS). In a temperature controlled microchamber, aptamers immobilized on the nanostructure surface...

Surface functionalization of SPR chip for specific molecular interaction analysis under flow condition

Directory of Open Access Journals (Sweden)

Tao Ma

2017-03-01

Full Text Available Surface functionalization of sensor chip for probe immobilization is crucial for the biosensing applications of surface plasmon resonance (SPR sensors. In this paper, we report a method circulating the dopamine aqueous solution to coat polydopamine film on sensing surface for surface functionalization of SPR chip. The polydopamine film with available thickness can be easily prepared by controlling the circulation time and the biorecognition elements can be immobilized on the polydopamine film for specific molecular interaction analysis. These operations are all performed under flow condition in the fluidic system, and have the advantages of easy implementation, less time consuming, and low cost, because the reagents and devices used in the operations are routinely applied in most laboratories. In this study, the specific absorption between the protein A probe immobilized on the sensing surface and human immunoglobulin G in the buffer is monitored based on this surface functionalization strategy to demonstrated its feasibility for SPR biosensing applications.

A Model to Predict the Steady-State Concentration of Hydroxyl Radicals in the Surface Layer of Natural Waters

International Nuclear Information System (INIS)

Minero, C.; Lauri, V.; Maurino, V.; Pelizzetti, E.; Vione, D.

2007-01-01

A model was developed to predict the steady-state [·OH] in the surface layer of natural waters as a function of nitrate, inorganic carbon (IC) and dissolved organic matter (DOM). The parameter values were studied in the range detected in shallow high-mountain lakes, to which the model results are most relevant. Calculations indicate that [·OH] increases with increasing nitrate and decreasing IC, and conditions are also identified where [·OH] is directly proportional, inversely proportional or independent of DOM. Based on the model results it is possible to predict the half-life time, due to reaction with ·OH, of given dissolved compounds, including organic pollutants, from the water composition data

Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces

Energy Technology Data Exchange (ETDEWEB)

Liu Jing, E-mail: liujing27@mail.hust.edu.cn [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China); Cheney, Marcos A. [Department of Natural Sciences, University of Maryland Eastern Shore, Princess Anne, MD 21853 (United States); Wu Fan; Li Meng [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China)

2011-02-15

A systematic theoretical study using density functional theory is performed to provide molecular-level understanding of the effects of chemical functional groups on mercury adsorption on carbonaceous surfaces. The zigzag and armchair edges were used in modeling the carbonaceous surfaces to simulate different adsorption sites. The edge atoms on the upper side of the models are unsaturated to simulate active sites. All calculations (optimizations, energies, and frequencies) were made at B3PW91 density functional theory level, using RCEP60VDZ basis set for mercury and 6-31G(d) pople basis set for other atoms. The results indicate that the embedding of halogen atom can increase the activity of its neighboring site which in turn increases the adsorption capacity of the carbonaceous surface for Hg{sup 0}. The adsorption belongs to chemisorptions, which is in good agreement with the experimental results. For the effects of oxygen functional groups, lactone, carbonyl and semiquinone favor Hg{sup 0} adsorption because they increase the neighboring site's activity for mercury adsorption. On the contrary, phenol and carboxyl functional groups show a physisorption of Hg{sup 0}, and reduce Hg capture. This result can explain the seemingly conflicting experimental results reported in the literature concerning the influence of oxygen functional groups on mercury adsorption on carbonaceous surface.

Investigations of plasma induced effects on the surface properties of lignocellulosic natural coir fibres

Energy Technology Data Exchange (ETDEWEB)

Praveen, K.M., E-mail: praveenkmiiucnn@gmail.com [International and Inter University Centre for Nano Science and Nanotechnology (IIUCNN), Mahatma Gandhi University, Kottayam, Kerala (India); Centre de Recherche C.Huygens, LIMATB (Laboratoired’Ingénierie des Matériaux de Bretagne), Université De Bretagne-Sud, Rue stMaudé – BP 92116, Cedex Lorient 56321 Lorient (France); Thomas, Sabu [International and Inter University Centre for Nano Science and Nanotechnology (IIUCNN), Mahatma Gandhi University, Kottayam, Kerala (India); Grohens, Yves [Centre de Recherche C.Huygens, LIMATB (Laboratoired’Ingénierie des Matériaux de Bretagne), Université De Bretagne-Sud, Rue stMaudé – BP 92116, Cedex Lorient 56321 Lorient (France); Mozetič, Miran; Junkar, Ita; Primc, Gregor [Department of Surface Engineering, Jozef Stefan Institute, Jamovacesta 39, Ljubljana 1000 (Slovenia); Gorjanc, Marija [Faculty of Natural Sciences and Engineering, University of Ljubljana, Aškerčeva 12, Ljubljana 1000 (Slovenia)

2016-04-15

Graphical abstract: Plasma induced changes on the morphology of coir fibres (Viewed and Analysed using scanning electron microscopy, Jeol JSM 7600 FEG). The O{sub 2} plasma treated fibre possessed increased hydrophilicity due to the chemical and physical changes induced by plasma. - Highlights: • Plasma-induced effects on the surface properties of lignocellulosic natural coir fibres were investigated. • The morphological study using SEM analysis also confirmed the surface changes which were observed after plasma treatment. • The water absorption studies show an increase of water absorption from 39% to around 100%. • The topographic measurements done using atomic force microscopy (AFM) showed etching of fibre wall, and this is responsible for higher water absorption. • XPS analysis reveals that the oxygen content measured for samples treated at 50 Pa increased from initial 18 at% to about 32 at%. - Abstract: The development of lignocellulosic natural-fibre-reinforced polymers composites are constrained by two limitations: the upper temperature at which the fibre can be processed and the significant differences between the surface energy of the fibre and the polymer matrix. Since the fibres and matrices are chemically different, strong adhesion at their interface is needed for the effective transfer of stress and bond distribution throughout the interface. The present study investigated the plasma induced effects on the surface properties of natural coir fibres. Weakly ionized oxygen plasma was created in two different discharge chambers by an inductively coupled radiofrequency (RF) discharge. The water absorption studies showed an increase of water sorption from 39% to 100%. The morphological study using scanning electron microscopy (SEM) analysis also confirmed the surface changes which were observed after the plasma treatment. The topographic measurements and phase imaging done using atomic force microscopy (AFM) indicated difference in topographic

2nd International Conference on Natural Fibers

CERN Document Server

Rana, Sohel

2016-01-01

This book collects selected high quality articles submitted to the 2nd International Conference on Natural Fibers (ICNF2015). A wide range of topics is covered related to various aspects of natural fibres such as agriculture, extraction and processing, surface modification and functionalization, advanced structures, nano fibres, composites and nanocomposites, design and product development, applications, market potential, and environmental impact. Divided into separate sections on these various topics, the book presents the latest high quality research work addressing different approaches and techniques to improve processing, performance, functionalities and cost-effectiveness of natural fibre and natural based products, in order to promote their applications in various advanced technical sectors. This book is a useful source of information for materials scientists, teachers and students from various disciplines as well as for R& D staff in industries using natural fibre based materials. .

Natural gas use in treatment of steel surfaces; Utilizacao de gas natural em tratamento de superficies de aco

Energy Technology Data Exchange (ETDEWEB)

Ferraz, Andre Dias; Machado, Antonio Rogerio; Rocha, Ivan; Azevedo, Jorge; Oshiro, Hugo K.; Konishi, Ricardo; Lehmkuhl, Willian [Companhia de Gas de Santa Catarina (SCGAS), Florianopolis, SC (Brazil); Piazza, Walter [PETROBRAS, Rio de Janeiro, RJ (Brazil)

2011-12-21

The surface treatments of metals, such as carburizing, rely on processing under high temperature in carbon rich atmospheres. The atmosphere is industrially generated using the partial oxidation of a carbon rich fuel, such as propane, butane or methanol. This article reports a study of the production of a carburizing atmosphere for surface treatment of steel from the partial oxidation of natural gas in a catalytic reactor. The reactor studied was a production size reactor with 300 mm of diameter and 1500 mm of length, packed with alumina supported nickel catalyst. The quality of the carburizing gas was evaluated from its carbon potential of the carburizing gas that was calculated from the concentrations of carbon monoxide (CO), carbon dioxide (CO{sub 2}), oxygen (O{sub 2}) and methane (CH{sub 4}) measured at the reactor's exit. The results indicate that CO concentration is very close to equilibrium, while CO{sub 2} is higher and CH{sub 4} is lower. Examining the reactor, the conclusion was that there was an axial temperature gradient, resulting in lower residence time under the required processing temperature. This resulted in smaller decomposition of CH{sub 4} and smaller production of CO{sub 2}. An equilibrium calculation of carbon potential, expressed as weight percent of carbon in iron, was developed to predict the possible optimizations of mixture composition and reactor temperature for a given required carbon potential. Conclusion: it is possible to generate a carburizing atmosphere under well controlled and repeatable conditions for the carbon potentials required for surface carburizing of steels in industrial processing using natural gas and air mixtures. (author)

Radial Basis Function Based Quadrature over Smooth Surfaces

Science.gov (United States)

2016-03-24

Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29

Plasma functionalized surface of commodity polymers for dopamine detection

Energy Technology Data Exchange (ETDEWEB)

Fabregat, Georgina [Departament d’Enginyeria Química, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Center for Research in Nano-Engineering, Universitat Politècnica de Catalunya, Campus Sud, Edifici C’, C/Pasqual i Vila s/n, Barcelona, E-08028 (Spain); Osorio, Joaquin [Departament d’Enginyeria Química, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Castedo, Alejandra [Center for Research in Nano-Engineering, Universitat Politècnica de Catalunya, Campus Sud, Edifici C’, C/Pasqual i Vila s/n, Barcelona, E-08028 (Spain); Institut de Tècniques Energètiques, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Armelin, Elaine [Departament d’Enginyeria Química, E.T.S. d’Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028, Barcelona (Spain); Center for Research in Nano-Engineering, Universitat Politècnica de Catalunya, Campus Sud, Edifici C’, C/Pasqual i Vila s/n, Barcelona, E-08028 (Spain); and others

2017-03-31

Highlights: • Electrochemically inert polymers become electroactive after plasma functionalization. • Selective dopamine detection has been achieved functionalizing polymers with plasma. • Plasma-functionalized polymers are sensitive dopamine detectors. • XPS analyses reflect the transformation of inert polymers into electrosensors. - Abstract: We have fabricated potentially generalizable sensors based on polymeric-modified electrodes for the electrochemical detection of dopamine. Sensitive and selective sensors have been successfully obtained by applying a cold-plasma treatment during 1–2 min not only to conducting polymers but also to electrochemically inert polymers, such as polyethylene, polypropylene, polyvinylpyrrolidone, polycaprolactone and polystyrene. The effects of the plasma in the electrode surface activation, which is an essential requirement for the dopamine detection when inert polymers are used, have been investigated using X-ray photoelectron spectroscopy. Results indicate that exposure of polymer-modified electrodes to cold-plasma produces the formation of a large variety of reactive species adsorbed on the electrode surface, which catalyse the dopamine oxidation. With this technology, which is based on the application of a very simple physical functionalization, we have defined a paradox-based paradigm for the fabrication of electrochemical sensors by using inert and cheap plastics.

Microarray of DNA probes on carboxylate functional beads surface

Institute of Scientific and Technical Information of China (English)

黄承志; 李原芳; 黄新华; 范美坤

2000-01-01

The microarray of DNA probes with 5’ -NH2 and 5’ -Tex/3’ -NH2 modified terminus on 10 um carboxylate functional beads surface in the presence of 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) is characterized in the preseni paper. it was found that the microarray capacity of DNA probes on the beads surface depends on the pH of the aqueous solution, the concentra-tion of DNA probe and the total surface area of the beads. On optimal conditions, the minimum distance of 20 mer single-stranded DNA probe microarrayed on beads surface is about 14 nm, while that of 20 mer double-stranded DNA probes is about 27 nm. If the probe length increases from 20 mer to 35 mer, its microarray density decreases correspondingly. Mechanism study shows that the binding mode of DNA probes on the beads surface is nearly parallel to the beads surface.

Microarray of DNA probes on carboxylate functional beads surface

Institute of Scientific and Technical Information of China (English)

无

2000-01-01

The microarray of DNA probes with 5′-NH2 and 5′-Tex/3′-NH2 modified terminus on 10 m m carboxylate functional beads surface in the presence of 1-ethyl-3-(3-dimethylaminopropyl)- carbodiimide (EDC) is characterized in the present paper. It was found that the microarray capacity of DNA probes on the beads surface depends on the pH of the aqueous solution, the concentration of DNA probe and the total surface area of the beads. On optimal conditions, the minimum distance of 20 mer single-stranded DNA probe microarrayed on beads surface is about 14 nm, while that of 20 mer double-stranded DNA probes is about 27 nm. If the probe length increases from 20 mer to 35 mer, its microarray density decreases correspondingly. Mechanism study shows that the binding mode of DNA probes on the beads surface is nearly parallel to the beads surface.

Surface structure of polymer Gels and emerging functions

CERN Document Server

Kobiki, Y

1999-01-01

We report the surface structure of polymer gels on a submicrometer scale during the volume phase transition. Sponge-like domains with a mesoscopic scale were directly observed in water by using at atomic force microscope (AFM). The surface structure characterized by the domains is discussed in terms of the root-mean-square roughness and the auto-correlation function, which were calculated from the AFM images. In order to demonstrate the role of surface structure in determining the macroscopic properties of film-like poly (N-isopropylacrylamide: NIPA) gels. It was found that the temperature dependence, as well as the absolute values of the static contact angle, were strongly dependent on the bulk network inhomogeneities. The relation between the mesoscopic structure and the macroscopic properties is qualitatively discussed in terms of not only the changes in the chemical, but also in the physical, surface properties of the NIPA gels in response to a temperature change.

Active Surfaces and Interfaces of Soft Materials

Science.gov (United States)

Wang, Qiming

A variety of intriguing surface patterns have been observed on developing natural systems, ranging from corrugated surface of white blood cells at nanometer scales to wrinkled dog skins at millimeter scales. To mimetically harness functionalities of natural morphologies, artificial transformative skin systems by using soft active materials have been rationally designed to generate versatile patterns for a variety of engineering applications. The study of the mechanics and design of these dynamic surface patterns on soft active materials are both physically interesting and technologically important. This dissertation starts with studying abundant surface patterns in Nature by constructing a unified phase diagram of surface instabilities on soft materials with minimum numbers of physical parameters. Guided by this integrated phase diagram, an electroactive system is designed to investigate a variety of electrically-induced surface instabilities of elastomers, including electro-creasing, electro-cratering, electro-wrinkling and electro-cavitation. Combing experimental, theoretical and computational methods, the initiation, evolution and transition of these instabilities are analyzed. To apply these dynamic surface instabilities to serving engineering and biology, new techniques of Dynamic Electrostatic Lithography and electroactive anti-biofouling are demonstrated.

Evolution of the transfer function characterization of surface scatter phenomena

Science.gov (United States)

Harvey, James E.; Pfisterer, Richard N.

2016-09-01

Based upon the empirical observation that BRDF measurements of smooth optical surfaces exhibited shift-invariant behavior when plotted versus    o , the original Harvey-Shack (OHS) surface scatter theory was developed as a scalar linear systems formulation in which scattered light behavior was characterized by a surface transfer function (STF) reminiscent of the optical transfer function (OTF) of modern image formation theory (1976). This shift-invariant behavior combined with the inverse power law behavior when plotting log BRDF versus log   o was quickly incorporated into several optical analysis software packages. Although there was no explicit smooth-surface approximation in the OHS theory, there was a limitation on both the incident and scattering angles. In 1988 the modified Harvey-Shack (MHS) theory removed the limitation on the angle of incidence; however, a moderate-angle scattering limitation remained. Clearly for large incident angles the BRDF was no longer shift-invariant as a different STF was now required for each incident angle. In 2011 the generalized Harvey-Shack (GHS) surface scatter theory, characterized by a two-parameter family of STFs, evolved into a practical modeling tool to calculate BRDFs from optical surface metrology data for situations that violate the smooth surface approximation inherent in the Rayleigh-Rice theory and/or the moderate-angle limitation of the Beckmann-Kirchhoff theory. And finally, the STF can be multiplied by the classical OTF to provide a complete linear systems formulation of image quality as degraded by diffraction, geometrical aberrations and surface scatter effects from residual optical fabrication errors.

Determination of the transfer function for optical surface topography measuring instruments—a review

International Nuclear Information System (INIS)

Foreman, Matthew R; Török, Peter; Giusca, Claudiu L; Leach, Richard K; Coupland, Jeremy M

2013-01-01

A significant number of areal surface topography measuring instruments, largely based on optical techniques, are commercially available. However, implementation of optical instrumentation into production is currently difficult due to the lack of understanding of the complex interaction between the light and the component surface. Studying the optical transfer function of the instrument can help address this issue. Here a review is given of techniques for the measurement of optical transfer functions. Starting from the basis of a spatially coherent, monochromatic confocal scanning imaging system, the theory of optical transfer functions in three-dimensional (3D) imaging is presented. Further generalizations are reviewed allowing the extension of the theory to the description of conventional and interferometric 3D imaging systems. Polychromatic transfer functions and surface topography measurements are also discussed. Following presentation of theoretical results, experimental methods to measure the optical transfer function of each class of system are presented, with a focus on suitable methods for the establishment of calibration standards in 3D imaging and surface topography measurements. (topical review)

Surface modification influencing adsorption of red wine constituents: The role of functional groups

Science.gov (United States)

Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

2016-11-01

The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with -SO3H and -COOH groups can adsorb more of the wine nitrogen-containing compounds whereas -NH2 and -NR3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on -NR3 and -CHO surfaces. The -OH modified surfaces had the lowest ability to absorb wine components.

