Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

Energy Technology Data Exchange (ETDEWEB)

Putra, Edy Giri Rachman [Neutron Scattering Laboratory, National Nuclear Energy Agency of Indonesia (BATAN), Gedung 40 BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Patriati, Arum [Neutron Scattering Laboratory, National Nuclear Energy Agency of Indonesia (BATAN), Gedung 40 BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Gadjah Mada, Bulaksumur, Yogyakarta 55281, Indonesia giri@batan.go.id (Indonesia)

2015-04-16

Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations.

Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

International Nuclear Information System (INIS)

Putra, Edy Giri Rachman; Patriati, Arum

2015-01-01

Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations

New techniques in lamellar keratoplasty.

Science.gov (United States)

Alio, Jorge L; Shah, Sunil; Barraquer, Carmen; Bilgihan, Kamil; Anwar, Mohammed; Melles, Gerrit R J

2002-08-01

In the past years, several lamellar keratoplasty surgical techniques have been developed, modified or improved in the past years, including microkeratome assisted anterior and posterior lamellar keratoplasty, anterior lamellar keratoplasty using air-dissection or visco-dissection, sutureless posterior lamellar keratoplasty, LASIK for postkeratoplasty astigmatism, and excimer laser assisted keratophakia for keratoconus or to manage complications after LASIK. These procedures may continue to gain interest as alternative procedures for a penetrating keratoplasty in the treatment of various corneal disorders.

Side chain and backbone contributions of Phe508 to CFTR folding

Energy Technology Data Exchange (ETDEWEB)

Thibodeau, Patrick H.; Brautigam, Chad A.; Machius, Mischa; Thomas, Philip J. (U. of Texas-SMED)

2010-12-07

Mutations in the cystic fibrosis transmembrane conductance regulator (CFTR), an integral membrane protein, cause cystic fibrosis (CF). The most common CF-causing mutant, deletion of Phe508, fails to properly fold. To elucidate the role Phe508 plays in the folding of CFTR, missense mutations at this position were generated. Only one missense mutation had a pronounced effect on the stability and folding of the isolated domain in vitro. In contrast, many substitutions, including those of charged and bulky residues, disrupted folding of full-length CFTR in cells. Structures of two mutant nucleotide-binding domains (NBDs) reveal only local alterations of the surface near position 508. These results suggest that the peptide backbone plays a role in the proper folding of the domain, whereas the side chain plays a role in defining a surface of NBD1 that potentially interacts with other domains during the maturation of intact CFTR.

Assessment of lamellar tearing

International Nuclear Information System (INIS)

McEnerney, J.W.

1978-03-01

Information on lamellar tearing is summarized and related to proposed ASME Code requirements. Lamellar tearing is characterized as a complex phenomenon related to poor short transverse ductility and through-thickness strain. The material, welding, and design variables that affect lamellar tearing are shown to be complex and interrelated. The commonly reported tests for assessing material susceptibility are described, with the controversy over their validity being carefully detailed. Although the use of a nondestructive test such as ultrasonic examination is most desirable, a widely applicable test method does not appear to be available. Of the destructive tests, the short transverse tensile reduction-of-area currently offers the most applicable means of assessing material susceptibility. However, because of the importance of matrix toughness, the short transverse Charpy V-notch test should be considered for use as an additional test if acceptance limits are developed. The ultrasonic detection of lamellar tears is susceptible to interpretation errors, which can make it overly conservative and lead to unnecessary repairs. The repair of tears is described as costly, difficult, and sometimes ineffective. Current design requirements appear to preclude any failures during static and fatigue service loads. However, without improvement of short transverse ductility, certain dynamic service loads could cause lamellar tearing failures. Two alternate design paths are recommended to prevent tearing during fabrication or service loading. The current and proposed ASME requirements dealing with lamellar tearing are reviewed and recommendations are made

Heterochiral Knottin Protein: Folding and Solution Structure.

Science.gov (United States)

Mong, Surin K; Cochran, Frank V; Yu, Hongtao; Graziano, Zachary; Lin, Yu-Shan; Cochran, Jennifer R; Pentelute, Bradley L

2017-10-31

Homochirality is a general feature of biological macromolecules, and Nature includes few examples of heterochiral proteins. Herein, we report on the design, chemical synthesis, and structural characterization of heterochiral proteins possessing loops of amino acids of chirality opposite to that of the rest of a protein scaffold. Using the protein Ecballium elaterium trypsin inhibitor II, we discover that selective β-alanine substitution favors the efficient folding of our heterochiral constructs. Solution nuclear magnetic resonance spectroscopy of one such heterochiral protein reveals a homogeneous global fold. Additionally, steered molecular dynamics simulation indicate β-alanine reduces the free energy required to fold the protein. We also find these heterochiral proteins to be more resistant to proteolysis than homochiral l-proteins. This work informs the design of heterochiral protein architectures containing stretches of both d- and l-amino acids.

First principles calculations of interstitial and lamellar rhenium nitrides

Energy Technology Data Exchange (ETDEWEB)

Soto, G., E-mail: gerardo@cnyn.unam.mx [Universidad Nacional Autonoma de Mexico, Centro de Nanociencias y Nanotecnologia, Km 107 Carretera Tijuana-Ensenada, Ensenada Baja California (Mexico); Tiznado, H.; Reyes, A.; Cruz, W. de la [Universidad Nacional Autonoma de Mexico, Centro de Nanociencias y Nanotecnologia, Km 107 Carretera Tijuana-Ensenada, Ensenada Baja California (Mexico)

2012-02-15

Highlights: Black-Right-Pointing-Pointer The possible structures of rhenium nitride as a function of composition are analyzed. Black-Right-Pointing-Pointer The alloying energy is favorable for rhenium nitride in lamellar arrangements. Black-Right-Pointing-Pointer The structures produced by magnetron sputtering are metastable variations. Black-Right-Pointing-Pointer The structures produced by high-pressure high-temperature are stable configurations. Black-Right-Pointing-Pointer The lamellar structures are a new category of interstitial dissolutions. - Abstract: We report here a systematic first principles study of two classes of variable-composition rhenium nitride: i, interstitial rhenium nitride as a solid solution and ii, rhenium nitride in lamellar structures. The compounds in class i are cubic and hexagonal close-packed rhenium phases, with nitrogen in the octahedral and tetrahedral interstices of the metal, and they are formed without changes to the structure, except for slight distortions of the unit cells. In the compounds in class ii, by contrast, the nitrogen inclusion provokes stacking faults in the parent metal structure. These faults create trigonal-prismatic sites where the nitrogen residence is energetically favored. This second class of compounds produces lamellar structures, where the nitrogen lamellas are inserted among multiple rhenium layers. The Re{sub 3}N and Re{sub 2}N phases produced recently by high-temperature and high-pressure synthesis belong to this class. The ratio of the nitrogen layers to the rhenium layers is given by the composition. While the first principle calculations point to higher stability for the lamellar structures as opposed to the interstitial phases, the experimental evidence presented here demonstrates that the interstitial classes are synthesizable by plasma methods. We conclude that rhenium nitrides possess polymorphism and that the two-dimensional lamellar structures might represent an emerging class of materials

First principles calculations of interstitial and lamellar rhenium nitrides

International Nuclear Information System (INIS)

Soto, G.; Tiznado, H.; Reyes, A.; Cruz, W. de la

2012-01-01

Highlights: ► The possible structures of rhenium nitride as a function of composition are analyzed. ► The alloying energy is favorable for rhenium nitride in lamellar arrangements. ► The structures produced by magnetron sputtering are metastable variations. ► The structures produced by high-pressure high-temperature are stable configurations. ► The lamellar structures are a new category of interstitial dissolutions. - Abstract: We report here a systematic first principles study of two classes of variable-composition rhenium nitride: i, interstitial rhenium nitride as a solid solution and ii, rhenium nitride in lamellar structures. The compounds in class i are cubic and hexagonal close-packed rhenium phases, with nitrogen in the octahedral and tetrahedral interstices of the metal, and they are formed without changes to the structure, except for slight distortions of the unit cells. In the compounds in class ii, by contrast, the nitrogen inclusion provokes stacking faults in the parent metal structure. These faults create trigonal-prismatic sites where the nitrogen residence is energetically favored. This second class of compounds produces lamellar structures, where the nitrogen lamellas are inserted among multiple rhenium layers. The Re 3 N and Re 2 N phases produced recently by high-temperature and high-pressure synthesis belong to this class. The ratio of the nitrogen layers to the rhenium layers is given by the composition. While the first principle calculations point to higher stability for the lamellar structures as opposed to the interstitial phases, the experimental evidence presented here demonstrates that the interstitial classes are synthesizable by plasma methods. We conclude that rhenium nitrides possess polymorphism and that the two-dimensional lamellar structures might represent an emerging class of materials within binary nitride chemistry.

Exact solution of the generalized Peierls equation for arbitrary n-fold screw dislocation

Science.gov (United States)

Wang, Shaofeng; Hu, Xiangsheng

2018-05-01

The exact solution of the generalized Peierls equation is presented and proved for arbitrary n-fold screw dislocation. The displacement field, stress field and the energy of the n-fold dislocation are also evaluated explicitly. It is found that the solution defined on each individual fold is given by the tail cut from the original Peierls solution. In viewpoint of energetics, a screw dislocation has a tendency to spread the distribution on all possible slip planes which are contained in the dislocation line zone. Based on the exact solution, the approximated solution of the improved Peierls equation is proposed for the modified γ-surface.

SANS study of polymer chains in confined space

International Nuclear Information System (INIS)

Hasegawa, Hirokazu; Tanaka, Hideaki; Hashimoto, Takeji; Han, C.C.

1993-01-01

The lateral and vertical components of the radius of gyration for a single block copolymer chain in the lamellar microdomain space formed by a mixture of diblock copolymers and homopolymers were investigated by means of small-angle neutron scattering (SANS), and the microdomain structures by small-angle X-ray scattering (SAXS). We used the homopolymers whose molecular weights are much smaller than that of the corresponding chains of the block copolymers so that the homopolymers are uniformly solubilized in the corresponding microdomains. The SANS result suggests that the block copolymer chains in the microdomain space are more compressed in the direction parallel to the interface and more stretched in the direction perpendicular to the interface than the corresponding unperturbed polymer chains with the same molecular weight. With increasing the volume fraction of the homopolymers the thickness of the lamellar microdomains increases. The block copolymer chains were found to undergo an isochoric affine deformation on addition of the homopolymers or with the change of the thickness of the lamellar microdomains. (author)

Recrystallization phenomena of solution grown paraffin dendrites

NARCIS (Netherlands)

Hollander, F.F.A.; Hollander, F.; Stasse, O.; van Suchtelen, J.; van Enckevort, W.J.P.

2001-01-01

Paraffin crystals were grown from decane solutions using a micro-Bridgman set up for in-situ observation of the morphology at the growth front. It is shown that for large imposed velocities, dendrites are obtained. After dendritic growth, aging or recrystallization processes set in rather quickly,

Falling chains

OpenAIRE

Wong, Chun Wa; Yasui, Kosuke

2005-01-01

The one-dimensional fall of a folded chain with one end suspended from a rigid support and a chain falling from a resting heap on a table is studied. Because their Lagrangians contain no explicit time dependence, the falling chains are conservative systems. Their equations of motion are shown to contain a term that enforces energy conservation when masses are transferred between subchains. We show that Cayley's 1857 energy nonconserving solution for a chain falling from a resting heap is inco...

Complications and Management of Deep Anterior Lamellar Keratoplasty

Directory of Open Access Journals (Sweden)

Banu Torun Acar

2014-10-01

Full Text Available Objectives: To report the intraoperative and postoperative follow-up complications and management of these in deep anterior lamellar keratoplasty (DALK surgery. Materials and Methods: Two hundred eighty-four eyes of 252 patients followed up in our cornea clinic who underwent DALK using Anwar’s big-bubble technique with healthy Descemet’s membrane and endothelium were included in this study. Intraoperative and postoperative complications as well as the management and treatment of these complications were evaluated. Results: Big bubble was created in 220 (77.5% eyes of 284 eyes, and lamellar dissection was performed in 64 (22.5% eyes. Perforation occurred during trephination in 4 eyes, and the procedure was accomplished by penetrating keratoplasty (PK. Intraoperative microperforation occurred in 44 eyes. Perforation enlarged in 4 eyes and PK was performed. Operation was continued in 40 eyes with air injection into the anterior chamber. In postopertive follow-up period, double anterior chamber (DAC occurred in 32 of 40 eyes. DAC spontaneously regressed in 8 eyes, and air was given into the anterior chamber with a second surgical intervention in 24 eyes. DAC improved in 20 eyes. Four eyes underwent PK. Fungal keratitis evolved at the interface in one eye, because of no healing during the follow-up period, this eye underwent PK under antifungal therapy. Eyes with interface haze and Descemet’s membrane folds were followed. Conclusion: DALK is a difficult technique with a steep learning curve. In addition to the complications seen in PK, specific complications can occur in lamellar surgery. (Turk J Ophthalmol 2014; 44: 337-40

Annealing behavior of solution grown polyethylene single crystals

NARCIS (Netherlands)

Loos, J.; Tian, M.