Activation of room temperature ferromagnetism in ZnO films by surface functionalization with thiol and amine

International Nuclear Information System (INIS)

Jayalakshmi, G.; Gopalakrishnan, N.; Balasubramanian, T.

2013-01-01

Highlights: ► Room temperature ferromagnetism (RTFM) is observed in surface functionalized ZnO films. ► Surface functionalization is a new approach to make ZnO as ferromagnetic. ► The RTFM is attributed to the interaction between the adsorbates and the surface of ZnO. ► The oxygen vacancies are passivated upon surface functionalization. - Abstract: In this paper, we report the activation of room temperature ferromagnetism in ZnO films by surface functionalization with thiol and amine. The pure and surface functionalized ZnO films have been examined by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), photoluminescence (PL) and vibrating sample magnetometer (VSM) measurements. XRD measurements show that all the films have single phase and (0 0 2) preferred orientation. The chemical bonding of ZnO with thiol and amine molecules has been confirmed by XPS measurements. The quenching of visible emission in PL spectra indicates that the surface defects are passivated by functionalization with thiol and amine. Surface functionalization of ZnO films with thiol and amine induces robust room temperature ferromagnetism in ZnO films as evidenced from VSM measurements. It is concluded that the observed ferromagnetic behavior in functionalized ZnO films is attributed to the different electronegativity of the atom in the thiol (or amine) and the surface of ZnO.

Recent progress on magnetic iron oxide nanoparticles: synthesis, surface functional strategies and biomedical applications

Science.gov (United States)

Wu, Wei; Wu, Zhaohui; Yu, Taekyung; Jiang, Changzhong; Kim, Woo-Sik

2015-01-01

This review focuses on the recent development and various strategies in the preparation, microstructure, and magnetic properties of bare and surface functionalized iron oxide nanoparticles (IONPs); their corresponding biological application was also discussed. In order to implement the practical in vivo or in vitro applications, the IONPs must have combined properties of high magnetic saturation, stability, biocompatibility, and interactive functions at the surface. Moreover, the surface of IONPs could be modified by organic materials or inorganic materials, such as polymers, biomolecules, silica, metals, etc. The new functionalized strategies, problems and major challenges, along with the current directions for the synthesis, surface functionalization and bioapplication of IONPs, are considered. Finally, some future trends and the prospects in these research areas are also discussed. PMID:27877761

Tribological investigations of the applicability of surface functionalization for dry extrusion processes

Science.gov (United States)

Teller, Marco; Prünte, Stephan; Ross, Ingo; Temmler, André; Schneider, Jochen M.; Hirt, Gerhard

2017-10-01

Cold extrusion processes are characterized by large relative contact stresses combined with a severe surface enlargement of the workpiece. Under these process conditions a high risk for galling of workpiece material to the tool steel occurs especially in processing of aluminum and aluminum alloys. In order to reduce adhesive wear lubricants for separation of workpiece and tool surfaces are used. As a consequence additional process steps (e.g. preparation and cleaning of workpieces) are necessary. Thus, the realization of a dry forming process is aspired from an environmental and economic perspective. In this paper a surface functionalization with self-assembled-monolayers (SAM) of the tool steels AISI D2 (DIN 1.2379) and AISI H11 (DIN 1.2343) is evaluated by a process-oriented tribological test. The tribological experiment is able to resemble and scale the process conditions of cold extrusion related to relative contact stress and surface enlargement for the forming of pure aluminum (Al99.5). The effect of reduced relative contact stress, surface enlargement and relative velocity on adhesive wear and tool lifetime is evaluated. Similar process conditions are achievable by different die designs with decreased extrusion ratios and adjusted die angles. The effect of surface functionalization critically depends on the substrate material. The different microstructure and the resulting differences in surface chemistry of the two tested tool steels appear to affect the performance of the tool surface functionalization with SAM.

An expert system to characterize the surface morphological properties according to their functionalities

International Nuclear Information System (INIS)

Bigerelle, M; Mathia, T; Iost, A; Correvits, T; Anselme, K

2011-01-01

In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

An expert system to characterize the surface morphological properties according to their functionalities

Energy Technology Data Exchange (ETDEWEB)

Bigerelle, M [Laboratoire Roberval, UMR 6253, UTC/CNRS, UTC Centre de Recherches de Royallieu BP 20529, 60205 Compiegne France stol BS1 6BE (United Kingdom); Mathia, T [Laboratoire de Tribologie et Dynamique des Systemes, UMR 5513, Ecole Centrale de Lyon, 36 Av Guy de Collongue, 69134 Ecully Cedex (France); Iost, A [Laboratoire de Mecanique de Lille, UMR CNRS 8107, Arts et Metiers ParisTech - Lille, 8, boulevard Louis XIV 59046 Lille (France); Correvits, T [Laboratoire de Metrologie. Arts et Metiers ParisTech, ENSAM, 8 boulevard Louis XIV, 59046 LILLE Cedex (France); Anselme, K, E-mail: maxence.bigerelle@utc.fr [Institut De Sciences Des Materiaux De Mulhouse, CNRS LRC 7228, 15, rue Jean Starcky, Universite De Haute-Alsace, BP 2488, 68057 Mulhouse (France)

2011-08-19

In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

Functional levels of floor surface roughness for the prevention of slips and falls: clean-and-dry and soapsuds-covered wet surfaces.

Science.gov (United States)

Kim, In-Ju; Hsiao, Hongwei; Simeonov, Peter

2013-01-01

Literature has shown a general trend that slip resistance performance improves with floor surface roughness. However, whether slip resistance properties are linearly correlated with surface topographies of the floors or what roughness levels are required for effective slip resistance performance still remain to be answered. This pilot study aimed to investigate slip resistance properties and identify functional levels of floor surface roughness for practical design applications in reducing the risk of slip and fall incidents. A theory model was proposed to characterize functional levels of surface roughness of floor surfaces by introducing a new concept of three distinctive zones. A series of dynamic friction tests were conducted using 3 shoes and 9 floor specimens under clean-and-dry as well as soapsuds-covered slippery wet environments. The results showed that all the tested floor-shoe combinations provided sufficient slip resistances performance under the clean-and-dry condition. A significant effect of floor type (surface roughness) on dynamic friction coefficient (DFC) was found in the soapsuds-covered wet condition. As compared to the surface roughness effects, the shoe-type effects were relatively small. Under the soapsuds-covered wet condition, floors with 50 μm in Ra roughness scale seemed to represent an upper bound in the functional range of floor surface roughness for slip resistance because further increase of surface roughness provided no additional benefit. A lower bound of the functional range for slip resistance under the soapsuds-covered wet condition was estimated from the requirement of DFC > 0.4 at Ra ≅ 17 μm. Findings from this study may have potential safety implications in the floor surface design for reducing slip and fall hazards. Published by Elsevier Ltd.

Investigations of plasma induced effects on the surface properties of lignocellulosic natural coir fibres

Science.gov (United States)

Praveen, K. M.; Thomas, Sabu; Grohens, Yves; Mozetič, Miran; Junkar, Ita; Primc, Gregor; Gorjanc, Marija

2016-04-01

The development of lignocellulosic natural-fibre-reinforced polymers composites are constrained by two limitations: the upper temperature at which the fibre can be processed and the significant differences between the surface energy of the fibre and the polymer matrix. Since the fibres and matrices are chemically different, strong adhesion at their interface is needed for the effective transfer of stress and bond distribution throughout the interface. The present study investigated the plasma induced effects on the surface properties of natural coir fibres. Weakly ionized oxygen plasma was created in two different discharge chambers by an inductively coupled radiofrequency (RF) discharge. The water absorption studies showed an increase of water sorption from 39% to 100%. The morphological study using scanning electron microscopy (SEM) analysis also confirmed the surface changes which were observed after the plasma treatment. The topographic measurements and phase imaging done using atomic force microscopy (AFM) indicated difference in topographic features and etching of coir wall, which points to the removal of the first layer of coir fibre. X-ray photoelectron spectroscopy (XPS) analysis revealed that the oxygen content measured for samples treated at 50 Pa increased from initial 18% to about 32%.

Improving the work function of the niobium surface of SRF cavities by plasma processing

International Nuclear Information System (INIS)

Tyagi, P.V.; Doleans, M.; Hannah, B.; Afanador, R.; McMahan, C.; Stewart, S.; Mammosser, J.; Howell, M.; Saunders, J.; Degraff, B.; Kim, S.-H.

2016-01-01

Highlights: • An in situ plasma processing for SNS SRF cavities has been developed to remove hydrocarbons from cavity surface. • Reactive oxygen plasma is very effective to remove hydrocarbons from niobium top surface. • Reactive oxygen plasma processing increases the work function of niobium surface in the range of 0.5–1.0 eV. • It was observed that hydrocarbons can migrate at plasma cleaned top surface from near surface regions when waiting in vacuum at room temperature. • Multiple cycles of plasma processing with waiting periods in between was found beneficial to mitigate such hydrocarbons migration at plasma cleaned surface. - Abstract: An in situ plasma processing technique using chemically reactive oxygen plasma to remove hydrocarbons from superconducting radio frequency cavity surfaces at room temperature has been developed at the spallation neutron source, at Oak Ridge National Laboratory. To understand better the interaction between the plasma and niobium surface, surface studies on small samples were performed. In this article, we report the results from those surface studies. The results show that plasma processing removes hydrocarbons from top surface and improves the surface work function by 0.5–1.0 eV. Improving the work function of RF surface of cavities can help to improve their operational performance.

Nature of the surface states at the single-layer graphene/Cu(111) and graphene/polycrystalline-Cu interfaces

NARCIS (Netherlands)

Pagliara, S.; Tognolini, S.; Bignardi, L.; Galimberti, G.; Achilli, S.; Trioni, M. I.; van Dorp, W. F.; Ocelik, V.; Rudolf, P.; Parmigiani, F.

2015-01-01

Single-layer graphene supported on a metal surface has shown remarkable properties relevant for novel electronic and optoelectronic devices. However, the nature of the electronic states derived from unoccupied surface states and quantum well states, lying in the real-space gap between the graphene

Surface functional groups in capacitive deionization with porous carbon electrodes

Science.gov (United States)

Hemmatifar, Ali; Oyarzun, Diego I.; Palko, James W.; Hawks, Steven A.; Stadermann, Michael; Santiago, Juan G.; Stanford Microfluidics Lab Team; Lawrence Livermore National Lab Team

2017-11-01

Capacitive deionization (CDI) is a promising technology for removal of toxic ions and salt from water. In CDI, an applied potential of about 1 V to pairs of porous electrodes (e.g. activated carbon) induces ion electromigration and electrostatic adsorption at electrode surfaces. Immobile surface functional groups play a critical role in the type and capacity of ion adsorption, and this can dramatically change desalination performance. We here use models and experiments to study weak electrolyte surface groups which protonate and/or depropotante based on their acid/base dissociation constants and local pore pH. Net chemical surface charge and differential capacitance can thus vary during CDI operation. In this work, we present a CDI model based on weak electrolyte acid/base equilibria theory. Our model incorporates preferential cation (anion) adsorption for activated carbon with acidic (basic) surface groups. We validated our model with experiments on custom built CDI cells with a variety of functionalizations. To this end, we varied electrolyte pH and measured adsorption of individual anionic and cationic ions using inductively coupled plasma mass spectrometry (ICP-MS) and ion chromatography (IC) techniques. Our model shows good agreement with experiments and provides a framework useful in the design of CDI control schemes.

Distinctive receptor binding properties of the surface glycoprotein of a natural Feline Leukemia Virus isolate with unusual disease spectrum

Directory of Open Access Journals (Sweden)

Albritton Lorraine M

2011-05-01

Full Text Available Abstract Background Feline leukemia virus (FeLV-945, a member of the FeLV-A subgroup, was previously isolated from a cohort of naturally infected cats. An unusual multicentric lymphoma of non-T-cell origin was observed in natural and experimental infection with FeLV-945. Previous studies implicated the FeLV-945 surface glycoprotein (SU as a determinant of disease outcome by an as yet unknown mechanism. The present studies demonstrate that FeLV-945 SU confers distinctive properties of binding to the cell surface receptor. Results Virions bearing the FeLV-945 Env protein were observed to bind the cell surface receptor with significantly increased efficiency, as was soluble FeLV-945 SU protein, as compared to the corresponding virions or soluble protein from a prototype FeLV-A isolate. SU proteins cloned from other cohort isolates exhibited increased binding efficiency comparable to or greater than FeLV-945 SU. Mutational analysis implicated a domain containing variable region B (VRB to be the major determinant of increased receptor binding, and identified a single residue, valine 186, to be responsible for the effect. Conclusions The FeLV-945 SU protein binds its cell surface receptor, feTHTR1, with significantly greater efficiency than does that of prototype FeLV-A (FeLV-A/61E when present on the surface of virus particles or in soluble form, demonstrating a 2-fold difference in the relative dissociation constant. The results implicate a single residue, valine 186, as the major determinant of increased binding affinity. Computational modeling suggests a molecular mechanism by which residue 186 interacts with the receptor-binding domain through residue glutamine 110 to effect increased binding affinity. Through its increased receptor binding affinity, FeLV-945 SU might function in pathogenesis by increasing the rate of virus entry and spread in vivo, or by facilitating entry into a novel target cell with a low receptor density.

Nature of bonding forces between two hydrogen-passivated silicon wafers

DEFF Research Database (Denmark)

Stokbro, Kurt; Nielsen, E.; Hult, E.

1998-01-01

The nature and strength of the bonding forces between two II-passivated Si surfaces are studied with the density-functional theory, using an approach based on recent theoretical advances in understanding of van der Waals forces between two surfaces. Contrary to previous suggestions of van der Waals...

Surface Functionalization and Targeting Strategies of Liposomes in Solid Tumor Therapy: A Review

Science.gov (United States)

Riaz, Muhammad Kashif; Riaz, Muhammad Adil; Zhang, Xue; Lin, Congcong; Wong, Ka Hong; Chen, Xiaoyu; Lu, Aiping

2018-01-01

Surface functionalization of liposomes can play a key role in overcoming the current limitations of nanocarriers to treat solid tumors, i.e., biological barriers and physiological factors. The phospholipid vesicles (liposomes) containing anticancer agents produce fewer side effects than non-liposomal anticancer formulations, and can effectively target the solid tumors. This article reviews information about the strategies for targeting of liposomes to solid tumors along with the possible targets in cancer cells, i.e., extracellular and intracellular targets and targets in tumor microenvironment or vasculature. Targeting ligands for functionalization of liposomes with relevant surface engineering techniques have been described. Stimuli strategies for enhanced delivery of anticancer agents at requisite location using stimuli-responsive functionalized liposomes have been discussed. Recent approaches for enhanced delivery of anticancer agents at tumor site with relevant surface functionalization techniques have been reviewed. Finally, current challenges of functionalized liposomes and future perspective of smart functionalized liposomes have been discussed. PMID:29315231

Surface Functionalization and Targeting Strategies of Liposomes in Solid Tumor Therapy: A Review

Directory of Open Access Journals (Sweden)

Muhammad Kashif Riaz

2018-01-01

Full Text Available Surface functionalization of liposomes can play a key role in overcoming the current limitations of nanocarriers to treat solid tumors, i.e., biological barriers and physiological factors. The phospholipid vesicles (liposomes containing anticancer agents produce fewer side effects than non-liposomal anticancer formulations, and can effectively target the solid tumors. This article reviews information about the strategies for targeting of liposomes to solid tumors along with the possible targets in cancer cells, i.e., extracellular and intracellular targets and targets in tumor microenvironment or vasculature. Targeting ligands for functionalization of liposomes with relevant surface engineering techniques have been described. Stimuli strategies for enhanced delivery of anticancer agents at requisite location using stimuli-responsive functionalized liposomes have been discussed. Recent approaches for enhanced delivery of anticancer agents at tumor site with relevant surface functionalization techniques have been reviewed. Finally, current challenges of functionalized liposomes and future perspective of smart functionalized liposomes have been discussed.

Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

KAUST Repository

Addou, Rafik; McDonnell, Stephen; Barrera, Diego; Guo, Zaibing; Azcatl, Angelica; Wang, Jian; Zhu, Hui; Hinkle, Christopher L.; Quevedo-Lopez, Manuel; Alshareef, Husam N.; Colombo, Luigi; Hsu, Julia W P; Wallace, Robert M.

2015-01-01

Room temperature X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), high resolution Rutherford backscattering spectrometry (HR-RBS), Kelvin probe method, and scanning tunneling microscopy (STM) are employed to study the properties of a freshly exfoliated surface of geological MoS2 crystals. Our findings reveal that the semiconductor 2H-MoS2 exhibits both n- and p-type behavior, and the work function as measured by the Kelvin probe is found to vary from 4.4 to 5.3 eV. The presence of impurities in parts-per-million (ppm) and a surface defect density of up to 8% of the total area could explain the variation of the Fermi level position. High resolution RBS data also show a large variation in the MoSx composition (1.8 < x < 2.05) at the surface. Thus, the variation in the conductivity, the work function, and stoichiometry across small areas of MoS2 will have to be controlled during crystal growth in order to provide high quality uniform materials for future device fabrication. © 2015 American Chemical Society.

Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

KAUST Repository

Addou, Rafik

2015-09-22

Room temperature X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), high resolution Rutherford backscattering spectrometry (HR-RBS), Kelvin probe method, and scanning tunneling microscopy (STM) are employed to study the properties of a freshly exfoliated surface of geological MoS2 crystals. Our findings reveal that the semiconductor 2H-MoS2 exhibits both n- and p-type behavior, and the work function as measured by the Kelvin probe is found to vary from 4.4 to 5.3 eV. The presence of impurities in parts-per-million (ppm) and a surface defect density of up to 8% of the total area could explain the variation of the Fermi level position. High resolution RBS data also show a large variation in the MoSx composition (1.8 < x < 2.05) at the surface. Thus, the variation in the conductivity, the work function, and stoichiometry across small areas of MoS2 will have to be controlled during crystal growth in order to provide high quality uniform materials for future device fabrication. © 2015 American Chemical Society.

Improving the work function of the niobium surface of SRF cavities by plasma processing

Science.gov (United States)

Tyagi, P. V.; Doleans, M.; Hannah, B.; Afanador, R.; McMahan, C.; Stewart, S.; Mammosser, J.; Howell, M.; Saunders, J.; Degraff, B.; Kim, S.-H.

2016-04-01

An in situ plasma processing technique using chemically reactive oxygen plasma to remove hydrocarbons from superconducting radio frequency cavity surfaces at room temperature has been developed at the spallation neutron source, at Oak Ridge National Laboratory. To understand better the interaction between the plasma and niobium surface, surface studies on small samples were performed. In this article, we report the results from those surface studies. The results show that plasma processing removes hydrocarbons from top surface and improves the surface work function by 0.5-1.0 eV. Improving the work function of RF surface of cavities can help to improve their operational performance.

Improved density functional calculations for atoms, molecules and surfaces

International Nuclear Information System (INIS)

Fricke, B.; Anton, J.; Fritzsche, S.; Sarpe-Tudoran, C.

2005-01-01

The non-collinear and collinear descriptions within relativistic density functional theory is described. We present results of both non-collinear and collinear calculations for atoms, diatomic molecules, and some surface simulations. We find that the accuracy of our density functional calculations for the smaller systems is comparable to good quantum chemical calculations, and thus this method provides a sound basis for larger systems where no such comparison is possible. (author)

Density functional theory, natural bond orbital and quantum theory of ...

Indian Academy of Sciences (India)

Density functional theory, natural bond orbital and quantum theory of atoms in molecule analyses on the hydrogen bonding interactions in tryptophan-water complexes. XIQIAN NIU, ZHENGGUO HUANG. ∗. , LINGLING MA, TINGTING SHEN and LINGFEI GUO. Tianjin Key Laboratory of Structure and Performance for ...

Creation of hydrophobic surfaces using a paint containing functionalized oxide particles

Science.gov (United States)

Sino, Paul Albert L.; Herrera, Marvin U.; Balela, Mary Donnabelle L.

2017-05-01

Hydrophobic surfaces were created by coating various substrates (aluminum sheet, soda-lime glass, silicon carbide polishing paper, glass with double-sided adhesive) with paint containing functionalized oxide particles. The paint was created by functionalizing oxide particles (ground ZnO, TiO2 nanoparticles, or TiO2 microparticles) with fluorosilane molecules in absolute ethanol. Water contact angle of samples shows that the coated substrate becomes hydrophobic (water contact angle ≥ 90°). Among the oxides that were used, ground ZnO yielded contact angle exemplifying superhydrophobicity (water contact angle ≥ 150°). Scanning electron micrograph of paint-containing TiO2 nanoparticles shows rough functionalized oxides structures which probably increase the hydrophobicity of the surface.

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

Science.gov (United States)

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

Surface density mapping of natural tissue by a scanning haptic microscope (SHM).

Science.gov (United States)

Moriwaki, Takeshi; Oie, Tomonori; Takamizawa, Keiichi; Murayama, Yoshinobu; Fukuda, Toru; Omata, Sadao; Nakayama, Yasuhide

2013-02-01

To expand the performance capacity of the scanning haptic microscope (SHM) beyond surface mapping microscopy of elastic modulus or topography, surface density mapping of a natural tissue was performed by applying a measurement theory of SHM, in which a frequency change occurs upon contact of the sample surface with the SHM sensor - a microtactile sensor (MTS) that vibrates at a pre-determined constant oscillation frequency. This change was mainly stiffness-dependent at a low oscillation frequency and density-dependent at a high oscillation frequency. Two paragon examples with extremely different densities but similar macroscopic elastic moduli in the range of natural soft tissues were selected: one was agar hydrogels and the other silicon organogels with extremely low (less than 25 mg/cm(3)) and high densities (ca. 1300 mg/cm(3)), respectively. Measurements were performed in saline solution near the second-order resonance frequency, which led to the elastic modulus, and near the third-order resonance frequency. There was little difference in the frequency changes between the two resonance frequencies in agar gels. In contrast, in silicone gels, a large frequency change by MTS contact was observed near the third-order resonance frequency, indicating that the frequency change near the third-order resonance frequency reflected changes in both density and elastic modulus. Therefore, a density image of the canine aortic wall was subsequently obtained by subtracting the image observed near the second-order resonance frequency from that near the third-order resonance frequency. The elastin-rich region had a higher density than the collagen-rich region.

A comparison of reflectance properties on polymer micro-structured functional surface

DEFF Research Database (Denmark)

Regi, Francesco; Li, Dongya; Nielsen, Jannik Boll

In this study, a functional micro-structure surface [1] has been developed as a combination of arrays of micro ridges. The scope of the surface is to achieve specific directional optical properties: that is, under constrained lighting, maximizing the reflectance from a certain viewing direction, ...

Improved adhesion of Ag NPs to the polyethylene terephthalate surface via atmospheric plasma treatment and surface functionalization

Science.gov (United States)

Shen, Tao; Liu, Yong; Zhu, Yan; Yang, De-Quan; Sacher, Edward

2017-07-01

Ag nanoparticles (NPs) have been widely applied, as important antibacterial materials, on textile and polymer surfaces. However, their adhesion to nonreactive polymer surfaces is generally too weak for many applications. Here, we propose a two-step process, atmospheric plasma treatment followed by a surface chemical modification process, which enhances their adhesion to polyethylene terephthalate (PET) surfaces. We found that, compared to either plasma treatments or surface chemical functionalizations, alone, this combination greatly enhanced their adhesion. The plasma treatment resulted in an increase of active sites (sbnd OH, sbnd CHdbnd O and COOH) at the PET surface, permitting increased bonding to 3-aminopropyltriethoxysilane (APTES), whose sbnd NH2 groups were then able to form a bonding complex with the Ag NPs.

A surface acoustic wave sensor functionalized with a polypyrrole molecularly imprinted polymer for selective dopamine detection.

Science.gov (United States)

Maouche, Naima; Ktari, Nadia; Bakas, Idriss; Fourati, Najla; Zerrouki, Chouki; Seydou, Mahamadou; Maurel, François; Chehimi, Mohammed Mehdi

2015-11-01

A surface acoustic wave sensor operating at 104 MHz and functionalized with a polypyrrole molecularly imprinted polymer has been designed for selective detection of dopamine (DA). Optimization of pyrrole/DA ratio, polymerization and immersion times permitted to obtain a highly selective sensor, which has a sensitivity of 0.55°/mM (≈ 550 Hz/mM) and a detection limit of ≈ 10 nM. Morphology and related roughness parameters of molecularly imprinted polymer surfaces, before and after extraction of DA, as well as that of the non imprinted polymer were characterized by atomic force microscopy. The developed chemosensor selectively recognized dopamine over the structurally similar compound 4-hydroxyphenethylamine (referred as tyramine), or ascorbic acid,which co-exists with DA in body fluids at a much higher concentration. Selectivity tests were also carried out with dihydroxybenzene, for which an unexpected phase variation of order of 75% of the DA one was observed. Quantum chemical calculations, based on the density functional theory, were carried out to determine the nature of interactions between each analyte and the PPy matrix and the DA imprinted PPy polypyrrole sensing layer in order to account for the important phase variation observed during dihydroxybenzene injection. Copyright © 2015 John Wiley & Sons, Ltd.

Cost function for the natural gas transmission, industry: further considerations

International Nuclear Information System (INIS)

Massol, Olivier

2009-01-01

This article studies the cost function for the natural gas transmission industry. 60 years ago, Hollis B. Chenery published an important contribution that demonstrated how, in that particular industry, the production function of micro-economic theory can be rewritten with engineering variables (Chenery, 1949). In 2008, an article published in The Engineering Economist (Yepez, 2008) provided a refreshing revival on Chenery's seminal thoughts. In addition to a tribute to the late H.B. Chenery, this document offers some further comments and extensions on Yepez (2008). It provides a statistically estimated characterisation of the long-run scale economies and a discussion on the short-run economics of the duplication of existing equipments. As a first extension, we study the optimal design for infrastructure that is planned to transport a seasonally-varying flow of natural gas. The second extension analyzes the optimal degree of excess capacity to be built into a new infrastructure by a firm that expects a random rise in its output during the infrastructure's lifetime. (author)

Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

International Nuclear Information System (INIS)

Singha, Somdutta; Sarkar, Ujjaini; Luharuka, Pallavi

2013-01-01

Cr(VI) is present in the aqueous medium as chromate (CrO 4 2− ) and bi-chromate (HCrO 4 − ). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO 3 , HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m 2 /g), FAC-HNO 3 (648.8 m 2 /g) and FAC-HF (726.2 m 2 /g) are comparable to the GAC (777.7 m 2 /g). But, the adsorption capacity of each of the FAC-HNO 3 , FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO 4 2− and HCrO 4 − present. Surface complex formation is maximized in the order FAC-HNO 3 > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R 2 as high as 98.1% for FAC-HNO 3 . This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico-chemical adsorption using functionalized activated carbon (FACs) is applied. ► FACs

Functionalization of silicon nanowire surfaces with metal-organic frameworks

KAUST Repository

Liu, Nian

2011-12-28

Metal-organic frameworks (MOFs) and silicon nanowires (SiNWs) have been extensively studied due to their unique properties; MOFs have high porosity and specific surface area with well-defined nanoporous structure, while SiNWs have valuable one-dimensional electronic properties. Integration of the two materials into one composite could synergistically combine the advantages of both materials and lead to new applications. We report the first example of a MOF synthesized on surface-modified SiNWs. The synthesis of polycrystalline MOF-199 (also known as HKUST-1) on SiNWs was performed at room temperature using a step-by-step (SBS) approach, and X-ray photoelectron spectroscopy, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and energy dispersive spectroscopy elemental mapping were used to characterize the material. Matching of the SiNW surface functional groups with the MOF organic linker coordinating groups was found to be critical for the growth. Additionally, the MOF morphology can by tuned by changing the soaking time, synthesis temperature and precursor solution concentration. This SiNW/MOF hybrid structure opens new avenues for rational design of materials with novel functionalities. © 2011 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

Antimicrobial and Antifouling Polymeric Agents for Surface Functionalization of Medical Implants.

Science.gov (United States)

Zeng, Qiang; Zhu, Yiwen; Yu, Bingran; Sun, Yujie; Ding, Xiaokang; Xu, Chen; Wu, Yu-Wei; Tang, Zhihui; Xu, Fu-Jian

2018-05-09

Combating implant-associated infections is an urgent demand due to the increasing numbers in surgical operations such as joint replacements and dental implantations. Surface functionalization of implantable medical devices with polymeric antimicrobial and antifouling agents is an efficient strategy to prevent bacterial fouling and associated infections. In this work, antimicrobial and antifouling branched polymeric agents (GPEG and GEG) were synthesized via ring-opening reaction involving gentamicin and ethylene glycol species. Due to their rich primary amine groups, they can be readily coated on the polydopamine-modified implant (such as titanium) surfaces. The resultant surface coatings of Ti-GPEG and Ti-GEG produce excellent in vitro antibacterial efficacy toward both Staphylococcus aureus and Escherichia coli, while Ti-GPEG exhibit better antifouling ability. Moreover, the infection model with S. aureus shows that implanted Ti-GPEG possessed excellent antibacterial and antifouling ability in vivo. This study would provide a promising strategy for the surface functionalization of implantable medical devices to prevent implant-associated infections.

The Synthesis of N-Acetyllactosamine Functionalized Dendrimers, and the Functionalization of Silica Surfaces Using Tunable Dendrons and beta-Cyclodextrins

Science.gov (United States)

Ennist, Jessica Helen

Galectin-3 is beta-galactoside binding protein which is found in many healthy cells. In cancer, the galectin-3/tumor-associated Thomsen-Friedenreich antigen (TF antigen) interaction has been implicated in heterotypic and homotypic cellular adhesion and apoptotic signaling pathways. However, a stronger mechanistic understanding of the role of galectin-3 in these processes is needed. N-acetyllactosamine (LacNAc) is a non-native ligand for galectin-3 which binds with comparable affinity to the TF antigen and therefore an important ligand to study galectin-3 mediated processes. To study galectin-3 mediated homotypic cellular aggregation, four generations of polyamidoamine (PAMAM) dendrimers were functionalized with N-acetyllactosamine using a four-step chemoenzymatic route. The enzymatic step controlled the regiochemistry of the galactose addition to N-acetylglucosamine functionalized dendrimers using a recombinant beta-1,4-Galactosyltransferase-/UDP-4'-Gal Epimerase Fusion Protein (lgtB-galE). Homotypic cellular aggregation, which is promoted by the presence of galectin-3 as it binds to glycosides at the cell surface, was studied using HT-1080 fibrosarcoma, A549 lung, and DU-145 prostate cancer cell lines. In the presence of small LacNAc functionalized PAMAM dendrimers, galectin-3 induced cancer cellular aggregation was inhibited. However, the larger glycodendrimers induced homotypic cellular aggregation. Additionally, novel poly(aryl ether) dendronized silica surfaces designed for reversible adsorbtion of targeted analytes were synthesized, and characterization using X-ray Photoelectron Spectroscopy (XPS) was performed. Using a Cu(I) mediated cycloaddition "click" reaction, beta-cyclodextrin was appended to dendronized surfaces via triazole formation and also to a non-dendronized surface for comparison purposes. First generation G(1) dendrons have more than 6 times greater capacity to adsorb targeted analytes than slides functionalized with monomeric beta

Improvement in surface hydrophilicity and resistance to deformation of natural leather through O2/H2O low-temperature plasma treatment

Science.gov (United States)

You, Xuewei; Gou, Li; Tong, Xingye

2016-01-01

The natural leather was modified through O2/H2O low-temperature plasma treatment. Surface morphology was characterized by scanning electron microscopy (SEM) and the results showed that the pores on the leather surface became deeper and larger with enhanced permeability of water and vapor. XPS and FTIR-ATR was performed to determine the chemical composition of natural leather surface. Oxygen-containing groups were successfully grafted onto the surface of natural leather and oxygen content increased with longer treatment time. After O2/H2O plasma treatment, initial water contact angle was about 21° and water contact angles were not beyond 55° after being stored for 3 days. Furthermore, the tensile test indicated that the resistance to deformation had a prominent transform without sacrificing the tensile strength.

Guidelines for the development of natural phenomena hazards design criteria for surface facilities

International Nuclear Information System (INIS)

Nelson, T.A.; Hossain, Q.A.; Murray, R.C.

1992-01-01

This paper discusses the rationale behind the guidelines, criteria, and methodologies that are currently used for natural phenomena hazard design and evaluation of DOE nuclear and non-nuclear facilities. The bases for the performance goals and usage categories specified in UCRL-15910 are examined, and the sources of intentional conservatism in the analyses, design, and evaluation methods and criteria are identified. Outlines of recent developments/changes in DOE Orders related to Natural Phenomena hazard mitigation are also presented. Finally, the authors recommend the use of DOE methodologies as embodied in UCRL-15910 for design and evaluation of surface facilities of the high level nuclear waste repository site

[Research on functional diversity of microorganisms on jujube fruit surface in storage].

Science.gov (United States)

Sha, Yuexia

2009-10-01

Disease during storage caused by microbial infection is a serious problem of jujube fruits. The aim of the study was to characterize the microbial diversity in stored jujube fruits. I used Biolog in experiment. The types of micro-plates were Filamentous Fungi micro-plate and Economicmicro-plate. There was much difference in microbial functional diversity on the surface of stored jujube fruit. The microbial functional diversity of stored 30 days was richer than it of stored 15 days. The diversity, homogeneity and average well color development of jujube used by fruit perservatives were lower than it not used by fruit preservatives. There were six kinds of the characteristic carbon. Our study firstly showed microbial diversity on the surface of stored jujube fruit. Biolog could be applied in the research on microbial functional diversity of fruit surface.

Density functional theory in surface science and heterogeneous catalysis

DEFF Research Database (Denmark)

Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

2006-01-01

Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

Electric fields control the orientation of peptides irreversibly immobilized on radical-functionalized surfaces.

Science.gov (United States)

Martin, Lewis J; Akhavan, Behnam; Bilek, Marcela M M

2018-01-24

Surface functionalization of an implantable device with bioactive molecules can overcome adverse biological responses by promoting specific local tissue integration. Bioactive peptides have advantages over larger protein molecules due to their robustness and sterilizability. Their relatively small size presents opportunities to control the peptide orientation on approach to a surface to achieve favourable presentation of bioactive motifs. Here we demonstrate control of the orientation of surface-bound peptides by tuning electric fields at the surface during immobilization. Guided by computational simulations, a peptide with a linear conformation in solution is designed. Electric fields are used to control the peptide approach towards a radical-functionalized surface. Spontaneous, irreversible immobilization is achieved when the peptide makes contact with the surface. Our findings show that control of both peptide orientation and surface concentration is achieved simply by varying the solution pH or by applying an electric field as delivered by a small battery.