2006-01-01

The morphology evolution of solution grown polyethylene single crystals has been studied upon annealing below their melting temperature by using atomic force microscopy (AFM). AFM investigations have been performed ex situ, which means AFM investigations at room temperature after the annealing

Stochastic entangled chain dynamics of dense polymer solutions.

Science.gov (United States)

Kivotides, Demosthenes; Wilkin, S Louise; Theofanous, Theo G

2010-10-14

We propose an adjustable-parameter-free, entangled chain dynamics model of dense polymer solutions. The model includes the self-consistent dynamics of molecular chains and solvent by describing the former via coarse-grained polymer dynamics that incorporate hydrodynamic interaction effects, and the latter via the forced Stokes equation. Real chain elasticity is modeled via the inclusion of a Pincus regime in the polymer's force-extension curve. Excluded volume effects are taken into account via the combined action of coarse-grained intermolecular potentials and explicit geometric tracking of chain entanglements. We demonstrate that entanglements are responsible for a new (compared to phantom chain dynamics), slow relaxation mode whose characteristic time scale agrees very well with experiment. Similarly good agreement between theory and experiment is also obtained for the equilibrium chain size. We develop methods for the solution of the model in periodic flow domains and apply them to the computation of entangled polymer solutions in equilibrium. We show that the number of entanglements Π agrees well with the number of entanglements expected on the basis of tube theory, satisfactorily reproducing the latter's scaling of Π with the polymer volume fraction φ. Our model predicts diminishing chain size with concentration, thus vindicating Flory's suggestion of excluded volume effects screening in dense solutions. The predicted scaling of chain size with φ is consistent with the heuristic, Flory theory based value.

Mechanical properties of crossed-lamellar structures in biological shells: A review.

Science.gov (United States)

Li, X W; Ji, H M; Yang, W; Zhang, G P; Chen, D L

2017-10-01

The self-fabrication of materials in nature offers an alternate and powerful solution towards the grand challenge of designing advanced structural materials, where strength and toughness are always mutually exclusive. Crossed-lamellar structures are the most common microstructures in mollusks that are composed of aragonites and a small amount of organic materials. Such a distinctive composite structure has a fracture toughness being much higher than that of pure carbonate mineral. These structures exhibiting complex hierarchical microarchitectures that span several sub-level lamellae from microscale down to nanoscale, can be grouped into two types, i.e., platelet-like and fiber-like crossed-lamellar structures based on the shapes of basic building blocks. It has been demonstrated that these structures have a great potential to strengthen themselves during deformation. The observed underlying toughening mechanisms include microcracking, channel cracking, interlocking, uncracked-ligament bridging, aragonite fiber bridging, crack deflection and zig-zag, etc., which play vital roles in enhancing the fracture resistance of shells with the crossed-lamellar structures. The exploration and utilization of these important toughening mechanisms have attracted keen interests of materials scientists since they pave the way for the development of bio-inspired advanced composite materials for load-bearing structural applications. This article is aimed to review the characteristics of hierarchical structures and the mechanical properties of two kinds of crossed-lamellar structures, and further summarize the latest advances and biomimetic applications based on the unique crossed-lamellar structures. Copyright © 2017 Elsevier Ltd. All rights reserved.

Cation-induced folding of alginate-bearing bilayer gels: an unusual example of spontaneous folding along the long axis.

Science.gov (United States)

Athas, Jasmin C; Nguyen, Catherine P; Kummar, Shailaa; Raghavan, Srinivasa R

2018-04-04

The spontaneous folding of flat gel films into tubes is an interesting example of self-assembly. Typically, a rectangular film folds along its short axis when forming a tube; folding along the long axis has been seen only in rare instances when the film is constrained. Here, we report a case where the same free-swelling gel film folds along either its long or short axis depending on the concentration of a solute. Our gels are sandwiches (bilayers) of two layers: a passive layer of cross-linked N,N'-dimethylyacrylamide (DMAA) and an active layer of cross-linked DMAA that also contains chains of the biopolymer alginate. Multivalent cations like Ca2+ and Cu2+ induce these bilayer gels to fold into tubes. The folding occurs instantly when a flat film of the gel is introduced into a solution of these cations. The likely cause for folding is that the active layer stiffens and shrinks (because the alginate chains in it get cross-linked by the cations) whereas the passive layer is unaffected. The resulting mismatch in swelling degree between the two layers creates internal stresses that drive folding. Cations that are incapable of cross-linking alginate, such as Na+ and Mg2+, do not induce gel folding. Moreover, the striking aspect is the direction of folding. When the Ca2+ concentration is high (100 mM or higher), the gels fold along their long axis, whereas when the Ca2+ concentration is low (40 to 80 mM), the gels fold along their short axis. We hypothesize that the folding axis is dictated by the inhomogeneous nature of alginate-cation cross-linking, i.e., that the edges get cross-linked before the faces of the gel. At high Ca2+ concentration, the stiffer edges constrain the folding; in turn, the gel folds such that the longer edges are deformed less, which explains the folding along the long axis. At low Ca2+ concentration, the edges and the faces of the gel are more similar in their degree of cross-linking; therefore, the gel folds along its short axis. An analogy

The Financial Supply Chain Management: a New Solution for Supply Chain Resilience

Directory of Open Access Journals (Sweden)

Virgil Popa

2013-02-01

Full Text Available In the present article, the author aims to find solutions to optimize the supply chain for the cash flow – a flow of products reversed from the physical one and the two-ways flow of information. In the last 15-20 years, academics and practitioners were oriented towards increasing the speed, cost reduction on supply chain material’s flow, oriented towards 3RP (3 Resource Planning logistics solutions and management solutions such as outsourcing or collaborative management. In terms of information flow, there has been a real revolution with the rise of the Internet and information technology standards introduced by the VICS (Voluntary Interindustry Commerce Standards, CSCMP (Council of Supply Chain Management Professionals, SCC (Supply Chain Council şi ECR Europe (Efficient Consumer Respons. The objective of this paper is to identify new ways of working together on supply chain financial flows. Methods used are the documentation in the literature and the practices of transnational companies under recession. Results refer to the identification of new solutions such as reverse factoring. A comparative analysis regarding the european and national regulations gets us to the conclusion that Romania is still tributary to traditional commercial credit. We propose that the Collaborative management, as a modus vivendi in a globalized and super computerized world, must be included within all Romanian organizations life, within the Supply Chain, but also those which are 3PL (Third Part Logistics and 4PL (Four Part Logistics organizations, where not only information services are included, but also financial services (banks and specialized financial institutions.

Amylose folding under the influence of lipids

NARCIS (Netherlands)

Lopez, Cesar A.; de Vries, Alex H.; Marrink, Siewert J.

2012-01-01

The molecular dynamics simulation technique was used to study the folding and complexation process of a short amylose fragment in the presence of lipids. In aqueous solution, the amylose chain remains as an extended left-handed helix. After the addition of lipids in the system, however, we observe

Structural perfection of directionally solidified lamellar eutectics

International Nuclear Information System (INIS)

Attallah, T.; Gurzleski, J.E.

1976-01-01

The mechanisms for the formation of faults in lamellar eutectics are reviewed, and it is postulated that faults play several roles in eutectic freezing with their exact importance depending on the specific alloy system and the growth conditions. Faults are not the cause of lamellar spiralling although they are necessary for it to occur. Lamellar spiralling is found to occur only when the crystallographic orientations of the two eutectic phases lead to a growth component normal to the lamellar plane, and although some systems such as Pb-Sn normally spiral it is possible for them to achieve orientation relationships where no spiralling occurs

Improving cold chain systems: Challenges and solutions.

Science.gov (United States)

Ashok, Ashvin; Brison, Michael; LeTallec, Yann

2017-04-19

While a number of new vaccines have been rolled out across the developing world (with more vaccines in the pipeline), cold chain systems are struggling to efficiently support national immunization programs in ensuring the availability of safe and potent vaccines. This article reflects on the Clinton Health Access Initiative, Inc. (CHAI) experience working since 2010 with national immunization programs and partners to improve vaccines cold chains in 10 countries-Ethiopia, Nigeria, Kenya, Malawi, Tanzania, Uganda, Cameroon, Mozambique, Lesotho and India - to identify the root causes and solutions for three common issues limiting cold chain performance. Key recommendations include: Collectively, the solutions detailed in this article chart a path to substantially improving the performance of the cold chain. Combined with an enabling global and in-country environment, it is possible to eliminate cold chain issues as a substantial barrier to effective and full immunization coverage over the next few years. Copyright © 2017. Published by Elsevier Ltd.

How to fold a spin chain: Integrable boundaries of the Heisenberg XXX and Inozemtsev hyperbolic models

Science.gov (United States)

De La Rosa Gomez, Alejandro; MacKay, Niall; Regelskis, Vidas

2017-04-01

We present a general method of folding an integrable spin chain, defined on a line, to obtain an integrable open spin chain, defined on a half-line. We illustrate our method through two fundamental models with sl2 Lie algebra symmetry: the Heisenberg XXX and the Inozemtsev hyperbolic spin chains. We obtain new long-range boundary Hamiltonians and demonstrate that they exhibit Yangian symmetries, thus ensuring integrability of the models we obtain. The method presented provides a ;bottom-up; approach for constructing integrable boundaries and can be applied to any spin chain model.

Evaluation of Microemulsion and Lamellar Liquid Crystalline Systems for Transdermal Zidovudine Delivery.

Science.gov (United States)

Carvalho, André Luis Menezes; Silva, José Alexsandro da; Lira, Ana Amélia Moreira; Conceição, Tamara Matos Freire; Nunes, Rogéria de Souza; de Albuquerque Junior, Ricardo Luiz Cavalcanti; Sarmento, Victor Hugo Vitorino; Leal, Leila Bastos; de Santana, Davi Pereira

2016-07-01

This study proposed to investigate and to compare colloidal carrier systems containing Zidovudine (3'-azido-3'-deoxythymidine) (AZT) for transdermal administration and optimization of antiretroviral therapy. Microemulsion (ME) and lamellar phase (LP) liquid crystal were obtained and selected from pseudoternary diagrams previously developed. Small-angle X-ray scattering and rheology analysis confirmed the presence of typical ME and liquid crystalline structures with lamellar arrangement, respectively. Both colloidal carrier systems, ME, and LP remained stable, homogeneous, and isotropic after AZT addition. In vitro permeation study (using pig ear skin) showed that the amount of permeated drug was higher for ME compared to the control and LP, obtaining a permeation enhancing effect on the order of approximately 2-fold (p drug permeation without causing apparent skin irritation. On the order hand, LP functioned as a drug reservoir reducing AZT partitioning into the skin. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Oligosaccharides and glycolipids addition in charged lamellar phases; Addition d`oligosaccharides et de glycolipides dans des phases lamellaires chargees

Energy Technology Data Exchange (ETDEWEB)

Ricoul, F

1997-09-26

The aim of this work is to study the addition of oligosaccharides and glycolipids in lamellar phases of the cationic surfactant DDAB (di-dodecyl-dimethyl-ammonium bromide). Two steps have been followed: the determination of phases prisms and the thermodynamic interpretation in terms of molecular interactions. In order to characterize these systems, two new experimental small angle scattering methods have been perfected: 1) a neutron scattering contrast variation method which allows to study the adsorption of aqueous solution in bilayers and 2) a capillary concentration gradient method to establish directly and quantitatively the phases diagrams of ternary systems by X rays scattering. It has been pointed out that the oligosaccharides induce a depletion attractive force on the lamellar-lamellar equilibrium of the DDAB when they are excluded of the most concentrated phase. For the two studied glycolipids: 2-O lauroyl-saccharose and N-lauroyl N-nonyl lactitol, the ternary phase diagrams water-DDAB-glycolipid have been established in terms of temperature. Critical points at ambient temperature have been given. The osmotic pressure in concentrated lamellar phases has been measured. It has been shown that glycolipids increase the hydration repulsion at short distance and that the electrostatic repulsion is outstanding and unchanged at high distance if there is at less 1 mole percent of ionic surfactant. In a dilute solution, glycolipids decrease the maximum swelling of lamellar phases, with a competition between the lamellar phase and the micellae dilute phase for water. (O.M.). 165 refs.

Updating the lamellar hypothesis of hippocampal organization

Directory of Open Access Journals (Sweden)

Robert S Sloviter

2012-12-01

Full Text Available In 1971, Andersen and colleagues proposed that excitatory activity in the entorhinal cortex propagates topographically to the dentate gyrus, and on through a trisynaptic circuit lying within transverse hippocampal slices or lamellae [Andersen, Bliss, and Skrede. 1971. Lamellar organization of hippocampal pathways. Exp Brain Res 13, 222-238]. In this way, a relatively simple structure might mediate complex functions in a manner analogous to the way independent piano keys can produce a nearly infinite variety of unique outputs. The lamellar hypothesis derives primary support from the lamellar distribution of dentate granule cell axons (the mossy fibers, which innervate dentate hilar neurons and area CA3 pyramidal cells and interneurons within the confines of a thin transverse hippocampal segment. Following the initial formulation of the lamellar hypothesis, anatomical studies revealed that unlike granule cells, hilar mossy cells, CA3 pyramidal cells, and Layer II entorhinal cells all form axonal projections that are more divergent along the longitudinal axis than the clearly lamellar mossy fiber pathway. The existence of pathways with translamellar distribution patterns has been interpreted, incorrectly in our view, as justifying outright rejection of the lamellar hypothesis [Amaral and Witter. 1989. The three-dimensional organization of the hippocampal formation: a review of anatomical data. Neuroscience 31, 571-591]. We suggest that the functional implications of longitudinally-projecting axons depend not on whether they exist, but on what they do. The observation that focal granule cell layer discharges normally inhibit, rather than excite, distant granule cells suggests that longitudinal axons in the dentate gyrus may mediate "lateral" inhibition and define lamellar function, rather than undermine it. In this review, we attempt a reconsideration of the evidence that most directly impacts the physiological concept of hippocampal lamellar

Supply chain configuration concepts, solutions, and applications

CERN Document Server

Chandra, Charu

2016-01-01

This book discusses the models and tools available for solving configuration problems, emphasizes the value of model integration to obtain comprehensive and robust configuration decisions, proposes solutions for supply chain configuration in the presence of stochastic and dynamic factors, and illustrates application of the techniques discussed in applied studies. It is divided into four parts, which are devoted to defining the supply chain configuration problem and identifying key issues, describing solutions to various problems identified, proposing technologies for enabling supply chain confirmations, and discussing applied supply chain configuration problems. Its distinguishing features are: an explicit focus on the configuration problem an in-depth coverage of configuration models an emphasis on model integration and application of information modeling techniques in decision-making New to this edition is Part II: Technologies, which introduces readers to various technologies being utilized for supply chai...

Entanglement in correlated random spin chains, RNA folding and kinetic roughening

International Nuclear Information System (INIS)

Rodríguez-Laguna, Javier; Santalla, Silvia N; Ramírez, Giovanni; Sierra, Germán

2016-01-01

Average block entanglement in the 1D XX-model with uncorrelated random couplings is known to grow as the logarithm of the block size, in similarity to conformal systems. In this work we study random spin chains whose couplings present long range correlations, generated as gaussian fields with a power-law spectral function. Ground states are always planar valence bond states, and their statistical ensembles are characterized in terms of their block entropy and their bond-length distribution, which follow power-laws. We conjecture the existence of a critical value for the spectral exponent, below which the system behavior is identical to the case of uncorrelated couplings. Above that critical value, the entanglement entropy violates the area law and grows as a power law of the block size, with an exponent which increases from zero to one. Interestingly, we show that XXZ models with positive anisotropy present the opposite behavior, and strong correlations in the couplings lead to lower entropies. Similar planar bond structures are also found in statistical models of RNA folding and kinetic roughening, and we trace an analogy between them and quantum valence bond states. Using an inverse renormalization procedure we determine the optimal spin-chain couplings which give rise to a given planar bond structure, and study the statistical properties of the couplings whose bond structures mimic those found in RNA folding. (paper)

Self-consistent theory of steady-state lamellar solidification in binary eutectic systems

International Nuclear Information System (INIS)

Nash, G.E.; Glicksman, M.E.

1976-01-01

The potential theoretic methods developed recently at NRL for solving the diffusion equation are applied to the free-boundary problem describing lamellar eutectic solidification. Using these techniques, the original boundary value problem is reduced to a set of coupled integro-differential equations for the shape of the solid/liquid interface and various quantities defined on the interface. The behavior of the solutions is discussed in a qualitative fashion, leading to some interesting inferences regarding the nature of the eutectic solidification process. Using the information obtained from the analysis referred to above, an approximate theory of the lamellar-rod transition is formulated. The predictions of the theory are shown to be in qualitative agreement with experimental observations of this transition. In addition, a simplified version of the general integro-differential equations is developed and is used to assess the effect of interface curvature on the interfacial solute concentrations, and to check the new theory for consistency with experiment

Two types of lamellar phase in TTAB/water/pentanol system as detected by positron lifetime spectroscopy

International Nuclear Information System (INIS)

Khani, P.H.; Yadav, R.; Singh, K.C.; Jain, P.C.

2004-01-01

Positron lifetime measurements were performed in TTAB(Tetradecyl trimethyl ammonium bromide)/water/pentanol ternary systems prepared by adding varying amounts of pentanol to different mother solutions of TTAB/water system having fixed TTAB concentrations. Besides delineating various phase boundaries as obtained by other conventional techniques, positron annihilation parameters were also found to be sensitive in detecting two kinds of lamellar structures in the otherwise considered to be a single liquid crystalline D phase of the system. The existence of such lamellar structures has been demonstrated by a change in the trend of o-Ps lifetime parameter when the system passes from one type of lamellar structure to the other type. The results of such a finding are presented in this paper. (orig.)

Spontaneous subconjunctival abscess in congenital lamellar ichthyosis

Directory of Open Access Journals (Sweden)

Shivanand C Bubanale

2018-01-01

Full Text Available Congenital lamellar ichthyosis is an autosomal recessive, heterogeneous disorder presenting at birth with generalized skin involvement. The most common ophthalmic manifestation noted is bilateral ectropion of the lower eyelids. A 1-month-old female neonate, the second born of a nonconsanguineous marriage, presented with 4 days' history of redness, discharge, and swelling in the right eye. There was severe right upper eyelid ectropion, conjunctival injection, chemosis, a subconjunctival mass on the temporal bulbar conjunctiva spontaneously draining pus and corneal haze. The anterior chamber, iris, lens and fundus appeared normal. Congenital lamellar ichthyosis was suspected because of scaling and excessive dryness of the entire body. The occurrence of a spontaneous subconjunctival abscess is not known in lamellar ichthyosis. We thus report the management of a rare case of unilateral upper eyelid ectropion, subconjunctival abscess with orbital cellulitis in congenital lamellar ichthyosis.

The Role of Short-Chain Conjugated Poly-(R-3-Hydroxybutyrate (cPHB in Protein Folding

Directory of Open Access Journals (Sweden)

Rosetta N. Reusch

2013-05-01

Full Text Available Poly-(R-3-hydroxybutyrate (PHB, a linear polymer of R-3-hydroxybutyrate (R-3HB, is a fundamental constituent of biological cells. Certain prokaryotes accumulate PHB of very high molecular weight (10,000 to >1,000,000 residues, which is segregated within granular deposits in the cytoplasm; however, all prokaryotes and all eukaryotes synthesize PHB of medium-chain length (~100–200 residues which resides within lipid bilayers or lipid vesicles, and PHB of short-chain length (<12 residues which is conjugated to proteins (cPHB, primarily proteins in membranes and organelles. The physical properties of cPHB indicate it plays important roles in the targeting and folding of cPHB-proteins. Here we review the occurrence, physical properties and molecular characteristics of cPHB, and discuss its influence on the folding and structure of outer membrane protein A (OmpA of Escherichia coli.

Introduction to the numerical solutions of Markov chains

CERN Document Server

Stewart, Williams J

1994-01-01

A cornerstone of applied probability, Markov chains can be used to help model how plants grow, chemicals react, and atoms diffuse - and applications are increasingly being found in such areas as engineering, computer science, economics, and education. To apply the techniques to real problems, however, it is necessary to understand how Markov chains can be solved numerically. In this book, the first to offer a systematic and detailed treatment of the numerical solution of Markov chains, William Stewart provides scientists on many levels with the power to put this theory to use in the actual world, where it has applications in areas as diverse as engineering, economics, and education. His efforts make for essential reading in a rapidly growing field. Here, Stewart explores all aspects of numerically computing solutions of Markov chains, especially when the state is huge. He provides extensive background to both discrete-time and continuous-time Markov chains and examines many different numerical computing metho...

Distributions of chain ends and junction points in ordered block copolymers

International Nuclear Information System (INIS)

Mayes, A.M.; Johnson, R.D.; Russell, T.P.; Smith, S.D.; Satija, S.K.; Majkrzak, C.F.

1993-01-01

Chain configurations in ordered symmetric poly(styrene-b-methyl methacrylate) diblock copolymers were examined by neutron reflectively. In a thin-film geometry the copolymers organize into lamellar microdomains oriented parallel to the substrate surface. The copolymers organize into lamellar microdomains oriented parallel to the substrate surface. The copolymers were synthesized with small fractions of deuterated segments at either the chain ends or centers. This selective labeling permitted characterization of the spatial distribution of chain ends and junction points normal to the plane of the film. From the reflectivity analysis, the junction points are found to be confined to the PS/PMMA interfacial regions. The chain ends, however, are well distributed through their respective domains, exhibiting only a weak maximum in concentration at the center of the domains

Understanding the defect structure of solution grown zinc oxide

Energy Technology Data Exchange (ETDEWEB)

Liew, Laura-Lynn [Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A-STAR), 3 Research Link, Singapore 117602 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, Block N4.1 Nanyang Avenue, Singapore 639798 (Singapore); Sankar, Gopinathan, E-mail: g.sankar@ucl.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Handoko, Albertus D. [Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A-STAR), 3 Research Link, Singapore 117602 (Singapore); Goh, Gregory K.L., E-mail: g-goh@imre.a-star.edu.sg [Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A-STAR), 3 Research Link, Singapore 117602 (Singapore); School of Materials Science and Engineering, Nanyang Technological University, Block N4.1 Nanyang Avenue, Singapore 639798 (Singapore); Kohara, Shinji [Japan Synchrotron Radiation Research Institute (JASRI), Mikazuki, Sayo, Hyogo 679-5198 (Japan)

2012-05-15

Zinc oxide (ZnO) is a wide bandgap semiconducting oxide with many potential applications in various optoelectronic devices such as light emitting diodes (LEDs) and field effect transistors (FETs). Much effort has been made to understand the ZnO structure and its defects. However, one major issue in determining whether it is Zn or O deficiency that provides ZnO its unique properties remains. X-ray absorption spectroscopy (XAS) is an ideal, atom specific characterization technique that is able to probe defect structure in many materials, including ZnO. In this paper, comparative studies of bulk and aqueous solution grown ({<=}90 Degree-Sign C) ZnO powders using XAS and x-ray pair distribution function (XPDF) techniques are described. The XAS Zn-Zn correlation and XPDF results undoubtedly point out that the solution grown ZnO contains Zn deficiency, rather than the O deficiency that were commonly reported. This understanding of ZnO short range order and structure will be invaluable for further development of solid state lighting and other optoelectronic device applications. - Graphical abstract: Highlights: Black-Right-Pointing-Pointer ZnO powders have been synthesized through an aqueous solution method. Black-Right-Pointing-Pointer Defect structure studied using XAS and XPDF. Black-Right-Pointing-Pointer Zn-Zn correlations are less in the ZnO powders synthesized in solution than bulk. Black-Right-Pointing-Pointer Zn vacancies are present in the powders synthesized. Black-Right-Pointing-Pointer EXAFS and XPDF, when used complementary, are useful characterization techniques.

Scattering Study of Conductive-Dielectric Nano/Micro-Grained Single Crystals Based on Poly(ethylene glycol, Poly(3-hexyl thiophene and Polyaniline

Directory of Open Access Journals (Sweden)

Samira Agbolaghi

2017-12-01

Full Text Available Two types of rod-coil block copolymers including poly(3-hexylthiophene-block-poly(ethylene glycol (P3HT-b-PEG and PEG-block-polyaniline (PANI were synthesized using Grignard metathesis polymerization, Suzuki coupling, and interfacial polymerization. Afterward, two types of single crystals were grown by self-seeding methodology to investigate the coily and rod blocks in grafted brushes and ordered crystalline configurations. The conductive P3HT fibrillar single crystals covered by the dielectric coily PEG oligomers were grown from toluene, xylene, and anisole, and characterized by atomic force microscopy (AFM and grazing wide angle X-ray scattering (GIWAXS. Longer P3HT backbones resulted in folding, whereas shorter ones had a high tendency towards backbone lamination. The effective factors on folding of long P3HT backbones in the single crystal structures were the solvent quality and crystallization temperature. Better solvents due to decelerating the growth condition led to a higher number of foldings. Via increasing the crystallization temperature, the system decreased the folding number to maintain its stability. Poorer solvents also reflected a higher stacking in hexyl side chain and π-π stacking directions. The dielectric lamellar PEG single crystals sandwiched between the PANI nanorods were grown from amyl acetate, and analyzed using the interface distribution function (IDF of SAXS and AFM. The molecular weights of PANI and PEG blocks and crystallization temperature were focused while studying the grown single crystals.