Triptycene dimethyl-bridgehead dianhydride-based intrinsically microporous hydroxyl-functionalized polyimide for natural gas upgrading

KAUST Repository

Alghunaimi, Fahd

2016-07-28

The synthesis and gas permeation properties of a high-performance hydroxyl-functionalized PIM-polyimide (TDA1-APAF) prepared from a novel 9,10-dimethyl-2,3,6,7-triptycene tetracarboxylic dianhydride (TDA1) and a commercially available 2,2-bis(3-amino-4-hydroxyphenyl)-hexafluoropropane (APAF) diamine monomer are reported. The microporous polymer had a BET surface area based on nitrogen adsorption of 260 m2 g−1. A freshly prepared sample exhibited excellent gas permeation properties: (i) CO2 permeability of 40 Barrer coupled with a CO2/CH4 selectivity of 55 and (ii) H2 permeability of 94 Barrer with a H2/CH4 selectivity of 129. Physical aging over 250 days resulted in significantly enhanced CO2/CH4 and H2/CH4 selectivities of 75 and 183, respectively with only ~ 25% loss in CO2 and H2 permeability. Aged TDA1-APAF exhibited 5-fold higher pure-gas CO2 permeability (30 Barrer) and two-fold higher CO2/CH4 permselectivity over conventional dense cellulose triacetate membranes at 2 bar. In addition, TDA1-APAF polyimide had a N2/CH4 selectivity of 2.3, thereby making it potentially possible to bring natural gas with low, but unacceptable nitrogen content to pipeline specification. Gas mixture permeation experiments with a 1:1 CO2/CH4 feed mixture demonstrated higher mixed- than pure-gas selectivity and plasticization resistance up to 30 bar. These results suggest that intrinsically microporous hydroxyl-functionalized triptycene-based polyimides are promising candidate membrane materials for removal of CO2 from natural gas and hydrogen purification in petrochemical refinery applications.

Surface functionalization of detonation nanodiamonds by phosphonic dichloride derivatives.

Science.gov (United States)

Presti, Charlene; Alauzun, Johan G; Laurencin, Danielle; Mutin, P Hubert

2014-08-05

A new method for the functionalization of detonation nanodiamonds (DNDs) is proposed, on the basis of surface modification with phosphonic dichloride derivatives. DNDs were first modified by phenylphosphonic dichloride, and the grafting modes and hydrolytic stability under neutral conditions were investigated using (1)H, (13)C, and (31)P solid state NMR spectroscopy, Fourier transform infrared spectroscopy, as well as elemental analysis. Then, in order to illustrate the possibilities offered by this method, DNDs functionalized by mesityl imidazolium groups were obtained by postmodification of DNDs modified by 12-bromododecylphosphonic dichloride. The oxidative thermal stability of the functionalized DNDs was investigated using thermogravimetric analysis.

Natural sunlight shapes crude oil-degradingbacterial communities in northern Gulf of Mexico surface waters

Directory of Open Access Journals (Sweden)

Hernando P Bacosa

2015-12-01

Full Text Available Following the Deepwater Horizon (DWH spill in 2010, an enormous amount of oil was observed in the deep and surface waters of the northern Gulf of Mexico. Surface waters are characterized by intense sunlight and high temperature during summer. While the oil-degrading bacterial communities in the deep-sea plume have been widely investigated, the effect of natural sunlight on those in oil polluted surface waters remains unexplored to date. In this study, we incubated surface water from the DWH site with amendments of crude oil, Corexit dispersant, or both for 36 d under natural sunlight in the northern Gulf of Mexico. The bacterial community was analyzed over time for total abundance, density of alkane and polycyclic aromatic hydrocarbon degraders, and community composition via pyrosequencing. Our results showed that, for treatments with oil and/or Corexit, sunlight significantly reduced bacterial diversity and evenness and was a key driver of shifts in bacterial community structure. In samples containing oil or dispersant, sunlight greatly reduced abundance of the Cyanobacterium Synechococcus but increased the relative abundances of Alteromonas, Marinobacter, Labrenzia, Sandarakinotalea, Bartonella, and Halomonas. Dark samples with oil were represented by members of Thalassobius, Winogradskyella, Alcanivorax, Formosa, Pseudomonas, Eubacterium, Erythrobacter, Natronocella, and Coxiella. Both oil and Corexit inhibited the Candidatus Pelagibacter with or without sunlight exposure. For the first time, we demonstrated the effects of light in structuring microbial communities in water with oil and/or Corexit. Overall, our findings improve understanding of oil pollution in surface water, and provide unequivocal evidence that sunlight is a key factor in determining bacterial community composition and dynamics in oil polluted marine waters.

Natural convection heat transfer of water in a horizontal circular gap

Institute of Scientific and Technical Information of China (English)

SU Guanghui; Kenichiro Sugiyama; WU Yingwei

2007-01-01

An experimental study on the natural convection heat transfer on a horizontal downward facing heated surface in a water gap was carried out under atmospheric pressure conditions. A total of 700 experimental data points were correlated using Rayleigh versus Nusselt number in various forms, based on different independent variables. The effects of different characteristic lengths and film temperatures were discussed. The results show that the buoyancy force acts as a resistance force for natural convecti on beat transfer ona downward facing horizontal heated surface in a confined space. For the estimation of the natural convection heat transfer under the present conditions, empirical correlations in which Nusselt number is expressed as a function of the Rayleigh number, or both Rayleigh and Prandtl numbers, may be used. When it is accurately predicted, the Nusselt number is expressed as a function of the Rayleigh and Prandtl numbers, as well as the gap width-to-heated surface diameter ratio; and uses the temperature difference between the heated surface and the ambient fluid in the definition of Rayleigh number. The characteristic length is the gap size and the film temperature is the average fluid temperature.

Functional and structural mapping of human cerebral cortex: solutions are in the surfaces

Science.gov (United States)

Van Essen, D. C.; Drury, H. A.; Joshi, S.; Miller, M. I.

1998-01-01

The human cerebral cortex is notorious for the depth and irregularity of its convolutions and for its variability from one individual to the next. These complexities of cortical geography have been a chronic impediment to studies of functional specialization in the cortex. In this report, we discuss ways to compensate for the convolutions by using a combination of strategies whose common denominator involves explicit reconstructions of the cortical surface. Surface-based visualization involves reconstructing cortical surfaces and displaying them, along with associated experimental data, in various complementary formats (including three-dimensional native configurations, two-dimensional slices, extensively smoothed surfaces, ellipsoidal representations, and cortical flat maps). Generating these representations for the cortex of the Visible Man leads to a surface-based atlas that has important advantages over conventional stereotaxic atlases as a substrate for displaying and analyzing large amounts of experimental data. We illustrate this by showing the relationship between functionally specialized regions and topographically organized areas in human visual cortex. Surface-based warping allows data to be mapped from individual hemispheres to a surface-based atlas while respecting surface topology, improving registration of identifiable landmarks, and minimizing unwanted distortions. Surface-based warping also can aid in comparisons between species, which we illustrate by warping a macaque flat map to match the shape of a human flat map. Collectively, these approaches will allow more refined analyses of commonalities as well as individual differences in the functional organization of primate cerebral cortex.

Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle: An alternative theoretical approach based on DFT and MD

Science.gov (United States)

Kamel, Maedeh; Raissi, Heidar; Morsali, Ali; Shahabi, Mahnaz

2018-03-01

In the present work, we have studied the drug delivery performance of the functionalized (5, 5) single-walled carbon nanotube with a carboxylic acid group for Flutamide anticancer drug in the gas phase as well as water solution by means of density functional theory calculations. The obtained results confirmed the energetic stability of the optimized geometries and revealed that the nature of drug adsorption on the functionalized carbon nanotube is physical. Our computations showed that the hydrogen bonding between active sites of Flutamide molecule and the carboxyl functional group of the nanotube plays a vital role in the stabilization of the considered configurations. The natural bond orbital analysis suggested that the functionalized nanotube plays the role of an electron donor and Flutamide molecule acts as an electron acceptor at the investigated complexes. In addition, molecular dynamics simulation is also utilized to investigate the effect of functionalized carbon nanotube chirality on the dynamic process of drug molecule adsorption on the nanotube surface. Simulation results demonstrated that drug molecules are strongly adsorbed on the functionalized nanotube surface with (10,5) chirality, as reflected by the most negative van der Waals interaction energy and a high number of hydrogen bonds between the functionalized nanotube and drug molecules.

Two process chains for creating functional surfaces on mold for 3D geometry

DEFF Research Database (Denmark)

Zhang, Yang; Hansen, Hans Nørgaard; Pedersen, David Bue

. This paper describes and compares 2 approaches for fabricating micro- structured surfaces suitable for patterning of 3D shape cavity for injection moulding. The application investigated for the research is a part of a fixture for electrodes to be implanted inside human body. It is a ring with four wings......Polymer products with functional surfaces are applied in many fields such as medical and bio technology [1][2]. It is believed that certain types of micro- or nano- structured surfaces can enhance tissue anchoring [3]. However, most technologies for the fabrication of micro-structured functional...... surfaces are still limited to flat geometries or geometries with constant curvature [4] . Typically products that need micro structuring on the surface have a three dimensional and complex geometry. There are huge demand for investigation in establishing the micro structures on the surface of a 3D mold...

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: the influence of zeolite chemical surface characteristics.

Science.gov (United States)

Alejandro, Serguei; Valdés, Héctor; Manéro, Marie-Hélène; Zaror, Claudio A

2014-06-15

In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity. Copyright © 2014 Elsevier B.V. All rights reserved.

Surface-enhanced raman spectroscopic studies of ellagic acid in silver colloids

Energy Technology Data Exchange (ETDEWEB)

Lee, Seung Jang; Cheong, Byeong Seo; Cho, Han Gook [Dept. of Chemistry, Incheon National University, Incheon (Korea, Republic of)

2015-06-15

Surface-enhanced Raman scattering (SERS) spectroscopy has been applied for the vibrational characterization of ellagic acid (EA), a natural organic dye, using citrate-reduced silver colloids. The infrared and FT-Raman spectra of EA in the solid state were examined for comparison. Spectral assignments of the observed bands were aided by density functional theory (DFT) calculations employing the B3LYP functional. The variations in the SERS spectrum with pH and excitation wavelength were analyzed to gain information on the adsorption- and pH-dependent behaviors of the natural dye on the metal surface. On the basis of the observed spectral features and DFT calculations, the adsorption configuration of EA on the silver metal surface is proposed.

Surface functionalization of carbon nanofibers by sol-gel coating of zinc oxide

Energy Technology Data Exchange (ETDEWEB)

Shao Dongfeng [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China); Changzhou Textile Garment Institute, Changzhou 213164 (China); Wei Qufu [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)], E-mail: qfwei@jiangnan.edu.cn; Zhang Liwei; Cai Yibing; Jiang Shudong [Key Laboratory of Eco-textiles, Ministry of Education, Jiangnan University, Wuxi 214122 (China)

2008-08-15

In this paper the functional carbon nanofibers were prepared by the carbonization of ZnO coated PAN nanofibers to expand the potential applications of carbon nanofibers. Polyacrylonitrile (PAN) nanofibers were obtained by electrospinning. The electrospun PAN nanofibers were then used as substrates for depositing the functional layer of zinc oxide (ZnO) on the PAN nanofiber surfaces by sol-gel technique. The effects of coating, pre-oxidation and carbonization on the surface morphology and structures of the nanofibers were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Scanning electron microscopy (SEM), respectively. The results of SEM showed a significant increase of the size of ZnO nanograins on the surface of nanofibers after the treatments of coating, pre-oxidation and carbonization. The observations by SEM also revealed that ZnO nanoclusters were firmly and clearly distributed on the surface of the carbon nanofibers. FTIR examination also confirmed the deposition of ZnO on the surface of carbon nanofibers. The XRD analysis indicated that the crystal structure of ZnO nanograins on the surface of carbon nanofibers.

Organic acids in naturally colored surface waters

Science.gov (United States)

Lamar, William L.; Goerlitz, D.F.

1966-01-01

Most of the organic matter in naturally colored surface waters consists of a mixture of carboxylic acids or salts of these acids. Many of the acids color the water yellow to brown; however, not all of the acids are colored. These acids range from simple to complex, but predominantly they are nonvolatile polymeric carboxylic acids. The organic acids were recovered from the water by two techniques: continuous liquid-liquid extraction with n-butanol and vacuum evaporation at 50?C (centigrade). The isolated acids were studied by techniques of gas, paper, and column chromatography and infrared spectroscopy. About 10 percent of the acids recovered were volatile or could be made volatile for gas chromatographic analysis. Approximately 30 of these carboxylic acids were isolated, and 13 of them were individually identified. The predominant part of the total acids could not be made volatile for gas chromatographic analysis. Infrared examination of many column chromatographic fractions indicated that these nonvolatile substances are primarily polymeric hydroxy carboxylic acids having aromatic and olefinic unsaturation. The evidence suggests that some of these acids result from polymerization in aqueous solution. Elemental analysis of the sodium fusion products disclosed the absence of nitrogen, sulfur, and halogens.

Simultaneous measurements of work function and H‒ density including caesiation of a converter surface

Science.gov (United States)

Cristofaro, S.; Friedl, R.; Fantz, U.

2017-08-01

Negative hydrogen ion sources rely on the surface conversion of neutral atomic hydrogen and positive hydrogen ions to H-. The efficiency of this process depends on the actual work function of the converter surface. By introducing caesium into the source the work function decreases, enhancing the negative ion yield. In order to study the impact of the work function on the H- surface production at similar conditions to the ones in ion sources for fusion devices like ITER and DEMO, fundamental investigations are performed in a flexible laboratory experiment. The work function of the converter surface can be absolutely measured by photoelectric effect, while a newly installed cavity ring-down spectroscopy system (CRDS) measures the H- density. The CRDS is firstly tested and characterized by investigations on H- volume production. Caesiation of a stainless steel sample is then performed in vacuum and the plasma effect on the Cs layer is investigated also for long plasma-on times. A minimum work function of (1.9±0.1) eV is reached after some minutes of plasma treatment, resulting in a reduction by a value of 0.8 eV compared to vacuum measurements. The H- density above the surface is (2.1±0.5)×1015 m-3. With further plasma exposure of the caesiated surface, the work function increases up to 3.75 eV, due to the impinging plasma particles which gradually remove the Cs layer. As a result, the H- density decreases by a factor of at least 2.

Surface Functionalization of WO3 Thin Films with (3-Aminopropyl)triethoxysilane and Succinic Anhydride

Science.gov (United States)

Ta, Thi Kieu Hanh; Tran, Thi Nhu Hoa; Tran, Quang Minh Nhat; Pham, Duy Phong; Pham, Kim Ngoc; Cao, Thi Thanh; Kim, Yong Soo; Tran, Dai Lam; Ju, Heongkyu; Phan, Bach Thang

2017-06-01

We report effects of oxygen plasma treatment on the surface functionalization of WO3 thin films with (3-aminopropyl)triethoxysilane (APTES) and succinic anhydride (SA). X-ray diffraction and x-ray photoelectron spectroscopy results indicate the existence of the WO3 phase. Fourier transform infrared spectroscopy measurement shows clear bands at 1040 cm-1 (Si-O-Si), 1556 cm-1 (N-H), 1655 cm-1 (C=O), 2937 cm-1 (C-H) and 3298 cm-1 (N-H), confirming the surface functionalization efficiency enhanced by prior treatment of oxygen plasma. It thus follows that the prior oxygen plasma treatment activates hydroxylation with more -OH groups on the WO3 surface, which can pave a highly efficient way to the surface functionalization by APTES and SA.

Surface modification influencing adsorption of red wine constituents: The role of functional groups

Energy Technology Data Exchange (ETDEWEB)

Mierczynska-Vasilev, Agnieszka, E-mail: agnieszka.mierczynska-vasilev@awri.com.au; Smith, Paul A., E-mail: paul.smith@awri.com.au

2016-11-15

Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO{sub 3}H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH{sub 2} and NR{sub 3} groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR{sub 3} and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO{sub 3}H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH{sub 2} and −NR{sub 3} groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR{sub 3} and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

Surface modification influencing adsorption of red wine constituents: The role of functional groups

International Nuclear Information System (INIS)

Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

2016-01-01

Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO_3H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH_2 and NR_3 groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR_3 and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO_3H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH_2 and −NR_3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR_3 and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

Using the lambda function to evaluate probe measurements of charged dielectric surfaces

DEFF Research Database (Denmark)

Rerup, T. O.; Crichton, George C; McAllister, Iain Wilson

1996-01-01

The use of Pedersen's λ function to evaluate electrostatic probe measurements of charged dielectric surfaces is demonstrated. With a knowledge of the probe λ function, the procedure by which this function is employed is developed, and thereafter applied to a set of experimental measurements avail...

Investigation of Seismic Waves from Non-Natural Sources: A Case Study for Building Collapse and Surface Explosion

Science.gov (United States)

Houng, S.; Hong, T.

2013-12-01

The nature and excitation mechanism of incidents or non-natural events have been widely investigated using seismological techniques. With introduction of dense seismic networks, small-sized non-natural events such as building collapse and chemical explosions are well recorded. Two representative non-natural seismic sources are investigated. A 5-story building in South Korea, Sampoong department store, was collapsed in June 25, 1995, causing casualty of 1445. This accident is known to be the second deadliest non-terror-related building collapse in the world. The event was well recorded by a local station in ~ 9 km away. P and S waves were recorded weak, while monotonic Rayleigh waves were observed well. The origin time is determined using surface-wave arrival time. The magnitude of event is determined to be 1.2, which coincides with a theoretical estimate based on the mass and volume of building. Synthetic waveforms are modeled for various combinations of velocity structures and source time functions, which allow us to constrain the process of building collapse. It appears that the building was collapsed once within a couple of seconds. We also investigate a M2.1 chemical explosion at a fertilizer plant in Texas on April 18, 2013. It was reported that more than one hundred people were dead or injured by the explosion. Seismic waveforms for nearby stations are collected from Incorporated Research Institution of Seismology (IRIS). The event was well recorded at stations in ~500 km away from the source. Strong acoustic signals were observed at stations in a certain great-circle direction. This observation suggests preferential propagation of acoustic waves depending on atmospheric environment. Waveform cross-correlation, spectral analysis and waveform modeling are applied to understand the source physics. We discuss the nature of source and source excitation mechanism.