Adsorption of dimeric surfactants in lamellar silicates

Energy Technology Data Exchange (ETDEWEB)

Balcerzak, Mateusz; Pietralik, Zuzanna [Department of Macromolecular Physics, Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Domka, Ludwik [Department of Metalorganic Chemistry, Faculty of Chemistry, A. Mickiewicz University, Grunwaldzka 6, 60-780 Poznań (Poland); Skrzypczak, Andrzej [Institute of Chemical Technology, Poznań University of Technology, Berdychowo 4, 60-965 Poznań (Poland); Kozak, Maciej, E-mail: mkozak@amu.edu.pl [Department of Macromolecular Physics, Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland)

2015-12-01

Highlights: • The intercalation of dimeric surfactants changed the morphology of MMT samples. • XRD indicated structures formed by surfactant molecules in interlayer space. • The four-step thermal decomposition of dimeric surfactant, confirms intercalation. - Abstract: The adsorption of different types of cationic surfactants in lamellar silicates changes their surface character from hydrophilic to hydrophobic. This study was undertaken to obtain lamellar silicates modified by a series of novel dimeric (gemini) surfactants of different length alkyl chains and to characterise these organophilised materials. Synthetic sodium montmorillonite SOMASIF® ME 100 (M) and enriched bentonite of natural origin (Nanoclay – hydrophilic bentonite®) were organophilised with dimeric (gemini) surfactants (1,1′-(1,4-butanediyl)bis(alkoxymethyl)imidazolium dichlorides). As a result of surfactant molecule adsorption in interlamellar space, the d-spacing (d{sub 001}) increased from 0.97 nm (for the anhydrous structure) to 2.04 nm. A Fourier transform infrared spectroscopy (FTIR) analysis of the modified systems reveals bands assigned to the stretching vibrations of the CH{sub 2} and CH{sub 3} groups and the scissoring vibrations of the NH group from the structure of the dimeric surfactants. Thermogravimetric (TG) and derivative thermogravimetric (DTG) studies imply a four-stage process of surfactant decomposition. Scanning electron microscopy (SEM) images provide information on the influence of dimeric surfactant intercalation into the silicate structures. Particles of the modified systems show a tendency toward the formation of irregularly shaped agglomerates.

Folded three-spin string solutions in AdS5 x S5

International Nuclear Information System (INIS)

Ryang Shijong

2004-01-01

We construct a spinning closed string solution in AdS 5 x S 5 which is folded in the radial direction and has two equal spins in AdS 5 and a spin in S 5 . The energy expression of the three-spin solution specified by the folding and winding numbers for the small S 5 spin shows a logarithmic behavior and a one-third power behavior of the large total AdS 5 spin, in the long string and in the short string located near the boundary of AdS 5 respectively. It exhibits the non-regular expansion in the 't Hooft coupling constant, while it takes the regular one when the S 5 spin becomes large. (author)

Lamellar γ-AlOOH architectures: Synthesis and application for the removal of HCN

International Nuclear Information System (INIS)

Hou Hongwei; Zhu You; Tang Gangling; Hu Qingyuan

2012-01-01

Using hexadecyl trimethyl ammonium bromide (CTAB) as a structure-directing agent and precipitator, the complete synthesis of lamellar γ-AlOOH architectures was successfully accomplished via a hydrothermal route. Different product structures were obtained by varying the molar ratio of aluminum nitrate and CTAB. Several techniques, including X-ray powder diffraction, Fourier transform infrared spectroscopy, field-emission scanning electron microscopy, transmission electron microscopy, and differential scanning calorimetry thermal analysis, were used to characterize the products. The effects of CTAB concentration, reaction temperature and time, and the molar ratio of Al 3+ /CTAB on the product morphologies were investigated. The nitrogen adsorption and desorption measurements indicated that the γ-AlOOH architectures possess a Brunauer–Emmett–Teller surface area of approximately 75.02 m 2 /g. It was also demonstrated that 10 mg γ-AlOOH architectures can remove 45.3% of the HCN (1.68 μg/mL) from model wastewater. When 0.03 mg/cig γ-AlOOH architectures were combined with cigarette paper, 8.12% of the present HCN was adsorbed. These results indicate that lamellar γ-AlOOH architectures may be a potential adsorbent for removing HCN from highly toxic pollutant solutions and harmful cigarette smoke. Highlights: ► Hexadecyl trimethyl ammonium bromide (CTAB) was used as a structure-directing agent and precipitator. ► Hydrothermal treatment enables growth of lamellar γ-AlOOH architectures. ► Lamellar γ-AlOOH architectures were demonstrated to exhibit high BET surface area and excellent adsorptive capacity. ► HCN in contaminated water and cigarette smoke can be effectively removed by the prepared lamellar γ-AlOOH superstructures.

Hybrid Technique of Lamellar Keratoplasty (DMEK-S

Directory of Open Access Journals (Sweden)

Pavel Studeny

2013-01-01

Full Text Available Purpose: To evaluate the outcomes of the hybrid technique of posterior lamellar keratoplasty (DMEK-S. Materials and Methods: 71 eyes of 55 patients enrolled in a single-center study underwent posterior lamellar keratoplasty with a hybrid lamella DMEK-S implanted using a solution implantation technique, owing to endothelial dysfunction. The outcome measures studied were visual acuity and endothelial cell density. Results: The rate of endothelial cell loss caused by surgery was 43.8%. During followups, we observed the stabilization of postoperative findings, or at minimum a very low rate of corneal endothelial cell loss. The UCDVA and BCDVA dramatically improved postoperatively. The rebubbling rate in our group of patients was 61.9%. We replaced the lamella due to its failure or malfunction in 17 patients (23.9%. Conclusion: In summary, DMEK-S combines the advantages of DSEK/DSAEK and DMEK. The central zone of bare Descemet’s membrane and endothelium allows for very good visual outcomes, and the peripheral rim allows for better manipulation of the lamella during implantation. It is an effective method of treating the endothelial dysfunction of various etiologies, but the high complication rate needs to be addressed before widespread implementation of the technique in the future.

Preparation of textural lamellar tin deposits via electrodeposition

Science.gov (United States)

Wen, Xiaoyu; Pan, Xiaona; Wu, Libin; Li, Ruinan; Wang, Dan; Zhang, Jinqiu; Yang, Peixia

2017-06-01

Lamellar tin deposits were prepared by galvanostatical electroplating from the aqueous acidic-sulfate bath, with gelatin and benzalacetone dissolved in ethanol (ABA+EtOH) as additive, and their morphologies were investigated by scanning electron microscopy. Cathodic polarization curves revealed that the absorbability of ABA+EtOH on the cathode surface was higher than that of gelatin. X-ray diffraction analysis indicated preferred orientations of tin growth led to the formation of lamellar structure and distortion of tin lattice. The growth mechanism of lamellar tin was also discussed.

Congenital lamellar ichthyosis, a case report.

OpenAIRE

Joaquín Saavedra D.; María José Sierralta S.; Cristian Saavedra D; Vanesa Rivera C; Francisco Cerda C.

2014-01-01

ABSTRACT INTRODUCTION: Lamellar Ichthyosis is a rare skin diseases belonging to the Group of the so-called genodermatoses. It is a form of congenital ichthyosis evident at birth. CASE REPORT: Male neonate, born at 36 weeks of gestation via cesarian section, appropriate for gestational age and Apgar Score 8. Nonconsanguineous parents. Affected brother with Ichthyosis lamellar. Is hospitalized in the Neonatal Intermediary Care Unit of the Hospital of San Fernando due to ...

Explicit solutions for exit-only radioactive decay chains

International Nuclear Information System (INIS)

Yuan, Ding; Kernan, Warnick

2007-01-01

In this study, we extended Bateman's [Proc. Cambridge Philos. Soc. 15, 423 (1910)] original work for solving radioactive decay chains and explicitly derived analytic solutions for generic exit-only radioactive decay problems under given initial conditions. Instead of using the conventional Laplace transform for solving Bateman's equations, we used a much simpler algebraic approach. Finally, we discuss methods of breaking down certain classes of large decay chains into collections of simpler chains for easy handling

Phase-field-lattice Boltzmann study for lamellar eutectic growth in a natural convection melt

Directory of Open Access Journals (Sweden)

Ang Zhang

2017-11-01

Full Text Available In the present study, the influence of natural convection on the lamellar eutectic growth is determined by a phase-field-lattice Boltzmann study for Al-Cu eutectic alloy. The mass difference resulting from concentration difference led to the fluid flow, and a robust parallel and adaptive mesh refinement algorithm was employed to improve the computational efficiency without any compromising accuracy. Results show that the existence of natural convection would affect the growth undercooling and thus control the interface shape by adjusting the lamellar width. In particular, by alternating the magnitude of the solute expansion coefficient, the strength of the natural convection is changed. Corresponding microstructure patterns are discussed and compared with those under no-convection conditions.

[Indications and surgical approach for lamellar macular holes and pseudoholes].

Science.gov (United States)

Haritoglou, C; Schumann, R G

2017-12-01

This article presents a discussion on the indications for surgical interventions of lamellar macular holes and pseudoholes. What are the criteria for deciding on the surgical intervention for lamellar macular holes and pseudoholes? The article is based on a literature search in PubMed RESULTS: Lamellar macular holes and pseudoholes are subdivided into degenerative and tractive alterations. Both entities are associated with relatively specific morphological and functional criteria, which correlate with the expected functional and morphological results of the surgical intervention. Patients with pseudoholes therefore profit more from a surgical intervention because alterations to the outer retina are less pronounced in these cases. The indications for surgery of lamellar macular holes and pseudoholes are established by the type of lamellar defect and the morphological and functional alterations associated with this condition.

CuInS[sub 2] with lamellar morphology; 2: Photoelectrochemical behavior of heterogeneous material

Energy Technology Data Exchange (ETDEWEB)

Cattarin, S. (Inst. di Polarografia ed Elettrochimica Preparativa del C.N.R., Padova (Italy)); Guerriero, P. (Inst. di Chimica e Tecnologie Inorganiche e dei Materiali Avanzati del C.N.R., Padova (Italy)); Razzini, G. (Applicata del Politecnico di Milano (Italy). Dipt. di Chimica Fisica); Lewerenz, H.J. (Hahn-Meitner-Inst., Berlin (Germany))

1994-05-01

Lamellar CuInS[sub 2] material grown in a steep temperature gradient shows heterogeneous composition and complex photoeffects. Besides predominant n-type behavior, the electrode surface has areas with intrinsic or p-type conductivity, the latter usually corresponding to indium-rich regions. An inverted (cathodic) photocurrent is observed at n-type electrodes polarized under accumulation conditions. Both spectral dependence, with a pronounced peak for energies around the bandgap, and quantum yields > 1 suggest that these photoeffects originate from photoconductivity phenomena in the crystal bulk. Variability in electronic properties limits the average performance of the material in solar cells.

Exact error estimation for solutions of nuclide chain equations

International Nuclear Information System (INIS)

Tachihara, Hidekazu; Sekimoto, Hiroshi

1999-01-01

The exact solution of nuclide chain equations within arbitrary figures is obtained for a linear chain by employing the Bateman method in the multiple-precision arithmetic. The exact error estimation of major calculation methods for a nuclide chain equation is done by using this exact solution as a standard. The Bateman, finite difference, Runge-Kutta and matrix exponential methods are investigated. The present study confirms the following. The original Bateman method has very low accuracy in some cases, because of large-scale cancellations. The revised Bateman method by Siewers reduces the occurrence of cancellations and thereby shows high accuracy. In the time difference method as the finite difference and Runge-Kutta methods, the solutions are mainly affected by the truncation errors in the early decay time, and afterward by the round-off errors. Even though the variable time mesh is employed to suppress the accumulation of round-off errors, it appears to be nonpractical. Judging from these estimations, the matrix exponential method is the best among all the methods except the Bateman method whose calculation process for a linear chain is not identical with that for a general one. (author)

Interfacial free energy governs single polystyrene chain collapse in water and aqueous solutions.