The surface science of enzymes

DEFF Research Database (Denmark)

Rod, Thomas Holm; Nørskov, Jens Kehlet

2002-01-01

One of the largest challenges to science in the coming years is to find the relation between enzyme structure and function. Can we predict which reactions an enzyme catalyzes from knowledge of its structure-or from its amino acid sequence? Can we use that knowledge to modify enzyme function......? To solve these problems we must understand in some detail how enzymes interact with reactants from its surroundings. These interactions take place at the surface of the enzyme and the question of enzyme function can be viewed as the surface science of enzymes. In this article we discuss how to describe...... catalysis by enzymes, and in particular the analogies between enzyme catalyzed reactions and surface catalyzed reactions. We do this by discussing two concrete examples of reactions catalyzed both in nature (by enzymes) and in industrial reactors (by inorganic materials), and show that although analogies...

Improvement in surface hydrophilicity and resistance to deformation of natural leather through O_2/H_2O low-temperature plasma treatment

International Nuclear Information System (INIS)

You, Xuewei; Gou, Li; Tong, Xingye

2016-01-01

Graphical abstract: - Highlights: • O_2/H_2O can increase oxygen concentration in the plasma compared to the pure O_2 atmosphere. • Pores at the surface of natural leather became larger and deeper with enhanced permeability of water. • The initial water contact angle was about 21°. • Its preferable surface hydrophilicity kept for 3 days, which gives guidance for next process. • The elongation of the treated sample for 10 min was twice as large as that of the untreated sample. - Abstract: The natural leather was modified through O_2/H_2O low-temperature plasma treatment. Surface morphology was characterized by scanning electron microscopy (SEM) and the results showed that the pores on the leather surface became deeper and larger with enhanced permeability of water and vapor. XPS and FTIR-ATR was performed to determine the chemical composition of natural leather surface. Oxygen-containing groups were successfully grafted onto the surface of natural leather and oxygen content increased with longer treatment time. After O_2/H_2O plasma treatment, initial water contact angle was about 21° and water contact angles were not beyond 55° after being stored for 3 days. Furthermore, the tensile test indicated that the resistance to deformation had a prominent transform without sacrificing the tensile strength.

On non-binary nature of the collisions of heavy hyperthermal particles with solid surfaces

Energy Technology Data Exchange (ETDEWEB)

Ferleger, V.Kh. E-mail: root@ariel.tashkent.su; Wojciechowski, I.A

2000-04-01

The limits of applicability of the binary collision approximation for a description of scattering of atomic particles by a solid surface are discussed. The experimental data of energy losses of atoms of hyperthermal energies (HT) scattered by a solid surface were found to bring in evidence for the non-binary nature of collisions in the hyperthermal energy region (1-30 eV). The dependence of the energy losses on the initial energy of the particles and their angles of incidence was shown to be well described by the following model: the particle is being single-scattered by certain complex of surface atoms forming an effective mass. A contribution of the non-binary collisions to the processes of atomic and cluster sputtering is also discussed.

Density functional studies: First principles and semiempirical calculations of clusters and surfaces

International Nuclear Information System (INIS)

Sinnott, S.B.

1993-01-01

In the research presented here, various theoretical electronic structure techniques are utilized to analyze widely different systems from silicon clusters to transition metal solids and surfaces. For the silicon clusters, first principles density functional methods are used to investigate Si N for N = 2-8. The goal is to understand the different types of bonding that can occur in such small clusters where the coordination of the atoms differs substantially from that of the stable bulk tetrahedral bonding. Such uncoordinated structures can provide a good test of more approximate theories that can be used eventually to model silicon surfaces, of obvious technological importance. For the transition metal systems, non-self-consistent electronic structure methods are used to provide an understanding of the driving force for surface relaxations. An in-depth analysis of the results is presented and the physical basis of surface relaxation within the theory is discussed. In addition, the limitations inherent in calculations of metal surface relaxation are addressed. Finally, in an effort to increase understanding of approximate methods, a novel non-self-consistent density functional electronic structure method is developed that is ∼1000 times faster computationally than more sophisticated methods. This new method is tested for a variety of systems including diatomics, mixed clusters, surfaces and bulk lattices. The strengths and weaknesses of the new theory are discussed in detail, leading to greater understanding of non-self-consistent density functional theories as a whole

Functionalized granular activated carbon and surface complexation with chromates and bi-chromates in wastewater

Energy Technology Data Exchange (ETDEWEB)

Singha, Somdutta; Sarkar, Ujjaini, E-mail: usarkar@chemical.jdvu.ac.in; Luharuka, Pallavi

2013-03-01

Cr(VI) is present in the aqueous medium as chromate (CrO{sub 4}{sup 2−}) and bi-chromate (HCrO{sub 4}{sup −}). Functionalized granular activated carbons (FACs) are used as adsorbents in the treatment of wastewaters containing hexavalent chromium. The FACs are prepared by chemical modifications of granular activated carbons (GACs) using functionalizing agents like HNO{sub 3}, HCl and HF. The Brunauer, Emmett and Teller surface areas of FAC-HCl (693.5 m{sup 2}/g), FAC-HNO{sub 3} (648.8 m{sup 2}/g) and FAC-HF (726.2 m{sup 2}/g) are comparable to the GAC (777.7 m{sup 2}/g). But, the adsorption capacity of each of the FAC-HNO{sub 3}, FAC-HCl and FAC-HF is found to be higher than the GAC. The functional groups play an important role in the adsorption process and pH has practically no role in this specific case. The FACs have hydrophilic protonated external surfaces in particular, along with the functional surface sites capable to make complexes with the CrO{sub 4}{sup 2−} and HCrO{sub 4}{sup −} present. Surface complex formation is maximized in the order FAC-HNO{sub 3} > FAC-HF > FAC-HCl, in proportion to the total surface acidity. This is also confirmed by the well-known pseudo second-order kinetic model. Physi-sorption equilibrium isotherms are parameterized by using standard Freundlich and Langmuir models. Langmuir fits better. The formation of surface complexes with the functional groups and hexavalent chromium is also revealed in the images of field emission scanning electron micrograph; energy dispersive X-ray spectroscopy and Fourier transform infrared spectroscopy analysis after adsorption. The intra-particle diffusion is not the only rate-controlling factor. The Boyd's film diffusion model fits very well with R{sup 2} as high as 98.1% for FAC-HNO{sub 3}. This result demonstrates that the functionalization of the GAC by acid treatments would increase the diffusion rate, predominantly with a boundary layer diffusion effect. - Highlights: ► Physico

Nonlocal surface plasmons by Poisson Green's function matching

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J

2006-01-01

The Poisson Green's function for all space is derived for the case in which an interface divides space into two separate semi-infinite media, using the Green's function matching method. Each of the separate semi-infinite constituent parts has its own dynamic, nonlocal polarizability, which is taken to be unaffected by the presence of the interface and is represented by the corresponding bulk response property. While this eliminates Friedel oscillatory phenomenology near the interface with p ∼ 2p F , it is nevertheless quite reasonable and useful for a broad range of lower (nonvanishing) wavenumbers, p F . The resulting full-space Poisson Green's function is dynamic, nonlocal and spatially inhomogeneous, and its frequency pole yields the surface plasmon dispersion relation, replete with dynamic and nonlocal features. It also accommodates an ambient magnetic field

Photochemical modification of diamond powder with sulfur functionalities and its behavior on gold surfaces

International Nuclear Information System (INIS)

Nakamura, T; Ohana, T; Hagiwara, Y; Tsubota, T

2010-01-01

A useful method of modifying the surface of diamond powders with sulfur-containing functionalities was developed by the use of the photolysis of elemental sulfur. The introduction of sulfur-containing functional groups on the diamond surfaces was confirmed by means of XPS, DRIFT and mass spectroscopy analyses. The sulfur-modified diamond powders exhibited surface-attachment behavior to gold surfaces through the sulfur-containing linkage. In brief, exposure of the modified diamond powders to gold colloids resulted in gold nanoparticles being attached to the diamond powders. Treatment of the modified diamond powders with gold thin film on Si substrate afforded alignment of surface-attached diamond powders through sulfur linkages by self-assembly.

Electron work function of stepped tungsten surfaces

International Nuclear Information System (INIS)

Krahl-Urban, B.

1976-03-01

The electron work function of tungsten (110) vicinal faces was measured with the aid of thermionic emission, and its dependence on the crystallographic orientation and the surface structure was investigated. The thermionic measurements were evaluated with the aid of the Richardson plot. The real temperature of the emitting tungsten faces was determined with an accuracy of +- 0.5% in the range between 2,200 and 2,800 K. The vicinal faces under investigation have been prepared with an orientation exactness of +- 15'. In the tungsten (110) vicinal faces under investigation, a strong dependence of the temperature coefficient d PHI/dT of the work function on the crystallographic orientation was found. A strong influence of the edge structure as well as of the step density on the temperature coefficient was observed. (orig./HPOE) [de

Hydrophobic and optical characteristics of graphene and graphene oxide films transferred onto functionalized silica particles deposited glass surface

Science.gov (United States)

Yilbas, B. S.; Ibrahim, A.; Ali, H.; Khaled, M.; Laoui, T.

2018-06-01

Hydrophobic and optical transmittance characteristics of the functionalized silica particles on the glass surface prior and after transfer of graphene and graphene oxide films on the surface are examined. Nano-size silica particles are synthesized and functionalized via chemical grafting and deposited onto a glass surface. Graphene film, grown on copper substrate, was transferred onto the functionalized silica particles surface through direct fishing method. Graphene oxide layer was deposited onto the functionalized silica particles surface via spin coating technique. Morphological, hydrophobic, and optical characteristics of the functionalized silica particles deposited surface prior and after graphene and graphene oxide films transfer are examined using the analytical tools. It is found that the functionalized silica particles are agglomerated at the surface forming packed structures with few micro/nano size pores. This arrangement gives rise to water droplet contact angle and contact angle hysteresis in the order of 163° and 2°, respectively, and remains almost uniform over the entire surface. Transferring graphene and depositing graphene oxide films over the functionalized silica particles surface lowers the water droplet contact angle slightly (157-160°) and increases the contact angle hysteresis (4°). The addition of the graphene and graphene oxide films onto the surface of the deposited functionalized silica particles improves the optical transmittance.

Surface chemical functionalities affect the behavior of human adipose-derived stem cells in vitro

International Nuclear Information System (INIS)

Liu, Xujie; Feng, Qingling; Bachhuka, Akash; Vasilev, Krasimir

2013-01-01

This study examines the effect of surface chemical functionalities on the behavior of human adipose-derived stem cells (hASCs) in vitro. Plasma polymerized films rich in amine (-NH 2 ), carboxyl (-COOH) and methyl (-CH 3 ), were generated on hydroxyapatite (HAp) substrates. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy (XPS). The ability of different substrates to absorb proteins was evaluated. The results showed that substrates modified with hydrophilic functional group (-COOH and -NH 2 ) can absorb more proteins than these modified with more hydrophobic functional group (-CH 3 ). The behavior of human adipose-derived stem cells (hASCs) cultured on different substrates was investigated in vitro: cell counting kit-8 (CCK-8) analysis was used to characterize cell proliferation, scanning electronic microscopy (SEM) analysis was used to characterize cell morphology and alkaline phosphatase (ALP) activity analysis was used to account for differentiation. The results of this study demonstrated that the -NH 2 modified surfaces encourage osteogenic differentiation; the -COOH modified surfaces promote cell adhesion and spreading and the -CH 3 modified surfaces have the lowest ability to induce osteogenic differentiation. These findings confirmed that the surface chemical states of biomaterials can affect the behavior of hASCs in vitro.

Surface chemical functionalities affect the behavior of human adipose-derived stem cells in vitro

Energy Technology Data Exchange (ETDEWEB)

Liu, Xujie [State key laboratory of new ceramics and fine processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Feng, Qingling, E-mail: biomater@mail.tsinghua.edu.cn [State key laboratory of new ceramics and fine processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Bachhuka, Akash [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); Vasilev, Krasimir [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); School of Advanced Manufacturing, University of South Australia, Mawson Lakes 5095 (Australia)

2013-04-01

This study examines the effect of surface chemical functionalities on the behavior of human adipose-derived stem cells (hASCs) in vitro. Plasma polymerized films rich in amine (-NH{sub 2}), carboxyl (-COOH) and methyl (-CH{sub 3}), were generated on hydroxyapatite (HAp) substrates. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy (XPS). The ability of different substrates to absorb proteins was evaluated. The results showed that substrates modified with hydrophilic functional group (-COOH and -NH{sub 2}) can absorb more proteins than these modified with more hydrophobic functional group (-CH{sub 3}). The behavior of human adipose-derived stem cells (hASCs) cultured on different substrates was investigated in vitro: cell counting kit-8 (CCK-8) analysis was used to characterize cell proliferation, scanning electronic microscopy (SEM) analysis was used to characterize cell morphology and alkaline phosphatase (ALP) activity analysis was used to account for differentiation. The results of this study demonstrated that the -NH{sub 2} modified surfaces encourage osteogenic differentiation; the -COOH modified surfaces promote cell adhesion and spreading and the -CH{sub 3} modified surfaces have the lowest ability to induce osteogenic differentiation. These findings confirmed that the surface chemical states of biomaterials can affect the behavior of hASCs in vitro.

Micropatterning of Functional Conductive Polymers with Multiple Surface Chemistries in Register

DEFF Research Database (Denmark)

Lind, Johan Ulrik; Acikgöz, Canet; Daugaard, Anders Egede

2012-01-01

A versatile procedure is presented for fast and efficient micropatterning of multiple types of covalently bound surface chemistry in perfect register on and between conductive polymer microcircuits. The micropatterning principle is applied to several types of native and functionalized PEDOT (poly(3...... functionalized conjugated polymer systems....

Smears for determinations surface unfixed tritium contamination

International Nuclear Information System (INIS)

Postolache, Cristian; Matei, Lidia

2003-01-01

The present paper describes a method of obtaining expanded polystyrene with hydrophilized surface smears by radioinduced grafting of acrylic acid. The grafting was carried out by using a 60 Co γ radiation source. The variation of grafting rates as a function of dose range and absorbed dose was established. Grafting radiochemical rates were determined by radiometric methods using acrylic acid labeled with tritium as a grafting agent. The sampling coefficients and the reproducibility were analyzed as a function of the nature of the contaminated surface. (authors)

Predicting richness effects on ecosystem function in natural communities

DEFF Research Database (Denmark)

Dangles, Olivier; Crespo-Pérez, Verónica; Andino, Patricio

2011-01-01

rates in the field, although water discharge may also play a role locally. We also examined the relative contribution of the three most abundant shredders on decomposition rates by manipulating shredder richness and community composition in a field experiment. Transgressive overyielding was detected....... Despite the increased complexity of experimental and theoretical studies on the biodiversity-ecosystem functioning (B-EF) relationship, a major challenge is to demonstrate whether the observed importance of biodiversity in controlled experimental systems also persists in nature. Due...... to their structural simplicity and their low levels of human impacts, extreme species-poor ecosystems may provide new insights into B-EF relationships in natural systems. We address this issue using shredder invertebrate communities and organic matter decomposition rates in 24 high-altitude (3200-3900 m) Neotropical...

Impact of surface texture on natural convection boundary layer of nanofluid

Directory of Open Access Journals (Sweden)

Mehmood Ahmer

2018-01-01

Full Text Available Heat transfer characteristics are investigated in natural convection flow of water-based nanofluid near a vertical rough wall. The analysis considers five different nanoparticles: silver, copper, alumina, magnetite, and silica. The concentration has been limited between 0-20% for all types of nanoparticle. The governing equations are modeled using the Boussinesq approximation and Tiwari and Das models are utilized to represent the nanofluid. The analysis examines the effects of nanoparticle volume fraction, type of nanofluid, and the wavy surface geometry parameter on the skin friction and Nusselt number. It is observed that for a given nanofluid the skin friction and Nusselt number can be maximized via an appropriate tuning of the wavy surface geometry parameter along with the selection of suitable nanoparticle. Particular to this study cooper is observed to be more productive towards the flow and heat transfer enhancement. In total the metallic oxides are found to be less beneficial as compared to the pure metals.

Enhancing the efficiency of lithium intercalation in carbon nanotube bundles using surface functional groups.

Science.gov (United States)

Xiao, Shiyan; Zhu, Hong; Wang, Lei; Chen, Liping; Liang, Haojun

2014-08-14

The effect of surface functionalization on the ability and kinetics of lithium intercalation in carbon nanotube (CNT) bundles has been studied by comparing the dynamical behaviors of lithium (Li) ions in pristine and -NH2 functionalized CNTs via ab initio molecular dynamics simulations. It was observed that lithium intercalation has been achieved quickly for both the pristine and surface functionalized CNT bundle. Our calculations demonstrated for the first time that CNT functionalization improved the efficiency of lithium intercalation significantly at both low and high Li ion density. Moreover, we found that keeping the nanotubes apart with an appropriate distance and charging the battery at a rational rate were beneficial to achieve a high rate of lithium intercalation. Besides, the calculated adsorption energy curves indicated that the potential wells in the system of -NH2 functionalized CNT were deeper than that of the pristine CNT bundle by 0.74 eV, and a third energy minimum with a value of 2.64 eV existed at the midpoint of the central axis of the nanotube. Thus, it would be more difficult to remove Li ions from the nanotube interior after surface functionalization. The barrier for lithium diffusion in the interior of the nanotube is greatly decreased because of the surface functional groups. Based on these results, we would suggest to "damage" the nanotube by introducing defects at its sidewall in order to improve not only the capacity of surface functionalized CNTs but also the efficiency of lithium intercalation and deintercalation processes. Our results presented here are helpful in understanding the mechanism of lithium intercalation into nanotube bundles, which may potentially be applied in the development of CNT based electrodes.

‘Action’ on structured freeform surfaces

Science.gov (United States)

Whitehouse, David J.