Science.gov (United States)

Li, Isaac T S; Walker, Gilbert C

2010-05-12

The hydrophobic interaction is significantly responsible for driving protein folding and self-assembly. To understand it, the thermodynamics, the role of water structure, the dewetting process surrounding hydrophobes, and related aspects have undergone extensive investigations. Here, we examine the hypothesis that polymer-solvent interfacial free energy is adequate to describe the energetics of the collapse of a hydrophobic homopolymer chain at fixed temperature, which serves as a much simplified model for studying the hydrophobic collapse of a protein. This implies that changes in polymer-solvent interfacial free energy should be directly proportional to the force to extend a collapsed polymer into a bad solvent. To test this hypothesis, we undertook single-molecule force spectroscopy on a collapsed, single, polystyrene chain in water-ethanol and water-salt mixtures where we measured the monomer solvation free energy from an ensemble average conformations. Different proportions within the binary mixture were used to create solvents with different interfacial free energies with polystyrene. In these mixed solvents, we observed a linear correlation between the interfacial free energy and the force required to extend the chain into solution, which is a direct measure of the solvation free energy per monomer on a single chain at room temperature. A simple analytical model compares favorably with the experimental results. This knowledge supports a common assumption that explicit water solvent may not be necessary for cases whose primary concerns are hydrophobic interactions and hydrophobic hydration.

Characterization of potassium bromide crystals grown in the aqueous solution of picric acid

Energy Technology Data Exchange (ETDEWEB)

Maheswari, J. Uma, E-mail: umak.anand@gmail.com [Department of Physics, The M.D.T.Hindu College, Tirunelveli 627010, Tamilnadu (India); Krishnan, C. [Department of Physics, Arignar Anna College, Aralvoymoli 629301, Tamilnadu (India); Kalyanaraman, S. [Physics Research Centre, Sri Paramakalyani College, Alwarkurichi 627412, Tamilnadu (India); Selvarajan, P. [Department of Physics, Aditanar College of Arts and Science, Tiruchendur 628216, Tamilnadu (India)

2016-12-01

Potassium bromide crystals were grown in the aqueous solution of picric acid by slow evaporation technique at room temperature. X-ray Diffraction (XRD) analysis ensures that the grown sample is in Fm3m space group and FCC structure. Energy Dispersive X-ray Spectroscopy (EDX) reveals the presence of elements in the title compound. UV–Vis-NIR spectrum reveals that the grown sample is a promising nonlinear optical (NLO) material. FTIR analysis confirms the functional groups present in the sample. The thermogravimetric (TG) and differential thermogravimetric (DTA) analyses ensure that the sample material is thermally stable up to 160 °C. The second harmonic efficiency of the sample is 1.3 times greater than that of standard KDP. The mechanical strength of the grown sample is estimated by Vickers microhardness tester. The electrical properties were investigated by impedance analysis and the results of various studies of the grown crystals are discussed.

Solid solutions of hydrogen uranyl phosphate and hydrogen uranyl arsenate. A family of luminescent, lamellar hosts

International Nuclear Information System (INIS)

Dorhout, P.K.; Rosenthal, G.L.; Ellis, A.B.

1988-01-01

Hydrogen uranyl phosphate, HUO 2 PO 4 x 4H 2 O (HUP), and hydrogen uranyl arsenate, HUO 2 AsO 4 x 4H 2 O (HUAs), form solid solutions of composition HUO 2 (PO 4 ) 1-x (AsO 4 )x (HUPAs), representing a family of lamellar, luminescent solids that can serve as hosts for intercalation chemistry. The solids are prepared by aqueous precipitation reactions from uranyl nitrate and mixtures of phosphoric and arsenic acids; thermogravimetric analysis indicates that the phases are tetrahydrates, like HUP and HUAs. Powder x-ray diffraction data reveal the HUPAs solids to be single phases whose lattice constants increase with X, in rough accord with Vegard's law Spectral shifts observed for the HUPAs samples. Emission from the solids is efficient (quantum yields of ∼ 0.2) and long-lived (lifetimes of ∼ 150 μs), although the measured values are uniformly smaller than those of HUP and HUAs; unimolecular radiative and nonradiative rate constants for excited-state decay of ∼ 1500 and 5000 s -1 , respectively, have been calculated for the compounds. 18 refs., 5 figs., 2 tabs

Heterojunction oxide thin-film transistors with unprecedented electron mobility grown from solution.

Science.gov (United States)

Faber, Hendrik; Das, Satyajit; Lin, Yen-Hung; Pliatsikas, Nikos; Zhao, Kui; Kehagias, Thomas; Dimitrakopulos, George; Amassian, Aram; Patsalas, Panos A; Anthopoulos, Thomas D

2017-03-01

Thin-film transistors made of solution-processed metal oxide semiconductors hold great promise for application in the emerging sector of large-area electronics. However, further advancement of the technology is hindered by limitations associated with the extrinsic electron transport properties of the often defect-prone oxides. We overcome this limitation by replacing the single-layer semiconductor channel with a low-dimensional, solution-grown In 2 O 3 /ZnO heterojunction. We find that In 2 O 3 /ZnO transistors exhibit band-like electron transport, with mobility values significantly higher than single-layer In 2 O 3 and ZnO devices by a factor of 2 to 100. This marked improvement is shown to originate from the presence of free electrons confined on the plane of the atomically sharp heterointerface induced by the large conduction band offset between In 2 O 3 and ZnO. Our finding underscores engineering of solution-grown metal oxide heterointerfaces as an alternative strategy to thin-film transistor development and has the potential for widespread technological applications.

Heterojunction oxide thin-film transistors with unprecedented electron mobility grown from solution

KAUST Repository

Faber, Hendrik

2017-04-28

Thin-film transistors made of solution-processed metal oxide semiconductors hold great promise for application in the emerging sector of large-area electronics. However, further advancement of the technology is hindered by limitations associated with the extrinsic electron transport properties of the often defect-prone oxides. We overcome this limitation by replacing the single-layer semiconductor channel with a low-dimensional, solution-grown In2O3/ZnO heterojunction. We find that In2O3/ZnO transistors exhibit band-like electron transport, with mobility values significantly higher than single-layer In2O3 and ZnO devices by a factor of 2 to 100. This marked improvement is shown to originate from the presence of free electrons confined on the plane of the atomically sharp heterointerface induced by the large conduction band offset between In2O3 and ZnO. Our finding underscores engineering of solution-grown metal oxide heterointerfaces as an alternative strategy to thin-film transistor development and has the potential for widespread technological applications.

Multiple scales and phases in discrete chains with application to folded proteins

Science.gov (United States)

Sinelnikova, A.; Niemi, A. J.; Nilsson, Johan; Ulybyshev, M.

2018-05-01

Chiral heteropolymers such as large globular proteins can simultaneously support multiple length scales. The interplay between the different scales brings about conformational diversity, determines the phase properties of the polymer chain, and governs the structure of the energy landscape. Most importantly, multiple scales produce complex dynamics that enable proteins to sustain live matter. However, at the moment there is incomplete understanding of how to identify and distinguish the various scales that determine the structure and dynamics of a complex protein. Here we address this impending problem. We develop a methodology with the potential to systematically identify different length scales, in the general case of a linear polymer chain. For this we introduce and analyze the properties of an order parameter that can both reveal the presence of different length scales and can also probe the phase structure. We first develop our concepts in the case of chiral homopolymers. We introduce a variant of Kadanoff's block-spin transformation to coarse grain piecewise linear chains, such as the C α backbone of a protein. We derive analytically, and then verify numerically, a number of properties that the order parameter can display, in the case of a chiral polymer chain. In particular, we propose that in the case of a chiral heteropolymer the order parameter can reveal traits of several different phases, contingent on the length scale at which it is scrutinized. We confirm that this is the case with crystallographic protein structures in the Protein Data Bank. Thus our results suggest relations between the scales, the phases, and the complexity of folding pathways.

Numerical solution of fluid-structure interaction represented by human vocal folds in airflow

Directory of Open Access Journals (Sweden)

Valášek J.

2016-01-01

Full Text Available The paper deals with the human vocal folds vibration excited by the fluid flow. The vocal fold is modelled as an elastic body assuming small displacements and therefore linear elasticity theory is used. The viscous incompressible fluid flow is considered. For purpose of numerical solution the arbitrary Lagrangian-Euler method (ALE is used. The whole problem is solved by the finite element method (FEM based solver. Results of numerical experiments with different boundary conditions are presented.

Numerical solution of fluid-structure interaction represented by human vocal folds in airflow

Science.gov (United States)

Valášek, J.; Sváček, P.; Horáček, J.

2016-03-01

The paper deals with the human vocal folds vibration excited by the fluid flow. The vocal fold is modelled as an elastic body assuming small displacements and therefore linear elasticity theory is used. The viscous incompressible fluid flow is considered. For purpose of numerical solution the arbitrary Lagrangian-Euler method (ALE) is used. The whole problem is solved by the finite element method (FEM) based solver. Results of numerical experiments with different boundary conditions are presented.

The soliton solution of BBGKY quantum kinetic equations chain for different type particles system

International Nuclear Information System (INIS)

Rasulova, M.Yu.; Avazov, U.; Hassan, T.

2006-12-01

In the present paper on the basis of BBGKY chain of quantum kinetic equations the chain of equations for correlation matrices is derived, describing the evolution of a system of different types particles, which interact by pair potential. The series, which is the solution of this chain of equations for correlation matrices, is suggested. Using this series the solution of the last chain of equations is reduced to a solution of a set of homogeneous and nonhomogeneous von-Neumann's kinetic equations (analogue of Vlasov equations for quantum case). The first and second equations of this set of equations coincide with the first and second kinetic equations of the set, which is used in plasma physics. For an potential in the form of Dirac delta function, the solution of von-Neumann equation is defined through soliton solution of nonlinear Schrodinger equations. Based on von-Neumann equation one can define all terms of series, which is a solution of a chain of equations for correlation matrices. On the basis of these correlation matrices for a system of different types of particles we can define exact solution of BBGKY chain of quantum kinetic equations

Purification of correctly oxidized MHC class I heavy-chain molecules under denaturing conditions: a novel strategy exploiting disulfide assisted protein folding

DEFF Research Database (Denmark)

Ferré, Henrik; Ruffet, Emmanuel; Blicher, Thomas

2003-01-01

The aim of this study has been to develop a strategy for purifying correctly oxidized denatured major histocompability complex class I (MHC-I) heavy-chain molecules, which on dilution, fold efficiently and become functional. Expression of heavy-chain molecules in bacteria results in the formation...... of insoluble cellular inclusion bodies, which must be solubilized under denaturing conditions. Their subsequent purification and refolding is complicated by the fact that (1). correct folding can only take place in combined presence of beta(2)-microglobulin and a binding peptide; and (2). optimal in vitro...... conditions for disulfide bond formation ( approximately pH 8) and peptide binding ( approximately pH 6.6) are far from complementary. Here we present a two-step strategy, which relies on uncoupling the events of disulfide bond formation and peptide binding. In the first phase, heavy-chain molecules...

Purification of correctly oxidized MHC class I heavy-chain molecules under denaturing conditions: A novel strategy exploiting disulfide assisted protein folding

DEFF Research Database (Denmark)

Ferré, Henrik; Ruffet, E.; Blicher, T.

2003-01-01

The aim of this study has been to develop a strategy for purifying correctly oxidized denatured major histocompability complex class I (MHC-I) heavy-chain molecules, which on dilution, fold efficiently and become functional. Expression of heavy-chain molecules in bacteria results in the formation...... of insoluble cellular inclusion bodies, which must be solubilized under denaturing conditions. Their subsequent purification and refolding is complicated by the fact that (1) correct folding can only take place in combined presence of beta(2)-microglobulin and a binding peptide; and (2) optimal in vitro...... conditions for disulfide bond formation (similar topH 8) and peptide binding (similar topH 6.6) are far from complementary. Here we present a two-step strategy, which relies on uncoupling the events of disulfide bond formation and peptide binding. In the first phase, heavy-chain molecules with correct...

Synthesis and characterization of a lamellar hydroxyapatite/DNA nanohybrid

Energy Technology Data Exchange (ETDEWEB)

Zuo Guifu; Wan Yizao; Meng Xianguang [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Zhao Qing [School of Agriculture and Bioengineering, Tianjin University, Tianjin 300072 (China); Ren Kaijing [Department of Joint Surgery, Tianjin Hospital, Tianjin 300211 (China); Jia Shiru [Key Laboratory of Industrial Microbiology, Ministry of Education, Tianjin University of Science and Technology, 29, 13th Street, TEDA, Tianjin 300457 (China); Wang Jiehua, E-mail: gfzuo@tju.edu.cn [School of Agriculture and Bioengineering, Tianjin University, Tianjin 300072 (China)

2011-04-15

Research highlights: {yields} A lamellar hydroxyapatite (HAp)/DNA nanohybrid was prepared as a novel gene delivering vector. {yields} Gel electrophoresis analysis confirmed that the lamellar HAp could protect DNA from degradation of DNase I. {yields} The protected DNA in the HAp/DNA nanohybrid could be recovered readily under acid conditions. - Abstract: Two-dimensional layered materials exhibit desired functionalities when being used as gene delivery materials. In this study, a novel gene delivering vector, lamellar hydroxyapatite (HAp)/DNA nanohybrid was prepared. The structure of HAp/DNA nanohybrid was investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Fourier transform infrared (FT-IR) spectroscopy analysis revealed that ion-exchange occurred during the process. Gel electrophoresis analysis confirmed that the lamellar HAp could protect DNA from degradation of DNase I and the protected DNA could be recovered readily under acid conditions. Furthermore, the integrity of released DNA was confirmed by UV-vis spectra.

Synthesis and characterization of a lamellar hydroxyapatite/DNA nanohybrid

International Nuclear Information System (INIS)

Zuo Guifu; Wan Yizao; Meng Xianguang; Zhao Qing; Ren Kaijing; Jia Shiru; Wang Jiehua

2011-01-01

Research highlights: → A lamellar hydroxyapatite (HAp)/DNA nanohybrid was prepared as a novel gene delivering vector. → Gel electrophoresis analysis confirmed that the lamellar HAp could protect DNA from degradation of DNase I. → The protected DNA in the HAp/DNA nanohybrid could be recovered readily under acid conditions. - Abstract: Two-dimensional layered materials exhibit desired functionalities when being used as gene delivery materials. In this study, a novel gene delivering vector, lamellar hydroxyapatite (HAp)/DNA nanohybrid was prepared. The structure of HAp/DNA nanohybrid was investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Fourier transform infrared (FT-IR) spectroscopy analysis revealed that ion-exchange occurred during the process. Gel electrophoresis analysis confirmed that the lamellar HAp could protect DNA from degradation of DNase I and the protected DNA could be recovered readily under acid conditions. Furthermore, the integrity of released DNA was confirmed by UV-vis spectra.

Lamellar-crossing-structured Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} nanocomposite for electrochemical supercapacitor materials

Energy Technology Data Exchange (ETDEWEB)

Wu, Qingnan [Department of Chemistry, State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai 200092 (China); Wen, Ming, E-mail: m_wen@tongji.edu.cn [Department of Chemistry, State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai 200092 (China); Shanghai Key Lab of Chemical Assessment and Sustainability, Tongji University, Shanghai 200092 (China); Chen, Shipei [Department of Chemistry, State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai 200092 (China); Wu, Qingsheng [Department of Chemistry, State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai 200092 (China); Shanghai Key Lab of Chemical Assessment and Sustainability, Tongji University, Shanghai 200092 (China)

2015-10-15

Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} lamellar-crossing-nanostructure with a single lamellar spacing of ∼5 nm was effectively constructed through two-phase-interface reaction process followed by the CNTs crossed among the lamellar-nanostructured Ni(OH){sub 2}. The resultant nanocomposite can offer large active surface areas and short diffusion paths for electrons and ions, and is investigated as a potential pseudocapacitor electrode material for electrochemical energy storage applications. Electrochemical data demonstrate that the as-prepared nanocomposite exhibits a high specific capacitance of ∼1600 F g{sup −1} at the scan rate of 1 mV s{sup −1} in 6 M KOH solution at normal pressure and temperature, which is great higher than Ni(OH){sub 2} (∼1200 F g{sup −1}). Furthermore, Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} nanocomposite shows a higher energy density (∼125 Wh kg{sup −1}, 2 A g{sup −1}) and has a slightly decrease of 5% in specific capacitance after 1000 continuous charge/discharge cycles. - Graphical abstract: As-constructed Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} lamellar-crossing-nanostructure exhibits remarkable enhancement in electrochemical stability and high specific capacity of ∼1600 F g{sup −1} at a scan rate of 1 mV s{sup −1}, suggesting promising potential for supercapacitor applications. - Highlights: • New designed lamellar-crossing-structured Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} nanocomposites have been firstly reported in this work. • Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} lamellar-crossing-nanostructures show firm nanostructure and excellent electrochemical stability. • Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} nanocomposites exhibit excellent specific capacitance. • Ni(OH){sub 2}/CNTs/Ni(OH){sub 2} nanocomposites have the potential application in electrochemical energy storage applications.

Anatomical and Functional Results of Lamellar Macular Holes Surgery.

Science.gov (United States)

Papadopoulou, D; Donati, G; Mangioris, G; Pournaras, C J

2016-04-01

To determine the long-term surgical findings and outcomes after vitrectomy for symptomatic lamellar macular holes. We studied 28 patients with lamellar macular holes and central visual loss or distortion. All interventions were standard 25 G vitrectomy with membranectomy of the internal limiting membrane (ILM), peeling and gas tamponade with SF6 20 %. Operations were performed by a single experienced surgeon within the last 3 years. Best corrected visual acuity and optical coherence tomography appearance were determined preoperatively and postoperatively. Following the surgical procedure, all macular holes were closed; however, in 3 eyes, significant foveal thinning was associated with changes in the retinal pigment epithelium changes. The mean best-corrected visual acuity improved postoperatively in the majority of the patients (n: 21, mean 0.3 logMAR), stabilised in 4 patients and decreased in 3 patients (mean 0.4 logMAR). Spectral Domain-Optical coherence tomography (SD-OCT) showed resolution of the lamellar lesion and improved macular contour in all cases. We demonstrated improvement in postoperative vision and the anatomical reconstruction of the anatomical contour of the fovea in most eyes with symptomatic lamellar holes. These findings indicate that vitrectomy, membranectomy and ILM peeling with gas tamponade is a beneficial treatment of symptomatic lamellar macular holes. Georg Thieme Verlag KG Stuttgart · New York.

Solitons and protein folding: An In Silico experiment

Energy Technology Data Exchange (ETDEWEB)

Ilieva, N., E-mail: nevena.ilieva@parallel.bas.bg [Institute of Information and Communication Technologies, Bulgarian Aacademy of Sciences, Sofia (Bulgaria); Dai, J., E-mail: daijing491@gmail.com [School of Physics, Beijing Institute of Technology, Beijing (China); Sieradzan, A., E-mail: adams86@wp.pl [Faculty of Chemistry, University of Gdańsk, Gdańsk (Poland); Niemi, A., E-mail: Antti.Niemi@physics.uu.se [Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden); LMPT–CNRS, Université de Tours, Tours (France)

2015-10-28

Protein folding [1] is the process of formation of a functional 3D structure from a random coil — the shape in which amino-acid chains leave the ribosome. Anfinsen’s dogma states that the native 3D shape of a protein is completely determined by protein’s amino acid sequence. Despite the progress in understanding the process rate and the success in folding prediction for some small proteins, with presently available physics-based methods it is not yet possible to reliably deduce the shape of a biologically active protein from its amino acid sequence. The protein-folding problem endures as one of the most important unresolved problems in science; it addresses the origin of life itself. Furthermore, a wrong fold is a common cause for a protein to lose its function or even endanger the living organism. Soliton solutions of a generalized discrete non-linear Schrödinger equation (GDNLSE) obtained from the energy function in terms of bond and torsion angles κ and τ provide a constructive theoretical framework for describing protein folds and folding patterns [2]. Here we study the dynamics of this process by means of molecular-dynamics simulations. The soliton manifestation is the pattern helix–loop–helix in the secondary structure of the protein, which explains the importance of understanding loop formation in helical proteins. We performed in silico experiments for unfolding one subunit of the core structure of gp41 from the HIV envelope glycoprotein (PDB ID: 1AIK [3]) by molecular-dynamics simulations with the MD package GROMACS. We analyzed 80 ns trajectories, obtained with one united-atom and two different all-atom force fields, to justify the side-chain orientation quantification scheme adopted in the studies and to eliminate force-field based artifacts. Our results are compatible with the soliton model of protein folding and provide first insight into soliton-formation dynamics.

Solitons and protein folding: An In Silico experiment

International Nuclear Information System (INIS)

Ilieva, N.; Dai, J.; Sieradzan, A.; Niemi, A.

2015-01-01

Protein folding [1] is the process of formation of a functional 3D structure from a random coil — the shape in which amino-acid chains leave the ribosome. Anfinsen’s dogma states that the native 3D shape of a protein is completely determined by protein’s amino acid sequence. Despite the progress in understanding the process rate and the success in folding prediction for some small proteins, with presently available physics-based methods it is not yet possible to reliably deduce the shape of a biologically active protein from its amino acid sequence. The protein-folding problem endures as one of the most important unresolved problems in science; it addresses the origin of life itself. Furthermore, a wrong fold is a common cause for a protein to lose its function or even endanger the living organism. Soliton solutions of a generalized discrete non-linear Schrödinger equation (GDNLSE) obtained from the energy function in terms of bond and torsion angles κ and τ provide a constructive theoretical framework for describing protein folds and folding patterns [2]. Here we study the dynamics of this process by means of molecular-dynamics simulations. The soliton manifestation is the pattern helix–loop–helix in the secondary structure of the protein, which explains the importance of understanding loop formation in helical proteins. We performed in silico experiments for unfolding one subunit of the core structure of gp41 from the HIV envelope glycoprotein (PDB ID: 1AIK [3]) by molecular-dynamics simulations with the MD package GROMACS. We analyzed 80 ns trajectories, obtained with one united-atom and two different all-atom force fields, to justify the side-chain orientation quantification scheme adopted in the studies and to eliminate force-field based artifacts. Our results are compatible with the soliton model of protein folding and provide first insight into soliton-formation dynamics

Markov chain solution of photon multiple scattering through turbid slabs.

Science.gov (United States)

Lin, Ying; Northrop, William F; Li, Xuesong

2016-11-14

This work introduces a Markov Chain solution to model photon multiple scattering through turbid slabs via anisotropic scattering process, i.e., Mie scattering. Results show that the proposed Markov Chain model agree with commonly used Monte Carlo simulation for various mediums such as medium with non-uniform phase functions and absorbing medium. The proposed Markov Chain solution method successfully converts the complex multiple scattering problem with practical phase functions into a matrix form and solves transmitted/reflected photon angular distributions by matrix multiplications. Such characteristics would potentially allow practical inversions by matrix manipulation or stochastic algorithms where widely applied stochastic methods such as Monte Carlo simulations usually fail, and thus enable practical diagnostics reconstructions such as medical diagnosis, spray analysis, and atmosphere sciences.

Heterojunction oxide thin-film transistors with unprecedented electron mobility grown from solution

KAUST Repository

Faber, Hendrik; Das, Satyajit; Lin, Yen-Hung; Pliatsikas, Nikos; Zhao, Kui; Kehagias, Thomas; Dimitrakopulos, George; Amassian, Aram; Patsalas, Panos A.; Anthopoulos, Thomas D.

2017-01-01

with the extrinsic electron transport properties of the often defect-prone oxides. We overcome this limitation by replacing the single-layer semiconductor channel with a low-dimensional, solution-grown In2O3/ZnO heterojunction. We find that In2O3/ZnO transistors

Fabrication of radiation detectors with HgI2 crystals grown from a solution

International Nuclear Information System (INIS)

Friant, Alain; Mellet, Jean; Saliou, Charles; Mohammed Brahim, Tayeb.

1979-01-01

Mercuric Iodide crystals grown from a solution of molecular complexes with dimethylsulfoxide have been evaluated as γ-ray and X-ray room temperature detectors. Compared with materials grown from the vapor phase these crystals are characterized by a larger size, a lower level of native defects, but a higher impurity level. Detector technology, X-ray and γ-ray (up to 662 keV) detection properties and characterization measurements (T.S.C., photoconductivity, photovoltaic effect) are described. The effect of light on crystal properties is briefly discussed [fr

Mechanisms of lamellar collagen formation in connective tissues.

Science.gov (United States)

Ghazanfari, Samaneh; Khademhosseini, Ali; Smit, Theodoor H

2016-08-01

The objective of tissue engineering is to regenerate functional tissues. Engineering functional tissues requires an understanding of the mechanisms that guide the formation and evolution of structure in the extracellular matrix (ECM). In particular, the three-dimensional (3D) collagen fiber arrangement is important as it is the key structural determinant that provides mechanical integrity and biological function. In this review, we survey the current knowledge on collagen organization mechanisms that can be applied to create well-structured functional lamellar tissues and in particular intervertebral disc and cornea. Thus far, the mechanisms behind the formation of cross-aligned collagen fibers in the lamellar structures is not fully understood. We start with cell-induced collagen alignment and strain-stabilization behavior mechanisms which can explain a single anisotropically aligned collagen fiber layer. These mechanisms may explain why there is anisotropy in a single layer in the first place. However, they cannot explain why a consecutive collagen layer is laid down with an alternating alignment. Therefore, we explored another mechanism, called liquid crystal phasing. While dense concentrations of collagen show such behavior, there is little evidence that the conditions for liquid crystal phasing are actually met in vivo. Instead, lysyl aldehyde-derived collagen cross-links have been found essential for correct lamellar matrix deposition. Furthermore, we suggest that supra-cellular (tissue-level) shear stress may be instrumental in the alignment of collagen fibers. Understanding the potential mechanisms behind the lamellar collagen structure in connective tissues will lead to further improvement of the regeneration strategies of functional complex lamellar tissues. Copyright © 2016 Elsevier Ltd. All rights reserved.