2018-06-01

Surfaces are becoming more complex partly due to the more complicated function required of them and partly due to the introduction of different manufacturing processes. These have thrown into relief the need to consider new ways of measuring and characterizing such surfaces and more importantly to make such characterization more relevant by tying together the geometry and the function more closely. The surfaces which have freeform and structure have been chosen to be a carrier for this investigation because so far there has been little work carried out in this neglected but potentially important area. This necessitates the development of a strategy for their characterization. In this article, some ways have been found of identifying possible strategies for tackling this characterization problem but also linking this characterization to performance and manufacture, based in part on the principles of least action and on the way that nature has evolved to solve the marriage of flexible freeform geometry, structure and function. Recommendations are made for the most suitable surface parameter to use which satisfies the requirement for characterizing structured freeform surfaces as well as utilizing ‘Action’ to predict functionality.

Functional specializations in human cerebral cortex analyzed using the Visible Man surface-based atlas

Science.gov (United States)

Drury, H. A.; Van Essen, D. C.

1997-01-01

We used surface-based representations to analyze functional specializations in the human cerebral cortex. A computerized reconstruction of the cortical surface of the Visible Man digital atlas was generated and transformed to the Talairach coordinate system. This surface was also flattened and used to establish a surface-based coordinate system that respects the topology of the cortical sheet. The linkage between two-dimensional and three-dimensional representations allows the locations of published neuroimaging activation foci to be stereotaxically projected onto the Visible Man cortical flat map. An analysis of two activation studies related to the hearing and reading of music and of words illustrates how this approach permits the systematic estimation of the degree of functional segregation and of potential functional overlap for different aspects of sensory processing.

Evaluating natural resource amenities in a human life expectancy production function

Science.gov (United States)

Neelam C. Poudyal; Donald G. Hodges; J.M. Bowker; H.K. Cordell

2009-01-01

This study examined the effect of natural resource amenities on human life expectancy. Extending theexisting model of the life expectancy production function, and correcting for spatial dependence, weevaluated the determinants of life expectancy using county level data. Results indicate that after controlling

Optimization of a natural medium for cellulase by a marine Aspergillus niger using response surface methodology.

Science.gov (United States)

Xue, Dong-Sheng; Chen, Hui-Yin; Lin, Dong-Qiang; Guan, Yi-Xin; Yao, Shan-Jing

2012-08-01

The components of a natural medium were optimized to produce cellulase from a marine Aspergillus niger under solid state fermentation conditions by response surface methodology. Eichhornia crassipes and natural seawater were used as a major substrate and a source of mineral salts, respectively. Mineral salts of natural seawater could increase cellulase production. Raw corn cob and raw rice straw showed a significant positive effect on cellulase production. The optimum natural medium consisted of 76.9 % E. crassipes (w/w), 8.9 % raw corn cob (w/w), 3.5 % raw rice straw (w/w), 10.7 % raw wheat bran (w/w), and natural seawater (2.33 times the weight of the dry substrates). Incubation for 96 h in the natural medium increased the biomass to the maximum. The cellulase production was 17.80 U/g the dry weight of substrates after incubation for 144 h. The natural medium avoided supplying chemicals and pretreating substrates. It is promising for future practical fermentation of environment-friendly producing cellulase.

Enhanced functional connectivity properties of human brains during in-situ nature experience.

Science.gov (United States)

Chen, Zheng; He, Yujia; Yu, Yuguo

2016-01-01

In this study, we investigated the impacts of in-situ nature and urban exposure on human brain activities and their dynamics. We randomly assigned 32 healthy right-handed college students (mean age = 20.6 years, SD = 1.6; 16 males) to a 20 min in-situ sitting exposure in either a nature (n = 16) or urban environment (n = 16) and measured their Electroencephalography (EEG) signals. Analyses revealed that a brief in-situ restorative nature experience may induce more efficient and stronger brain connectivity with enhanced small-world properties compared with a stressful urban experience. The enhanced small-world properties were found to be correlated with "coherent" experience measured by Perceived Restorativeness Scale (PRS). Exposure to nature also induces stronger long-term correlated activity across different brain regions with a right lateralization. These findings may advance our understanding of the functional activities during in-situ environmental exposures and imply that a nature or nature-like environment may potentially benefit cognitive processes and mental well-being.

Osteoinductive activity of insulin-functionalized cell culture surfaces obtained using diazonium chemistry

Science.gov (United States)

Mikulska, Anna; Filipowska, Joanna; Osyczka, Anna; Nowakowska, Maria; Szczubiałka, Krzysztof

2014-12-01

Polymeric surfaces suitable for cell culture (DR/Pec) were constructed from diazoresin (DR) and pectin (Pec) in a form of ultrathin films using the layer-by-layer (LbL) technique. The surfaces were functionalized with insulin using diazonium chemistry. Such functionalized surfaces were used to culture human mesenchymal stem cells (hMSCs) to assess their suitability for bone tissue engineering and regeneration. The activity of insulin immobilized on the surfaces (DR/Pec/Ins) was compared to that of insulin dissolved in the culture medium. Human MSC grown on insulin-immobilized DR/Pec surfaces displayed increased proliferation and higher osteogenic activity. The latter was determined by means of alkaline phosphatase (ALP) activity, which increases at early stages of osteoblasts differentiation. Insulin dissolved in the culture medium did not stimulate cell proliferation and its osteogenic activity was significantly lower. Addition of recombinant human bone morphogenetic protein 2 (rhBMP-2) to the culture medium further increased ALP activity in hMSCs indicating additive osteogenic action of immobilized insulin and rhBMP-2

Osteoinductive activity of insulin-functionalized cell culture surfaces obtained using diazonium chemistry

Directory of Open Access Journals (Sweden)

Anna eMikulska

2015-01-01

Full Text Available Polymeric surfaces suitable for cell culture (DR/Pec were constructed from diazoresin (DR and pectin (Pec in a form of ultrathin films using the layer-by-layer (LbL technique. The surfaces were functionalized with insulin using diazonium chemistry. Such functionalized surfaces were used to culture human mesenchymal stem cells (hMSCs to assess their suitability for bone tissue engineering and regeneration. The activity of insulin immobilized on the surfaces (DR/Pec/Ins was compared to that of insulin dissolved in the culture medium. Human MSC grown on insulin-immobilized DR/Pec surfaces displayed increased proliferation and higher osteogenic activity. The latter was determined by means of alkaline phosphatase (ALP activity, which increases at early stages of osteoblasts differentiation. Insulin dissolved in the culture medium did not stimulate cell proliferation and its osteogenic activity was significantly lower. Addition of recombinant human bone morphogenetic protein 2 (rhBMP-2 to the culture medium further increased ALP activity in hMSCs indicating additive osteogenic action of immobilized insulin and rhBMP-2

Geographical trends in 137Cs fallout from the Chernobyl accident and leaching from natural surface soil in Norway

International Nuclear Information System (INIS)

Gjelsvik, Runhild; Steinnes, Eiliv

2013-01-01

In order to follow the turnover of 137 Cs in natural soils and estimate future trends in exposure of livestock, samples of natural surface soils were collected at 0–3 cm depth at 464 sites in 1995 and 463 sites in 2005 covering the country. In both cases the geographical pattern observed was similar to the original distribution from 1986, but the decline of 137 Cs activity in the surface soil was not the same everywhere. In 1995 the 137 Cs reduction since 1986 was found to be considerably greater in coastal areas than farther inland. The main reason for this appears to be the much greater deposition of marine cations such as Mg 2+ and Na + in the coastal areas, replacing Cs ions fixed on soil particle surfaces. This cation exchange appeared to be particularly strong near the southern coast where deposition of NH 4 + from transboundary air pollution is evident in addition to the marine cations. During 1995–2005 the 137 Cs decline in the surface soil was more uniform over the country than in the preceding 10-year period but still significantly higher in coastal areas than inland. Differences in precipitation chemistry may have influenced the uptake of 137 Cs in terrestrial food chains. -- Highlights: • We investigated the decline of 137 Cs in natural surface soil in Norway in 1986–2005. • The reduction of 137 Cs in soil was greater in coastal areas then farther inland. • Deposition of marine cations were replacing Cs ions fixed on soil particle surfaces. • In areas with nitrogen compounds NH 4 + cation may compete with Cs + cation

Microscopic work function anisotropy and surface chemistry of 316L stainless steel using photoelectron emission microscopy

Energy Technology Data Exchange (ETDEWEB)

Barrett, N., E-mail: nick.barrett@cea.fr [CEA, IRAMIS, SPEC, LENSIS, F-91191 Gif-sur-Yvette (France); Renault, O. [CEA, LETI, Minatec Campus, F-38054 Grenoble Cedex 09 (France); Lemaître, H. [Université de Cergy-Pontoise, Rue d’Eragny, Neuville sur Oise, 95 031 Cergy-Pontoise (France); Surface Dynamics Laboratory, Institut for Fysik og Astronomi Aarhus Universitet, Ny Munkegade 120, 8000 Aarhus C (Denmark); Bonnaillie, P. [CEA, DEN, DANS, DMN, SRMP, F-91191 Gif-sur-Yvette (France); Barcelo, F. [CEA, DEN, DANS, DMN, SRMA, LA2M, F-91191 Gif-sur-Yvette (France); Miserque, F. [CEA, DEN, DANS, DPC, SCCME, LECA, F-91191 Gif-sur-Yvette (France); Wang, M.; Corbel, C. [Laboratoire des Solides Irradis, Ecole Polytechnique, route de Saclay, F-91128 Palaiseau (France)

2014-08-15

Highlights: • PEEM and EBSD study of spatial variations in local work function of 316L steel. • Correlation between work function and crystal grain orientation at the surface of 316L steel. • Spatially resolved chemistry of residual oxide layer. - Abstract: We have studied the variation in the work function of the surface of sputtered cleaned 316L stainless steel with only a very thin residual oxide surface layer as a function of grain orientation using X-ray photoelectron emission microscopy (XPEEM) and Electron Backscattering Diffraction. The grains are mainly oriented [1 1 1] and [1 0 1]. Four distinct work function values spanning a 150 meV energy window are measured. Grains oriented [1 1 1] have a higher work function than those oriented [1 0 1]. From core level XPEEM we deduce that all grain surfaces are Cr enriched and Ni depleted whereas the Cr/Fe ratio is similar for all grains. The [1 1 1] oriented grains show evidence for a Cr{sub 2}O{sub 3} surface oxide and a higher concentration of defective oxygen sites.

Structural characteristics of surface-functionalized nitrogen-doped diamond-like carbon films and effective adjustment to cell attachment

International Nuclear Information System (INIS)

Liu Ai-Ping; Liu Min; Yu Jian-Can; Qian Guo-Dong; Tang Wei-Hua

2015-01-01

Nitrogen-doped diamond-like carbon (DLC:N) films prepared by the filtered cathodic vacuum arc technology are functionalized with various chemical molecules including dopamine (DA), 3-Aminobenzeneboronic acid (APBA), and adenosine triphosphate (ATP), and the impacts of surface functionalities on the surface morphologies, compositions, microstructures, and cell compatibility of the DLC:N films are systematically investigated. We demonstrate that the surface groups of DLC:N have a significant effect on the surface and structural properties of the film. The activity of PC12 cells depends on the particular type of surface functional groups of DLC:N films regardless of surface roughness and wettability. Our research offers a novel way for designing functionalized carbon films as tailorable substrates for biosensors and biomedical engineering applications. (paper)

Microarray of neuroblastoma cells on the selectively functionalized nanocrystalline diamond thin film surface

International Nuclear Information System (INIS)

Park, Young-Sang; Son, Hyeong-Guk; Kim, Dae-Hoon; Oh, Hong-Gi; Lee, Da-Som; Kim, Min-Hye; Lim, Ki-Moo; Song, Kwang-Soup

2016-01-01

Graphical abstract: - Highlights: • The nanocrystalline diamond (NCD) surface is functionalized with F or O. • The cell adhesion and growth are evaluated on the functionalized NCD surface. • The cell adhesion and growth depend on the wettability of the surface. • Cell patterning was achieved by using of hydrophilic and hydrophobic surfaces. • Neuroblastoma cells were arrayed on the micro-patterned NCD surface. - Abstract: Nanocrystalline diamond (NCD) film surfaces were modified with fluorine or oxygen by plasma treatment in an O_2 or C_3F_8 gas environment in order to induce wettability. The oxygenated-NCD (O-NCD) film surface was hydrophilic and the fluorinated-NCD (F-NCD) surface was hydrophobic. The efficiency of early cell adhesion, which is dependent on the wettability of the cell culture plate and necessary for the growth and proliferation of cells, was 89.62 ± 3.92% on the O-NCD film and 7.78 ± 0.77% on the F-NCD film surface after 3 h of cell culture. The wettability of the NCD film surface was artificially modified using a metal mask and plasma treatment to fabricate a micro-pattern. Four types of micro-patterns were fabricated (line, circle, mesh, and word) on the NCD film surface. We precisely arrayed the neuroblastoma cells on the micro-patterned NCD film surfaces by controlling the surface wettability and cell seeding density. The neuroblastoma cells adhered and proliferated along the O-NCD film surface.

Microarray of neuroblastoma cells on the selectively functionalized nanocrystalline diamond thin film surface

Energy Technology Data Exchange (ETDEWEB)

Park, Young-Sang; Son, Hyeong-Guk; Kim, Dae-Hoon; Oh, Hong-Gi; Lee, Da-Som; Kim, Min-Hye; Lim, Ki-Moo; Song, Kwang-Soup, E-mail: kssong10@kumoh.ac.kr

2016-01-15

Graphical abstract: - Highlights: • The nanocrystalline diamond (NCD) surface is functionalized with F or O. • The cell adhesion and growth are evaluated on the functionalized NCD surface. • The cell adhesion and growth depend on the wettability of the surface. • Cell patterning was achieved by using of hydrophilic and hydrophobic surfaces. • Neuroblastoma cells were arrayed on the micro-patterned NCD surface. - Abstract: Nanocrystalline diamond (NCD) film surfaces were modified with fluorine or oxygen by plasma treatment in an O{sub 2} or C{sub 3}F{sub 8} gas environment in order to induce wettability. The oxygenated-NCD (O-NCD) film surface was hydrophilic and the fluorinated-NCD (F-NCD) surface was hydrophobic. The efficiency of early cell adhesion, which is dependent on the wettability of the cell culture plate and necessary for the growth and proliferation of cells, was 89.62 ± 3.92% on the O-NCD film and 7.78 ± 0.77% on the F-NCD film surface after 3 h of cell culture. The wettability of the NCD film surface was artificially modified using a metal mask and plasma treatment to fabricate a micro-pattern. Four types of micro-patterns were fabricated (line, circle, mesh, and word) on the NCD film surface. We precisely arrayed the neuroblastoma cells on the micro-patterned NCD film surfaces by controlling the surface wettability and cell seeding density. The neuroblastoma cells adhered and proliferated along the O-NCD film surface.

Mechanochemical activation and gallium and indiaarsenides surface catalycity

Science.gov (United States)

Kirovskaya, I. A.; Mironova, E. V.; Umansky, I. V.; Brueva, O. Yu; Murashova, A. O.; Yureva, A. V.

2018-01-01

The present work has been carried out in terms of determining the possibilities for a clearer identification of the active sites nature, intermediate surface compounds nature, functional groups during adsorption and catalysis, activation of the diamond-like semiconductors surface (in particular, the AIIIBV type) based on mechanochemical studies of the “reaction medium (H2O, iso-C3H7OH) - dispersible semiconductor (GaAs, InAs)” systems. As a result, according to the read kinetic curves of dispersion in water, both acidification and alkalinization of the medium have been established and explained; increased activity of the newly formed surface has been noted; intermediate surface compounds, functional groups appearing on the real surface and under H2O adsorption conditions, adsorption and catalytic decomposition of iso-C3H7OH have been found (with explanation of the origin). The unconcealed role of coordinatively unsaturated atoms as active sites of these processes has been shown; the relative catalytic activity of the semiconductors studied has been evaluated. Practical recommendations on the preferred use of gallium arsenide in semiconductor gas analysis and semiconductor catalysis have been given in literature searches, great care should be taken in constructing both.

Zeta function of self-adjoint operators on surfaces of revolution

International Nuclear Information System (INIS)

Lu, Tianshi; Jeffres, Thalia; Kirsten, Klaus

2015-01-01

In this article we analyze the zeta function for the Laplace operator on a surface of revolution. A variety of boundary conditions, separated and unseparated, are considered. Formulas for several residues and values of the zeta function as well as for the determinant of the Laplacian are obtained. The analysis is based upon contour integration techniques in combination with a WKB analysis of solutions of related initial value problems. (paper)

Functionalization of the hydroxyapatite nanoparticles surface: source of new applications

International Nuclear Information System (INIS)

Rojas Sanchez, Leonardo

2012-01-01

The surface of the nano-calcium hydroxyapatite, Ca 10 (PO 4 ) 6 (OH) 2 is reacted with stearic acid, succinic anhydride, succinimide and 2 a minoetil dihydrogenphosphate. Introduction of different functional groups is given onto the surface. An ionic interaction is identified by infrared spectroscopy and Raman between the carboxylate groups of the resulting organic molecules and calcium of the hydroxyapatite. The formation of a P-O-P pyrophosphate type bond has been for 2-aminoethyl dihydrogen phosphate with hydroxyapatite groups. Hydroxyapatite phase was remained in all cases after the reaction as demonstrated by diffraction of x-ray in powder. The amount of spiked molecules is quantified by analysis of thermal degradation which together with the determination of the surface area by BET isotherms of nitrogen adsorption. A degree of surface coverage is estimated by the organic molecules. A maximum percentage of 71% is obtained for the functionalization with succinic anhydride, followed by 57% for the reaction with stearic acid. Dilute suspensions of different materials were prepared for which in phosphate buffer solution have presented two populations around 2 and 5 μm in diameter for the modified particles. The ζ-Potential of various materials was determined occurring a variation in the potential of the unmodified hydroxyapatite. The particles with physicochemical properties different of the starting hydroxyapatite were obtained, this has expanded the range of application of the material. (author) [es

Characterizing Pavement Surface Distress Conditions with Hyper-Spatial Resolution Natural Color Aerial Photography

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Su Zhang

2016-05-01

Full Text Available Roadway pavement surface distress information is critical for effective pavement asset management, and subsequently, transportation management agencies at all levels (i.e., federal, state, and local dedicate a large amount of time and money to routinely evaluate pavement surface distress conditions as the core of their asset management programs. However, currently adopted ground-based evaluation methods for pavement surface conditions have many disadvantages, like being time-consuming and expensive. Aircraft-based evaluation methods, although getting more attention, have not been used for any operational evaluation programs yet because the acquired images lack the spatial resolution to resolve finer scale pavement surface distresses. Hyper-spatial resolution natural color aerial photography (HSR-AP provides a potential method for collecting pavement surface distress information that can supplement or substitute for currently adopted evaluation methods. Using roadway pavement sections located in the State of New Mexico as an example, this research explored the utility of aerial triangulation (AT technique and HSR-AP acquired from a low-altitude and low-cost small-unmanned aircraft system (S-UAS, in this case a tethered helium weather balloon, to permit characterization of detailed pavement surface distress conditions. The Wilcoxon Signed Rank test, Mann-Whitney U test, and visual comparison were used to compare detailed pavement surface distress rates measured from HSR-AP derived products (orthophotos and digital surface models generated from AT with reference distress rates manually collected on the ground using standard protocols. The results reveal that S-UAS based hyper-spatial resolution imaging and AT techniques can provide detailed and reliable primary observations suitable for characterizing detailed pavement surface distress conditions comparable to the ground-based manual measurement, which lays the foundation for the future application

Folic acid functionalized surface highlights 5-methylcytosine-genomic content within circulating tumor cells

KAUST Repository

Malara, Natalia

2014-07-01

Although the detection of methylated cell free DNA represents one of the most promising approaches for relapse risk assessment in cancer patients, the low concentration of cell-free circulating DNA constitutes the biggest obstacle in the development of DNA methylation-based biomarkers from blood. This paper describes a method for the measurement of genomic methylation content directly on circulating tumor cells (CTC), which could be used to deceive the aforementioned problem. Since CTC are disease related blood-based biomarkers, they result essential to monitor tumor\\'s stadiation, therapy, and early relapsing lesions. Within surface\\'s bio-functionalization and cell\\'s isolation procedure standardization, the presented approach reveals a singular ability to detect high 5-methylcytosine CTC-subset content in the whole CTC compound, by choosing folic acid (FA) as transducer molecule. Sensitivity and specificity, calculated for FA functionalized surface (FA-surface), result respectively on about 83% and 60%. FA-surface, allowing the detection and characterization of early metastatic dissemination, provides a unique advance in the comprehension of tumors progression and dissemination confirming the presence of CTC and its association with high risk of relapse. This functionalized surface identifying and quantifying high 5-methylcytosine CTC-subset content into the patient\\'s blood lead significant progress in cancer risk assessment, also providing a novel therapeutic strategy.© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bioactive glass coupling with natural polyphenols: Surface modification, bioactivity and anti-oxidant ability

Science.gov (United States)

Cazzola, Martina; Corazzari, Ingrid; Prenesti, Enrico; Bertone, Elisa; Vernè, Enrica; Ferraris, Sara

2016-03-01

Polyphenols are actually achieving an increasing interest due to their potential health benefits, such as antioxidant, anticancer, antibacterial and bone stimulation abilities. However their poor bioavailability and stability hamper an effective clinical application as therapeutic principles. The opportunity to couple these biomolecules with synthetic biomaterials, in order to obtain local delivery at the site of interest, improve their bioavailability and stability and combine their properties with the ones of the substrate, is a challenging opportunity for the biomedical research. A silica based bioactive glass, CEL2, has been successfully coupled with gallic acid and natural polyphenols extracted from red grape skins and green tea leaves. The effectiveness of grafting has been verified by means of XPS analyses and the Folin&Ciocalteu tests. In vitro bioactivity has been investigated by soaking in simulated body fluid (SBF). Surface modification after functionalization and early stage reactivity in SBF have been studied by means of zeta potential electrokinetic measurements in KCl and SBF. Finally the antioxidant properties of bare and modified bioactive glasses has been investigated by means of the evaluation of free radical scavenging activity by Electron Paramagnetic Resonance (EPR)/spin trapping technique after UV photolysis of H2O2 highlighting scavenging activity of the bioactive glass.

Adsorption of natural surfactants present in sea waters at surfaces of minerals: contact angle measurements

Directory of Open Access Journals (Sweden)

Katarzyna Boniewicz-Szmyt

2009-09-01

Full Text Available The wetting properties of solid mineral samples (by contact angles in original surfactant-containing sea water (Gulf of Gdańsk, Baltic were characterised under laboratory conditions on a large set (31 samples of well-classified stones of diverse hydrophobicity using the sessile drop (ADSA-P approach, captive bubble and inclined plate methods. An experimental relation between the static contact angle θeq and stone density ρ was obtained in the form θeq = Bρ + C, where B = 12.23 ± 0.92, C = - (19.17 ± 0.77, and r2 = 0.92. The histogram of θeq distribution for polished stone plates exhibited a multimodal feature indicating that the most abundant solid materials (hydrophilic in nature have contact angles θeq = 7.2, 10.7, 15.7 and 19.2º, which appear to be applicable to unspecified field stones as well. The contact angle, a pH-dependent quantity, appears to be a sensitive measure of stone grain size, e.g. granite. The captive bubble method gives reproducible results in studies of porous and highly hydrophilic surfaces such as stones and wood. The authors consider the adsorption of natural sea water surfactants on stone surfaces to be the process responsible for contact angle hysteresis. In the model, an equation was derived for determining the solid surface free energy from the liquid's surface tension γLV it also enabled the advancing θA and receding θR contact angles of this liquid to be calculated. Measurements of contact angle hysteresis Δθ (=θA - θR with surfactant-containing sea water and distilled water (reference on the same stone surfaces allowed the film pressure ΔΠ (1.22 to 8.80 mJ m-2, solid surface free energy ΔγS (-17.03 to -23.61 mJ m-2 and work done by spreading ΔWS (-1.23 to -11.52 mJ m-2 to be determined. The variability in these parameters is attributed to autophobing, an effect operative on a solid surface covered with an adsorptive layer of surfactants. The wetting behaviour of solid particles is of great

The Nature and Functions of European Political Borders

Directory of Open Access Journals (Sweden)

Jernej Zupančič

2008-07-01

Full Text Available The political border limits a state’s territory and symbolizes the extent of a state’s power and ownership. Borders give integrity to the inner state territory which they enclose (the role of establishing national integrity and at the same time form an outer boundary segregating the state territory from the surrounding politicial entities (the segregation role. European borders are old and reflect the political history of an old continent. The last major border changes happened after World War II. Over the centuries borders were merely lines separating one territory from another. Such borders were understood as »frontiers«. Forming an effective barrier against enemies was the overriding function of borders. Many borders were fortified and further enhanced by means of various defensive systems. In the second half of the 20th century the character of political borders changed. They became a contact area between countries, nations and cultures. Contemporary European borders reflect the colourful history of an old continent. They are predominantely functional markers: they represent the political and juridical delimitation of territories, they mark economic barriers and show their defensive nature and reveal the extent of cultural contact. As a result of European integration processes, the nature of political borders has changed: instead of division, their integration role is brought to the fore. A united Europe is nevertheless still not a borderless Europe! The borders within the »Schengen-area« have retained their political and administrative functions, it is just that the customs and security checks at the borders have been removed. During the period of European integration, borderlines were stabilized in accordance with the 1974 Helsinki Agreement. But despite this we can still observe ongoing changes to state borders, particularly in areas of conflict such as the Balkan peninsula. It seems after all that the process of demarcation

Analysis of the half-projected Hartree--Fock function: density matrix, natural orbitals, and configuration interaction equivalence

International Nuclear Information System (INIS)

Smeyers, Y.G.; Delgado-Barrio, G.

1976-01-01

The half-projected Hartree--Fock function for singlet states (HPHF) is analyzed in terms of natural electronic configurations. For this purpose the HPHF spinless density matrix and its natural orbitals are first deduced. It is found that the HPHF function does not contain any contribution from odd-times excited configurations. It is seen in addition, in the case of the singlet ground states, this function is approximately equivalent to two closed-shell configurations, although the nature of the excited one depends on the nuclear geometry. An example is given in the case of the LiH ground state. Finally, the application of this model for studying systems of more than two atoms is criticized

Controlled surface functionalization of silica-coated magnetic nanoparticles with terminal amino and carboxyl groups

International Nuclear Information System (INIS)

Kralj, Slavko; Drofenik, Miha; Makovec, Darko

2011-01-01

General and versatile methods for the functionalization of superparamagnetic, silica-coated, maghemite nanoparticles by surface amino and/or carboxyl groups have been established. The nanoparticles were synthesized using co-precipitation from aqueous solutions and coated with a thin layer of silica using the hydrolysis and condensation of tetraethoxysilane (TEOS). For the amino functionalization, 3-(2-aminoethylamino)propylmethyldimethoxysilane (APMS) was grafted onto the nanoparticle surfaces in their aqueous suspensions. The grafting process was followed by measurements of the ζ-potential and a determination of the concentration of the surface amino groups with conductometric titrations. The surface concentration of the amino groups could be varied by increasing the amount of APMS in the grafting process up to approximately 2.3 –NH 2 groups per nm 2 . The carboxyl functionalization was obtained in two ways: (i) by a ring-opening linker elongation reaction of the surface amines at the functionalized nanoparticles with succinic anhydride (SA) in non-aqueous medium, and (ii) by reacting the APMS and SA first, followed by grafting of the carboxyl-terminated reagent onto the nanoparticle surfaces. Using the first method, the SA only reacted with the terminal primary amino groups (–NH 2 ) of the surface-grafted APMS molecules. Infra-red spectroscopy (ATR FTIR) and mass spectrometry (HRMS) showed that the second method enables the bonding of up to two SA molecules per one APMS molecule, since the SA reacted with both the primary (–NH 2 ) and secondary amino (–NH–) groups of the APMS molecule. When using both methods, the ratio between the surface amino and carboxyl groups can be controlled.

Surface modification of promising cerium oxide nanoparticles for nanomedicine applications

KAUST Repository

Nanda, Himansu Sekhar

2016-11-14

Cerium oxide nanoparticles (CNPs) or nanoceria have emerged as a potential nanomedicine for the treatment of several diseases such as cancer. CNPs have a natural tendency to aggregate or agglomerate in their bare state, which leads to sedimentation in a biological environment. Since the natural biological environment is essentially aqueous, nanoparticle surface modification using suitable biocompatible hydrophilic chemical moieties is highly desirable to create effective aqueous dispersions. In this report, (6-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-hexyl)triethoxysilane was used as a functional, biocompatible organosilane to modify the surface of CNPs to produce promising nanoparticles which open substantial therapeutic avenues. The surface modified nanoparticles were produced in situ via an ammonia-induced ethylene glycol-assisted precipitation method and were characterized using complimentary characterization techniques. The interaction between the functional moiety and the nanoparticle was studied using powerful cross polarization/magic angle sample spinning solid state nuclear magnetic resonance spectroscopy. The surface-modified nanoparticles were extremely small and demonstrated a significant improvement in aqueous dispersibility. Moreover, the existence of a strong ionic coordination between the functional moiety and the surface of the nanoparticle was realised, indicating that the surface modified nanoceria are stable and that the nanoparticles should demonstrate an enhanced circulation time in a biological environment. The surface modification approach should be promising for the production of CNPs for nanomedicine applications. © The Royal Society of Chemistry.

Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors.

Science.gov (United States)

Zheng, Wei; van den Hurk, Remko; Cao, Yong; Du, Rongbing; Sun, Xuejun; Wang, Yiyu; McDermott, Mark T; Evoy, Stephane

2016-03-14

Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

Aryl Diazonium Chemistry for the Surface Functionalization of Glassy Biosensors

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Wei Zheng

2016-03-01

Full Text Available Nanostring resonator and fiber-optics-based biosensors are of interest as they offer high sensitivity, real-time measurements and the ability to integrate with electronics. However, these devices are somewhat impaired by issues related to surface modification. Both nanostring resonators and photonic sensors employ glassy materials, which are incompatible with electrochemistry. A surface chemistry approach providing strong and stable adhesion to glassy surfaces is thus required. In this work, a diazonium salt induced aryl film grafting process is employed to modify a novel SiCN glassy material. Sandwich rabbit IgG binding assays are performed on the diazonium treated SiCN surfaces. Fluorescently labelled anti-rabbit IgG and anti-rabbit IgG conjugated gold nanoparticles were used as markers to demonstrate the absorption of anti-rabbit IgG and therefore verify the successful grafting of the aryl film. The results of the experiments support the effectiveness of diazonium chemistry for the surface functionalization of SiCN surfaces. This method is applicable to other types of glassy materials and potentially can be expanded to various nanomechanical and optical biosensors.

Functionalization of polymer surfaces by medium frequency non-thermal plasma

Science.gov (United States)

Felix, T.; Trigueiro, J. S.; Bundaleski, N.; Teodoro, O. M. N. D.; Sério, S.; Debacher, N. A.

2018-01-01

This work addresses the surface modification of different polymers by argon dielectric barrier discharge, using bromoform vapours. Atomic Force Microscopy and Scanning Electron Microscopy showed that plasma etching occurs in stages and may be related to the reach of the species generated and obviously the gap between the electrodes. In addition, the stages of flatten surface or homogeneity may be the result of the transient crosslinking promoted by the intense UV radiation generated by the non- thermal plasma. X-ray Photoelectron Spectroscopy analysis showed that bromine was inserted on the polymer surface as Csbnd Br bonds and as adsorbed HBr. The obtained results demonstrate that the highest degree of bromofunctionalization was achieved on polypropylene surface, which contains about 8,5% of Br. After its derivatization in ammonia, Br disappeared and about 6% of nitrogen in the form of amine group was incorporated at the surface. This result can be considered as a clear fingerprint of the Br substitution by the amine group, thus illustrating the efficiency of the proposed method for functionalization of polymer surfaces.

Systemic functional grammar in natural language generation linguistic description and computational representation

CERN Document Server

Teich, Elke

1999-01-01

This volume deals with the computational application of systemic functional grammar (SFG) for natural language generation. In particular, it describes the implementation of a fragment of the grammar of German in the computational framework of KOMET-PENMAN for multilingual generation. The text also presents a specification of explicit well-formedness constraints on syntagmatic structure which are defined in the form of typed feature structures. It thus achieves a model of systemic functional grammar that unites both the strengths of systemics, such as stratification, functional diversification

Natural Sunlight Shapes Crude Oil-Degrading Bacterial Communities in Northern Gulf of Mexico Surface Waters.

Science.gov (United States)

Bacosa, Hernando P; Liu, Zhanfei; Erdner, Deana L

2015-01-01

Following the Deepwater Horizon (DWH) spill in 2010, an enormous amount of oil was observed in the deep and surface waters of the northern Gulf of Mexico. Surface waters are characterized by intense sunlight and high temperature during summer. While the oil-degrading bacterial communities in the deep-sea plume have been widely investigated, the effect of natural sunlight on those in oil polluted surface waters remains unexplored to date. In this study, we incubated surface water from the DWH site with amendments of crude oil, Corexit dispersant, or both for 36 days under natural sunlight in the northern Gulf of Mexico. The bacterial community was analyzed over time for total abundance, density of alkane and polycyclic aromatic hydrocarbon degraders, and community composition via pyrosequencing. Our results showed that, for treatments with oil and/or Corexit, sunlight significantly reduced bacterial diversity and evenness and was a key driver of shifts in bacterial community structure. In samples containing oil or dispersant, sunlight greatly reduced abundance of the Cyanobacterium Synechococcus but increased the relative abundances of Alteromonas, Marinobacter, Labrenzia, Sandarakinotalea, Bartonella, and Halomonas. Dark samples with oil were represented by members of Thalassobius, Winogradskyella, Alcanivorax, Formosa, Pseudomonas, Eubacterium, Erythrobacter, Natronocella, and Coxiella. Both oil and Corexit inhibited the Candidatus Pelagibacter with or without sunlight exposure. For the first time, we demonstrated the effects of light in structuring microbial communities in water with oil and/or Corexit. Overall, our findings improve understanding of oil pollution in surface water, and provide unequivocal evidence that sunlight is a key factor in determining bacterial community composition and dynamics in oil polluted marine waters.

Properties of natural and synthetic hydroxyapatite and their surface free energy determined by the thin-layer wicking method

Science.gov (United States)

Szcześ, Aleksandra; Yan, Yingdi; Chibowski, Emil; Hołysz, Lucyna; Banach, Marcin

2018-03-01

Surface free energy is one of the parameters accompanying interfacial phenomena, occurring also in the biological systems. In this study the thin layer wicking method was used to determine surface free energy and its components for synthetic hydroxyapatite (HA) and natural one obtained from pig bones. The Raman, FTIR and X-Ray photoelectron spectroscopy, X-ray diffraction techniques and thermal analysis showed that both samples consist of carbonated hydroxyapatite without any organic components. Surface free energy and its apolar and polar components were found to be similar for both investigated samples and equalled γSTOT = 52.4 mJ/m2, γSLW = 40.2 mJ/m2 and γSAB = 12.3 mJ/m2 for the synthetic HA and γSTOT = 54.6 mJ/m2, γSLW = 40.3 mJ/m2 and γSAB = 14.3 mJ/m2 for the natural one. Both HA samples had different electron acceptor (γs+) and electron donor (γs-) parameters. The higher value of the electron acceptor was found for the natural HA whereas the electron donor one was higher for the synthetic HA

A cost function for the natural gas transmission industry: further considerations

International Nuclear Information System (INIS)

Massol, O.