Thermo-solutal growth of an anisotropic dendrite with six-fold symmetry

Science.gov (United States)

Alexandrov, D. V.; Galenko, P. K.

2018-03-01

A stable growth of dendritic crystal with the six-fold crystalline anisotropy is analyzed in a binary nonisothermal mixture. A selection criterion representing a relationship between the dendrite tip velocity and its tip diameter is derived on the basis of morphological stability analysis and solvability theory. A complete set of nonlinear equations, consisting of the selection criterion and undercooling balance condition, which determines implicit dependencies of the dendrite tip velocity and tip diameter as functions of the total undercooling, is formulated. Exact analytical solutions of these nonlinear equations are found in a parametric form. Asymptotic solutions describing the crystal growth at small Péclet numbers are determined. Theoretical predictions are compared with experimental data obtained for ice dendrites growing in binary water-ethylenglycol solutions as well as in pure water.

Radiation induced solid-state polymerization of long-chain acrylates containing fluorocarbon chain

International Nuclear Information System (INIS)

Shibasaki, Y.; Zhu, Zhi-Qin

1995-01-01

γ-Ray irradiation post-polymerizations of long-chain acrylates containing fluorocarbon chain, H(CF 2 ) 10 CH 2 OCOCH=CH 2 and H(CF 2 ) 8 CH 2 OCOCH=CH 2 , were investigated and also the structures and thermal properties of comb-like polymers obtained were studied. It was found that these monomers exhibited very high polymerizability at wide temperature ranges around the melting points. Because the fluorocarbon chains are less flexible and thicker than the hydrocarbon chains, it can be expected that the aggregation force among the monomer molecules is strong and the conformational freedom of functional group for polymerization is large. According to the DSC and the X-ray diffraction measurements of the comb-like polymers obtained, the fluorocarbon chains are aggregated in a mode of hexagonal packing in the lamellar crystals. This situation can be considered as an optimum condition for the γ-ray irradiation post-polymerization. (author)

Endothelial cell density after deep anterior lamellar keratoplasty (Melles technique)

NARCIS (Netherlands)

Van Dooren, BTH; Mulder, PGH; Nieuwendaal, CP; Beekhuis, WH; Melles, GRJ

PURPOSE: To measure the recipient endothelial cell loss after the Melles technique for deep anterior lamellar keratoplasty. METHODS: In 21 eyes of 21 patients, a deep anterior lamellar keratoplasty procedure was performed. Before surgery and at 6, 12, and 24 months after surgery, specular microscopy

Does lamellar surgery for keratoconus experience the popularity it deserves?

Science.gov (United States)

Wisse, Robert P L; van den Hoven, Célinde M L; Van der Lelij, Allegonda

2014-08-01

To analyse developments in surgical treatment for keratoconus (KC) by assessing rates and types of corneal surgery from 2005 to 2010. The Dutch Transplantation Foundation supplied data on all keratoplasty procedures for KC performed from 2005 to 2010 in the Netherlands. Registration was carried out by the eyebank at allocation and by the surgeon at the time of surgery. The type of surgery was categorized as either a penetrating or a lamellar procedure. Five hundred and seventy-five anonymized records were received, with excellent data completion (99%). Patients undergoing penetrating surgery had on average a lower visual acuity, higher k-readings and were slightly older compared with the lamellar group. A previous corneal hydrops was recorded for 19.1% of patients. Regular penetrating keratoplasty decreased in popularity from 79.7% in 2005 to 43.7% in 2010, due to the increased rate of lamellar surgery (42.5% in 2010) and 'mushroom' penetrating keratoplasty (13.8% in 2010). When hydrops cases were excluded, popularity became equal (47.6% penetrating versus 52.4% lamellar surgery, in 2010). Lamellar surgery is gaining in popularity, although regular penetrating keratoplasty is still the more commonly performed procedure. Only when hydrops cases are excluded do transplant rates become comparable. © 2013 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

Structure Study of Cellulose Fibers Wet-Spun from Environmentally Friendly NaOH/Urea Aqueous Solutions

Energy Technology Data Exchange (ETDEWEB)

Chen,X.; Burger, C.; Wan, F.; Zhang, J.; Rong, L.; Hsiao, B.; Chu, B.; Cai, J.; Zhang, L.

2007-01-01

In this study, structure changes of regenerated cellulose fibers wet-spun from a cotton linter pulp (degree of polymerization {approx}620) solution in an NaOH/urea solvent under different conditions were investigated by simultaneous synchrotron wide-angle X-ray diffraction (WAXD) and small-angle X-ray scattering (SAXS). WAXD results indicated that the increase in flow rate during spinning produced a better crystal orientation and a higher degree of crystallinity, whereas a 2-fold increase in draw ratio only affected the crystal orientation. When coagulated in a H{sub 2}SO{sub 4}/Na{sub 2}SO{sub 4} aqueous solution at 15 {sup o}C, the regenerated fibers exhibited the highest crystallinity and a crystal orientation comparable to that of commercial rayon fibers by the viscose method. SAXS patterns exhibited a pair of meridional maxima in all regenerated cellulose fibers, indicating the existence of a lamellar structure. A fibrillar superstructure was observed only at higher flow rates (>20 m/min). The conformation of cellulose molecules in NaOH/urea aqueous solution was also investigated by static and dynamic light scattering. It was found that cellulose chains formed aggregates with a radius of gyration, R{sub g}, of about 232 nm and an apparent hydrodynamic radius, R{sub h}, of about 172 nm. The NaOH/urea solvent system is low-cost and environmentally friendly, which may offer an alternative route to replace more hazardous existing methods for the production of regenerated cellulose fibers.

Physics of protein folding

Science.gov (United States)

Finkelstein, A. V.; Galzitskaya, O. V.

2004-04-01

Protein physics is grounded on three fundamental experimental facts: protein, this long heteropolymer, has a well defined compact three-dimensional structure; this structure can spontaneously arise from the unfolded protein chain in appropriate environment; and this structure is separated from the unfolded state of the chain by the “all-or-none” phase transition, which ensures robustness of protein structure and therefore of its action. The aim of this review is to consider modern understanding of physical principles of self-organization of protein structures and to overview such important features of this process, as finding out the unique protein structure among zillions alternatives, nucleation of the folding process and metastable folding intermediates. Towards this end we will consider the main experimental facts and simple, mostly phenomenological theoretical models. We will concentrate on relatively small (single-domain) water-soluble globular proteins (whose structure and especially folding are much better studied and understood than those of large or membrane and fibrous proteins) and consider kinetic and structural aspects of transition of initially unfolded protein chains into their final solid (“native”) 3D structures.

Newtonian Analysis of a Folded Chain Drop

Science.gov (United States)

Mungan, Carl E.

2018-05-01

Consider a chain of length L that hangs in a U shape with end A fixed to a rigid support and free end E released from rest starting from the same initial height (call it y = 0) as A. Figure 1 sketches the chain after end E has fallen a distance y. Points O and A are assumed to be close enough to each other and the chain flexible enough that the radius of curvature r at the bottom point C can be taken to be negligibly small (compared to the length of the chain). The problem is to compare the speed of descent v(y) = dy/dt of the free end E of the chain to the speed vfree(y )=√{2 g y } of a free-falling point mass that has descended the same distance y. If v(y) > vfree (y) for all y > 0, then, in a race to fall any arbitrary distance Y (where 0 < Y < L), the chain end E will always beat a simultaneously released point mass, because the fall time t for E will be shorter than tfree for the point mass, t = ∫0 Y d/y v (y )

Endothelial cell density after deep anterior lamellar keratoplasty (Melles technique)

NARCIS (Netherlands)

van Dooren, Bart T. H.; Mulder, Paul G. H.; Nieuwendaal, Carla P.; Beekhuis, W. Houdijn; Melles, Gerrit R. J.

2004-01-01

To measure the recipient endothelial cell loss after the Melles technique for deep anterior lamellar keratoplasty. In 21 eyes of 21 patients, a deep anterior lamellar keratoplasty procedure was performed. Before surgery and at 6, 12, and 24 months after surgery, specular microscopy was performed to

Efficient Incorporation of Mg in Solution Grown GaN Crystals

Science.gov (United States)

2013-10-11

dispersed by a 1800 grooves/mm 0.85m double-grating spectrometer and detected by a UV -sensitive GaAs photomultiplier coupled to a computer-controlled... UV excitation at RT was attacked by the etching solution (which is indicative of the N-polar surface), as depicted in Figs. 2(a) and 2(b). This result...thorough spectrometric and optical spectro - scopic studies in combination with selective etching carried out on samples grown by the moderate-pressure

Precipitation kinetics of lamellar (γ) laths in a TiAl-base alloy

International Nuclear Information System (INIS)

Zhang, W.J.; Francesconi, L.; Evangelista, E.

1997-01-01

Titanium aluminide is a candidate material for high temperature applications. Although different types of microstructure have been produced in TiAl-base alloys, the fully-lamellar structure is currently regarded as the most attractive. This kind of microstructure can be characterized by the factors, namely, colony size, lamellar interspacing, the existence of Widmanstatten (secondary) laths, and the type of grain boundaries (smooth or interlocking). The objective of this paper is to examine the nucleation and growth kinetics of γ lamellar laths during continuous and isothermal cooling. These data are expected to benefit the understanding of the transformation mechanism and the design of lamellar TiAl microstructure for industrial application

Uptake of radiocaesium by lettuce crops: the effect of K in soil solution

International Nuclear Information System (INIS)

Waegeneers, N.; Camps I Vila, M.; Smolders, E.; Merckx, R.; Sauras, T.; Madoz-Escande, C.

1998-01-01

The effect of varying K supply on 137 Cs uptake by lettuce (Lactuca sativa, cv. Batavia, Gloire du Dauphine) was studied in solution culture, in a potted soil experiment and in a greenhouse lysimeter experiment under close-to-real conditions. Lettuce was grown for 13 days in nutrient solution spiked with 137 Cs. Treatments were four concentrations of potassium in solution (25, 50, 250, and 1000 μM). Yields were marginally affected by K supply. The 137 Cs concentration factor (CF, ml/g) decreased 66-fold in the shoot and 432-fold in the roots over the whole K concentration range. The decrease was most pronounced between 25 and 250 μM K. In a subsequent experiment, lettuce was grown for 20 days under the same climatic conditions in two sandy-foam soils (A, B) contaminated with 134 Cs. Both had similar characteristics but differed widely in K supply. Soil solution K concentrations were 100 μM (A) or 3000 μM (B). The radiocesium soil-to-plant Transfer Factor (TF, g plant dry weight / g soil) was 0.320 in soil A and 0.016 in soil B. The higher 137 Cs availability at the lower K supply (soil A) was contrasted by lower 137 Cs concentrations in soil solution of soil A than of soil B. Radiocesium transfer to lettuce grown to maturity was analysed on 5 different lysimeter soils under controlled climatic conditions. The soils were artificially contaminated with 137 Cs in 1994. The TF's varied between 0.032 and 0.191 and were not related to K concentrations in soil solution. The CF decreased about 100-fold with K concentrations increasing from 0.3 to 18 mM. Predictions of soil-to-plant transfer factors based on soil solution composition and nutrient solution results were qualitatively correct but underestimated the observed values

En face spectral domain optical coherence tomography analysis of lamellar macular holes.

Science.gov (United States)

Clamp, Michael F; Wilkes, Geoff; Leis, Laura S; McDonald, H Richard; Johnson, Robert N; Jumper, J Michael; Fu, Arthur D; Cunningham, Emmett T; Stewart, Paul J; Haug, Sara J; Lujan, Brandon J

2014-07-01

To analyze the anatomical characteristics of lamellar macular holes using cross-sectional and en face spectral domain optical coherence tomography. Forty-two lamellar macular holes were retrospectively identified for analysis. The location, cross-sectional length, and area of lamellar holes were measured using B-scans and en face imaging. The presence of photoreceptor inner segment/outer segment disruption and the presence or absence of epiretinal membrane formation were recorded. Forty-two lamellar macular holes were identified. Intraretinal splitting occurred within the outer plexiform layer in 97.6% of eyes. The area of intraretinal splitting in lamellar holes did not correlate with visual acuity. Eyes with inner segment/outer segment disruption had significantly worse mean logMAR visual acuity (0.363 ± 0.169; Snellen = 20/46) than in eyes without inner segment/outer segment disruption (0.203 ± 0.124; Snellen = 20/32) (analysis of variance, P = 0.004). Epiretinal membrane was present in 34 of 42 eyes (81.0%). En face imaging allowed for consistent detection and quantification of intraretinal splitting within the outer plexiform layer in patients with lamellar macular holes, supporting the notion that an area of anatomical weakness exists within Henle's fiber layer, presumably at the synaptic connection of these fibers within the outer plexiform layer. However, the en face area of intraretinal splitting did not correlate with visual acuity, disruption of the inner segment/outer segment junction was associated with significantly worse visual acuity in patients with lamellar macular holes.