2009-09-01

This article studies the cost function for the natural gas transmission industry. 60 years ago, Hollis B. Chenery published an important contribution that demonstrated how, in that particular industry, the production function of micro-economic theory can be rewritten with engineering variables (Chenery, 1949). In 2008, an article published in The Engineering Economist (Yepez, 2008) provided a refreshing revival on Chenery's seminal thoughts. In addition to a tribute to the late H.B. Chenery, this document offers some further comments and extensions on Yepez (2008). It provides a statistically estimated characterisation of the long-run scale economies and a discussion on the short-run economics of the duplication of existing equipments. As a first extension, we study the optimal design for infrastructure that is planned to transport a seasonally-varying flow of natural gas. The second extension analyzes the optimal degree of excess capacity to be built into a new infrastructure by a firm that expects a random rise in its output during the infrastructure's lifetime. (author)

Effect of softening precipitate composition and surface characteristics on natural organic matter adsorption.

Science.gov (United States)

Russell, Caroline G; Lawler, Desmond F; Speitel, Gerald E; Katz, Lynn E

2009-10-15

Natural organic matter (NOM) removal during water softening is thought to occur through adsorption onto or coprecipitation with calcium and magnesium solids. However, details of precipitate composition and surface chemistry and subsequent interactions with NOM are relatively unknown. In this study, zeta potentiometry analyses of precipitates formed from inorganic solutions under varying conditions (e.g., Ca-only, Mg-only, Ca + Mg, increasing lime or NaOH dose) indicated that both CaCO3 and Mg(OH)2 were positively charged at higher lime (Ca(OH)2) and NaOH doses (associated with pH values above 11.5), potentially yielding a greater affinity for adsorbing negatively charged organic molecules. Environmental scanning electron microscopy (ESEM) images of CaCO3 solids illustrated the rhombohedral shape characteristic of calcite. In the presence of increasing concentrations of magnesium, the CaCO3 rhombs shifted to more elongated crystals. The CaCO3 solids also exhibited increasingly positive surface charge from Mg incorporation into the crystal lattice, potentially creating more favorable conditions for adsorption of organic matter. NOM adsorption experiments using humic substances extracted from Lake Austin and Missouri River water elucidated the role of surface charge and surface area on adsorption.

Self-consistent density functional calculation of the image potential at a metal surface

International Nuclear Information System (INIS)

Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

2007-01-01

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

Self-consistent density functional calculation of the image potential at a metal surface

Energy Technology Data Exchange (ETDEWEB)

Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

2007-07-04

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

Radical Initiated Hydrosilylation on Silicon Nanocrystal Surfaces: An Evaluation of Functional Group Tolerance and Mechanistic Study.

Science.gov (United States)

Yang, Zhenyu; Gonzalez, Christina M; Purkait, Tapas K; Iqbal, Muhammad; Meldrum, Al; Veinot, Jonathan G C

2015-09-29

Hydrosilylation is among the most common methods used for modifying silicon surface chemistry. It provides a wide range of surface functionalities and effective passivation of surface sites. Herein, we report a systematic study of radical initiated hydrosilylation of silicon nanocrystal (SiNC) surfaces using two common radical initiators (i.e., 2,2'-azobis(2-methylpropionitrile) and benzoyl peroxide). Compared to other widely applied hydrosilylation methods (e.g., thermal, photochemical, and catalytic), the radical initiator based approach is particle size independent, requires comparatively low reaction temperatures, and yields monolayer surface passivation after short reaction times. The effects of differing functional groups (i.e., alkene, alkyne, carboxylic acid, and ester) on the radical initiated hydrosilylation are also explored. The results indicate functionalization occurs and results in the formation of monolayer passivated surfaces.

Grafting of phosphorylcholine functional groups on polycarbonate urethane surface for resisting platelet adhesion

Energy Technology Data Exchange (ETDEWEB)

Gao, Bin [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Feng, Yakai, E-mail: yakaifeng@hotmail.com [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China); Key Laboratory of Systems Bioengineering, Ministry of Education, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Lu, Jian; Zhang, Li; Zhao, Miao; Shi, Changcan; Khan, Musammir [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Guo, Jintang [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China)

2013-07-01

In order to improve the resistance of platelet adhesion on material surface, 2-methacryloyloxyethyl phosphorylcholine (MPC) was grafted onto polycarbonate urethane (PCU) surface via Michael reaction to create biomimetic structure. After introducing primary amine groups via coupling tris(2-aminoethyl)amine (TAEA) onto the polymer surface, the double bond of MPC reacted with the amino group to obtain MPC modified PCU. The modified surface was characterized by Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The results verified that MPC was grafted onto PCU surface by Michael reaction method. The MPC grafted PCU surface had a low water contact angle and a high water uptake. This means that the hydrophilic PC functional groups improved the surface hydrophilicity significantly. In addition, surface morphology of MPC grafted PCU film was imaged by atomic force microscope (AFM). The results showed that the grafted surface was rougher than the blank PCU surface. In addition, platelet adhesion study was evaluated by scanning electron microscopy (SEM) observation. The PCU films after treated with platelet-rich plasma demonstrated that much fewer platelets adhered to the MPC-grafted PCU surface than to the blank PCU surface. The antithrombogenicity of the MPC-grafted PCU surface was determined by the activated partial thromboplastin time (APTT). The result suggested that the MPC modified PCU may have potential application as biomaterials in blood-contacting and some subcutaneously implanted devices. - Highlights: • MPC was successfully grafted onto polycarbonate urethane surface via Michael reaction. • High concentration of PC functional groups on the surface via TAEA molecule • Biomimetic surface modification • The modified surface showed high hydrophilicity and anti-platelet adhesion.

Exploring the surface reactivity of 3d metal endofullerenes: a density-functional theory study.

Science.gov (United States)

Estrada-Salas, Rubén E; Valladares, Ariel A

2009-09-24

Changes in the preferential sites of electrophilic, nucleophilic, and radical attacks on the pristine C60 surface with endohedral doping using 3d transition metal atoms were studied via two useful reactivity indices, namely the Fukui functions and the molecular electrostatic potential. Both of these were calculated at the density functional BPW91 level of theory with the DNP basis set. Our results clearly show changes in the preferential reactivity sites on the fullerene surface when it is doped with Mn, Fe, Co, or Ni atoms, whereas there are no significant changes in the preferential reactivity sites on the C60 surface upon endohedral doping with Cu and Zn atoms. Electron affinities (EA), ionization potentials (IP), and HOMO-LUMO gaps (Eg) were also calculated to complete the study of the endofullerene's surface reactivity. These findings provide insight into endofullerene functionalization, an important issue in their application.

Experimental and statistical analysis of surface charge, aggregation and adsorption behaviors of surface-functionalized titanium dioxide nanoparticles in aquatic system

Energy Technology Data Exchange (ETDEWEB)

Xiang Chengcheng [West Virginia University, Department of Mechanical and Aerospace Engineering, WVNano Initiative (United States); Yang Feng, E-mail: feng.yang@mail.wvu.edu [West Virginia University, Department of Industrial and Management Systems Engineering (United States); Li Ming [West Virginia University, Department of Mechanical and Aerospace Engineering, WVNano Initiative (United States); Jaridi, Majid [West Virginia University, Department of Industrial and Management Systems Engineering (United States); Wu Nianqiang, E-mail: nick.wu@mail.wvu.edu [West Virginia University, Department of Mechanical and Aerospace Engineering, WVNano Initiative (United States)

2013-01-15

One hundred and fifty nanometers sized anatase titanium dioxide nanoparticles (TiO{sub 2} NPs) have been functionalized with the -CH{sub 3}, -NH{sub 2}, -SH, -OH, -COOH, and -SO{sub 3}H terminal groups. Surface charge, aggregation, and adsorption behaviors of the functionalized NPs in aquatic phase have been investigated by a set of experiments following the full factorial design. The dependence of surface charge, suspension size, and surface adsorption upon the various factors (including surface chemistry of NPs, the pH value, and ionic strength of an aqueous solution) has been studied with the statistical methods such as multiple linear regressions and multiple comparison tests. The surface functional group on the TiO{sub 2} NPs affects the characteristics in the simulated aquatic environment. The correlations among the characteristics of NPs have also been investigated by obtaining Pearson's correlation coefficient. The hydrodynamic size is negatively correlated with the absolute value of zeta potential, and positively correlated with the ionic strength. In the NaCl solution, the charge screening effect is responsible for the aggregation. In the CaCl{sub 2} solution, the charge screening effect is dominant mechanism for aggregation at a low salt concentration. In contrast, the interaction between Ca{sup 2+} ions and the specific functional group plays a significant role at a high salt concentration. The adsorption efficiency of humic acid decreases with an increase in the pH value, whereas increases with an increase in the ionic strength. The adsorption efficiency is positively correlated with the zeta potential. The statistical analysis methods and the results have implications in assessment of potential environmental risks posed by engineered nanoparticles.

SEPARATION OF CELL POPULATIONS BY SUPER-PARAMAGNETIC PARTICLES WITH CONTROLLED SURFACE FUNCTIONALITY

Directory of Open Access Journals (Sweden)

Lootsik M. D.

2014-02-01

Full Text Available The recognition and isolation of specific mammalian cells by the biocompatible polymer coated super-paramagnetic particles with determined surface functionality were studied. The method of synthesis of nanoscaled particles on a core of iron III oxide (Fe2O3, magemit coated with a polymer shell containing reactive oligoperoxide groups for attachment of ligands is described. By using the developed superparamagnetic particles functionalized with peanut agglutinin (PNA we have separated the sub-populations of PNA+ and PNA– cells from ascites of murine Nemeth-Kellner lymphoma. In another type of experiment, the particles were opsonized with proteins of the fetal calf serum that improved biocompatibility of the particles and their ingestion by cultivated murine macrophages J774.2. Macrophages loaded with the particles were effeciently separated from the particles free cells by using the magnet. Thus, the developed surface functionalized superparamagnetic particles showed to be a versatile tool for cell separation independent on the mode of particles’ binding with cell surface or their engulfment by the targeted cells.

Recent advances in the elucidation of enzymatic function in natural product biosynthesis [version 2; referees: 2 approved

Directory of Open Access Journals (Sweden)

Gao-Yi Tan

2016-02-01

Full Text Available With the successful production of artemisinic acid in yeast, the promising potential of synthetic biology for natural product biosynthesis is now being realized. The recent total biosynthesis of opioids in microbes is considered to be another landmark in this field. The importance and significance of enzymes in natural product biosynthetic pathways have been re-emphasized by these advancements. Therefore, the characterization and elucidation of enzymatic function in natural product biosynthesis are undoubtedly fundamental for the development of new drugs and the heterologous biosynthesis of active natural products. Here, discoveries regarding enzymatic function in natural product biosynthesis over the past year are briefly reviewed.

Recent advances in the elucidation of enzymatic function in natural product biosynthesis [version 1; referees: 2 approved

Directory of Open Access Journals (Sweden)

Tan Gao-Yi

2015-12-01

Full Text Available With the successful production of artemisinic acid in yeast, the promising potential of synthetic biology for natural product biosynthesis is now being realized. The recent total biosynthesis of opioids in microbes is considered to be another landmark in this field. The importance and significance of enzymes in natural product biosynthetic pathways have been re-emphasized by these advancements. Therefore, the characterization and elucidation of enzymatic function in natural product biosynthesis are undoubtedly fundamental for the development of new drugs and the heterologous biosynthesis of active natural products. Here, discoveries regarding enzymatic function in natural product biosynthesis over the past year are briefly reviewed.

Synthesis and Characterization of a Novel Microporous Dihydroxyl-Functionalized Triptycene-Diamine-Based Polyimide for Natural Gas Membrane Separation

KAUST Repository

Alaslai, Nasser Y.

2017-07-10

An intrinsically microporous polyimide is synthesized in m-cresol by a one-pot high-temperature condensation reaction of 4,4\\'-(hexafluoroisopropylidene)diphthalic anhydride (6FDA) and newly designed 2,6 (7)-dihydroxy-3,7(6)-diaminotriptycene (DAT1-OH). The 6FDA-DAT1-OH polyimide is thermally stable up to 440 °C, shows excellent solubility in polar solvents, and has moderately high Brunauer-Teller-Emmett (BET) surface area of 160 m2 g-1 , as determined by nitrogen adsorption at -196 °C. Hydroxyl functionalization applied to the rigid 3D triptycene-based diamine building block results in a polyimide that exhibits moderate pure-gas CO2 permeability of 70 Barrer combined with high CO2 /CH4 selectivity of 50. Mixed-gas permeation studies demonstrate excellent plasticization resistance of 6FDA-DAT1-OH with impressive performance as potential membrane material for natural gas sweetening with a CO2 permeability of 50 Barrer and CO2 /CH4 selectivity of 40 at a typical natural gas well partial pressure of 10 atm.

Aminopropyltriethoxysilane-mediated surface functionalization of hydroxyapatite nanoparticles: synthesis, characterization, and in vitro toxicity assay

Directory of Open Access Journals (Sweden)

Wang S

2011-12-01

Full Text Available Shige Wang1, Shihui Wen2, Mingwu Shen2, Rui Guo2, Xueyan Cao2, Jianhua Wang3, Xiangyang Shi1,2,41State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, 2College of Chemistry, Chemical Engineering and Biotechnology, Donghua University, 3Department of Biochemistry and Molecular Cell Biology, School of Medicine, Shanghai Jiao Tong University, Shanghai, People's Republic of China; 4Centro de Química da Madeira, Universidade da Madeira, Campus da Penteada, Funchal, PortugalBackground: We report on aminopropyltriethoxysilane (APTS-mediated surface modification of nanohydroxyapatite with different surface functional groups for potential biomedical applications. In this study, nanohydroxyapatite covalently linked with APTS (n-HA-APTS was reacted with acetic anhydride or succinic anhydride to produce neutralized (n-HA-APTS.Ac or negatively charged (n-HA-APTS.SAH nanohydroxyapatite, respectively. Nanohydroxyapatite formed with amine, acetyl, and carboxyl groups was extensively characterized using Fourier transform infrared spectroscopy, transmission electron microscopy, 1H nuclear magnetic resonance spectroscopy, X-ray diffraction, inductively coupled plasma-atomic emission spectroscopy, and zeta potential measurements.Results: In vitro 3-(4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide colorimetric assay revealed that the slight toxicity of the amine-functionalized n-HA-APTS could be eliminated by post-functionalization of APTS amines to form acetyl and carboxyl groups. Blood compatibility assessment demonstrated that the negligible hemolytic activity of the pristine nanohydroxyapatite particles did not appreciably change after APTS-mediated surface functionalization.Conclusion: APTS-mediated functionalization of nanohydroxyapatite with different surface groups may be useful for further functionalization of nanohydroxyapatite with biologically active materials, thereby providing possibilities for a broad range of

Near-surface fault detection by migrating back-scattered surface waves with and without velocity profiles

KAUST Repository

Yu, Han

2016-04-26

We demonstrate that diffraction stack migration can be used to discover the distribution of near-surface faults. The methodology is based on the assumption that near-surface faults generate detectable back-scattered surface waves from impinging surface waves. We first isolate the back-scattered surface waves by muting or FK filtering, and then migrate them by diffraction migration using the surface wave velocity as the migration velocity. Instead of summing events along trial quasi-hyperbolas, surface wave migration sums events along trial quasi-linear trajectories that correspond to the moveout of back-scattered surface waves. We have also proposed a natural migration method that utilizes the intrinsic traveltime property of the direct and the back-scattered waves at faults. For the synthetic data sets and the land data collected in Aqaba, where surface wave velocity has unexpected perturbations, we migrate the back-scattered surface waves with both predicted velocity profiles and natural Green\\'s function without velocity information. Because the latter approach avoids the need for an accurate velocity model in event summation, both the prestack and stacked migration images show competitive quality. Results with both synthetic data and field records validate the feasibility of this method. We believe applying this method to global or passive seismic data can open new opportunities in unveiling tectonic features.

Performance evaluation of functioning of natural-industrial system of mining-processing complex with help of analytical and mathematical models

Science.gov (United States)

Bosikov, I. I.; Klyuev, R. V.; Revazov, V. Ch; Pilieva, D. E.

2018-03-01

The article describes research and analysis of hazardous processes occurring in the natural-industrial system and effectiveness assessment of its functioning using mathematical models. Studies of the functioning regularities of the natural and industrial system are becoming increasingly relevant in connection with the formulation of the task of modernizing production and the economy of Russia as a whole. In connection with a significant amount of poorly structured data, it is complicated by regulations for the effective functioning of production processes, social and natural complexes, under which a sustainable development of the natural-industrial system of the mining and processing complex would be ensured. Therefore, the scientific and applied problems, the solution of which allows one to formalize the hidden structural functioning patterns of the natural-industrial system and to make managerial decisions of organizational and technological nature to improve the efficiency of the system, are very relevant.

Enhanced functional connectivity properties of human brains during in-situ nature experience

Directory of Open Access Journals (Sweden)

Zheng Chen

2016-07-01

Full Text Available In this study, we investigated the impacts of in-situ nature and urban exposure on human brain activities and their dynamics. We randomly assigned 32 healthy right-handed college students (mean age = 20.6 years, SD = 1.6; 16 males to a 20 min in-situ sitting exposure in either a nature (n = 16 or urban environment (n = 16 and measured their Electroencephalography (EEG signals. Analyses revealed that a brief in-situ restorative nature experience may induce more efficient and stronger brain connectivity with enhanced small-world properties compared with a stressful urban experience. The enhanced small-world properties were found to be correlated with “coherent” experience measured by Perceived Restorativeness Scale (PRS. Exposure to nature also induces stronger long-term correlated activity across different brain regions with a right lateralization. These findings may advance our understanding of the functional activities during in-situ environmental exposures and imply that a nature or nature-like environment may potentially benefit cognitive processes and mental well-being.