Understanding ensemble protein folding at atomic detail

International Nuclear Information System (INIS)

Wallin, Stefan; Shakhnovich, Eugene I

2008-01-01

Although far from routine, simulating the folding of specific short protein chains on the computer, at a detailed atomic level, is starting to become a reality. This remarkable progress, which has been made over the last decade or so, allows a fundamental aspect of the protein folding process to be addressed, namely its statistical nature. In order to make quantitative comparisons with experimental kinetic data a complete ensemble view of folding must be achieved, with key observables averaged over the large number of microscopically different folding trajectories available to a protein chain. Here we review recent advances in atomic-level protein folding simulations and the new insight provided by them into the protein folding process. An important element in understanding ensemble folding kinetics are methods for analyzing many separate folding trajectories, and we discuss techniques developed to condense the large amount of information contained in an ensemble of trajectories into a manageable picture of the folding process. (topical review)

Interactions between nitrate and chloride in nutrient solutions for substrate grown tomato

NARCIS (Netherlands)

Voogt, W.; Sonneveld, C.

2004-01-01

In two successive experiments tomato was grown at different Cl and NO3 concentrations in the root environment with rockwool as a sub-strate. The EC value in the nutrient solution was fairly constant, varying between 3.5 and 4.0 dS m-1 in all treatments. The NO3 concentrations in the treatments

Detailed solution to a complex kinematics chain manipulator

International Nuclear Information System (INIS)

March-Leuba, S.; Jansen, J.F.; Kress, R.L.; Babcock, S.M.

1992-01-01

This paper presents a relatively simple method based on planar geometry to analyze the inverse kinematics for closed kinematics chain (CKC) mechanisms. Although the general problem and method of approach are well defined, the study of the inverse kinematics of a closed-chain mechanism is a very complicated one. The current methodology allows closed-form solutions to be found, if a solution exists, for the displacements and velocities of all manipulator joints. Critical design parameters can be identified and optimized by using symbolic models. This paper will focus on planar closed-chain structures extended with a rotational base. However, with open and CKC mechanisms combined in different planes, the extension to the case is straightforward. Further, real-time algorithms are developed that can be handled by existing microprocessor technology. To clarify the methodology, the Soldier Robot Interface Project (SRIP) manipulator is analyzed, and a graphic simulation is presented as a verification of the results. This manipulator has 17 links, 24 one-degree-of-freedom (DOF) joints, and 7 CKC loops working in a plane and a rotational base, which determine its 3 DOFs. The SRIP manipulator allows a decoupled linear motion along the vertical or horizontal directions using only one of its linear actuators. The symbolic solution for the inverse kinematics allows optimization to be performed to further decouple the Cartesian motions by changing link lengths of the manipulator. The conclusion achieved by the optimization is that only two link lengths need to be changed to tune the manipulator for a perfect decoupling at each area of the workspace

Co-crystallization phase transformations in all π-conjugated block copolymers with different main-chain moieties.

Science.gov (United States)

Lee, Yi-Huan; Chen, Wei-Chih; Yang, Yi-Lung; Chiang, Chi-Ju; Yokozawa, Tsutomu; Dai, Chi-An

2014-05-21

Driven by molecular affinity and balance in the crystallization kinetics, the ability to co-crystallize dissimilar yet self-crystallizable blocks of a block copolymer (BCP) into a uniform domain may strongly affect its phase diagram. In this study, we synthesize a new series of crystalline and monodisperse all-π-conjugated poly(2,5-dihexyloxy-p-phenylene)-b-poly(3-(2-ethylhexyl)thiophene) (PPP-P3EHT) BCPs and investigate this multi-crystallization effect. Despite vastly different side-chain and main-chain structures, PPP and P3EHT blocks are able to co-crystallize into a single uniform domain comprising PPP and P3EHT main-chains with mutually interdigitated side-chains spaced in-between. With increasing P3EHT fraction, PPP-P3EHTs undergo sequential phase transitions and form hierarchical superstructures including predominately PPP nanofibrils, co-crystalline nanofibrils, a bilayer co-crystalline/pure P3EHT lamellar structure, a microphase-separated bilayer PPP-P3EHT lamellar structure, and finally P3EHT nanofibrils. In particular, the presence of the new co-crystalline lamellar structure is the manifestation of the interaction balance between self-crystallization and co-crystallization of the dissimilar polymers on the resulting nanostructure of the BCP. The current study demonstrates the co-crystallization nature of all-conjugated BCPs with different main-chain moieties and may provide new guidelines for the organization of π-conjugated BCPs for future optoelectronic applications.

Reduced viscosity for flagella moving in a solution of long polymer chains

Science.gov (United States)

Zhang, Yuchen; Li, Gaojin; Ardekani, Arezoo M.

2018-02-01

The bacterial flagellum thickness is smaller than the radius of gyration of long polymer chain molecules. The flow velocity gradient over the length of polymer chains can be nonuniform and continuum models of polymeric liquids break in this limit. In this work, we use Brownian dynamics simulations to study a rotating helical flagellum in a polymer solution and overcome this limitation. As the polymer size increases, the viscosity experienced by the flagellum asymptotically reduces to the solvent viscosity. The contribution of polymer molecules to the local viscosity in a solution of long polymer chains decreases with the inverse of polymer size to the power 1/2. The difference in viscosity experienced by the bacterial cell body and flagella can predict the nonmonotonic swimming speed of bacteria in polymer solutions.

Laser thermokeratoplasty after lamellar corneal cutting.

Science.gov (United States)

Ismail, M M; Pérez-Santonja, J J; Alió, J L

1999-02-01

To evaluate the effect of laser thermokeratoplasty (LTK) in eyes that previously had a lamellar corneal cut. University of Al-Azhar, Cairo, Egypt, and Instituto Oftalmológico de Alicante, Spain. In 15 eyes (10 patients), noncontact LTK was applied 6 to 8 weeks after a lamellar corneal cut had been made. Central pachymetry, keratometry, and videokeratography were performed and uncorrected visual acuity, best spectacle-corrected visual acuity (BSCVA), and manifest and cycloplegic refractions measured before and 1, 6, 12, and 18 months after LTK. Mean follow-up was 19.13 months. Mean refraction was +5.93 diopters (D) +/- 1.9 (SD) before LTK and -0.43 +/- 1.5 D at 1 month, +1.63 +/- 1.6 D at 6 months, 1.91 +/- 1.41 at 12 months, and +2.01 +/- 1.5 D at the end of the study. Total regression did not occur in any case. Mean BSCVA before LTK was 0.66 +/- 0.2, and spontaneous visual acuity at the end of the study was 0.58 +/- 0.18. No patient lost any lines of preoperative BSCVA. There was no significant difference between the results at 12 months and at the end of the study. Corneal lamellar cutting appeared to improve the magnitude of the refractive effect of noncontact LTK and to decrease the amount of regression.

Interaction between copper and radiocesium in Indian mustard and sunflower grown in the hydroponic solution

International Nuclear Information System (INIS)

Shirong Tang; Xiaochang Wang

2002-01-01

Both Indian mustard and sunflower were grown in a hydroponic solution treated with different concentration activities of 134 Cs or with different amounts of copper or with both in order to investigate the interaction between copper and radiocesium. It was found that 134 Cs activity concentration applied in the nutrient solution exerted more influence on the uptake and translocation of copper by Indian mustard than by sunflower. Indian mustard grown in hydroponic solution containing certain levels of copper and being treated with higher 134 Cs activity concentration showed higher uptake of copper than sunflower. However, in the case of root copper concentrations, sunflower showed significantly higher copper immobilization by roots than Indian mustard. It was also found that the presence of copper the the hydroponic solution did modify radiocesium uptake by both species. The application of 1 mg/l in the growth medium could greatly increase the uptake of 134 Cs by both species. With 3 mg/l concentration of copper amended to the solution, the accumulation of 134 Cs by both species was decreased compared to the 1 mg/l copper treatment. These lines of evidence show that there is stronger interaction between copper and radiocesium in Indian mustard than in sunflower during the root uptake through nutrient solution. (author)

Conformational dynamics of a protein in the folded and the unfolded state

Energy Technology Data Exchange (ETDEWEB)

Fitter, Joerg

2003-08-01

In a quasielastic neutron scattering experiment, the picosecond dynamics of {alpha}-amylase was investigated for the folded and the unfolded state of the protein. In order to ensure a reasonable interpretation of the internal protein dynamics, the protein was measured in D{sub 2}O-buffer solution. The much higher structural flexibility of the pH induced unfolded state as compared to the native folded state was quantified using a simple analytical model, describing a local diffusion inside a sphere. In terms of this model the conformational volume, which is explored mainly by confined protein side-chain movements, is parameterized by the radius of a sphere (folded state, r=1.2 A; unfolded state, 1.8 A). Differences in conformational dynamics between the folded and the unfolded state of a protein are of fundamental interest in the field of protein science, because they are assumed to play an important role for the thermodynamics of folding/unfolding transition and for protein stability.

Insertion of anisotropic particles in lamellar surfactant phases

International Nuclear Information System (INIS)

Grillo, Isabelle

1998-01-01

We search for the interactions governing the possibility to mix organic and inorganic colloids. We use laponite, a synthetic anionic clay, made of 30 nm diameter and 1 nm thickness anisotropic disks. Three surfactant Systems, an anionic one (AOT), a cationic one (DDAB) and a nonionic one (C_1_2E_5) investigate three different cases of interaction forces. We establish experimentally the equilibrium phase diagrams and characterise the structure of these ternary Systems by SANS and SAXS experiments. We quantify the adsorption. An AOT bilayer surround the particle edges; an almost complete bilayer of DDAB and C_1_2E_5 is formed on the basal faces. SANS contrast variation experiments under controlled conditions along the adsorption isotherm of C_1_2E_5 allow to determine the average thickness of the adsorbed surfactant layer. In the monophasic lamellar domain, the particles stay between the membranes, when the spacing is larger than the particle thickness. In the biphasic domain, dense clay aggregates are in equilibrium with a lamellar phase, containing few amount of particles. They enter in the AOT bilayers when the space between the bilayers are smaller than 8 A. From the phase diagram and interaction forces study, three conditions of stability emerge: - an osmotic one: the osmotic lamellar pressure is higher or equal to the colloidal one. - an energetic one: the interaction energy between a particle and the surfactant bilayer is close to the particle energy in aqueous suspension. - an entropic one: particles should not inhibit the stabilising fluctuations of the lamellar phase. (author) [fr

Conformational dynamics of dry lamellar crystals of sugar based lipids: an atomistic simulation study.

Directory of Open Access Journals (Sweden)

Vijayan ManickamAchari

Full Text Available The rational design of a glycolipid application (e.g. drug delivery with a tailored property depends on the detailed understanding of its structure and dynamics. Because of the complexity of sugar stereochemistry, we have undertaken a simulation study on the conformational dynamics of a set of synthetic glycosides with different sugar groups and chain design, namely dodecyl β-maltoside, dodecyl β-cellobioside, dodecyl β-isomaltoside and a C12C10 branched β-maltoside under anhydrous conditions. We examined the chain structure in detail, including the chain packing, gauche/trans conformations and chain tilting. In addition, we also investigated the rotational dynamics of the headgroup and alkyl chains. Monoalkylated glycosides possess a small amount of gauche conformers (∼20% in the hydrophobic region of the lamellar crystal (LC phase. In contrast, the branched chain glycolipid in the fluid Lα phase has a high gauche population of up to ∼40%. Rotational diffusion analysis reveals that the carbons closest to the headgroup have the highest correlation times. Furthermore, its value depends on sugar type, where the rotational dynamics of an isomaltose was found to be 11-15% and more restrained near the sugar, possibly due to the chain disorder and partial inter-digitation compared to the other monoalkylated lipids. Intriguingly, the present simulation demonstrates the chain from the branched glycolipid bilayer has the ability to enter into the hydrophilic region. This interesting feature of the anhydrous glycolipid bilayer simulation appears to arise from a combination of lipid crowding and the amphoteric nature of the sugar headgroups.

2nd International Workshop on the Numerical Solution of Markov Chains

CERN Document Server

1995-01-01

Computations with Markov Chains presents the edited and reviewed proceedings of the Second International Workshop on the Numerical Solution of Markov Chains, held January 16--18, 1995, in Raleigh, North Carolina. New developments of particular interest include recent work on stability and conditioning, Krylov subspace-based methods for transient solutions, quadratic convergent procedures for matrix geometric problems, further analysis of the GTH algorithm, the arrival of stochastic automata networks at the forefront of modelling stratagems, and more. An authoritative overview of the field for applied probabilists, numerical analysts and systems modelers, including computer scientists and engineers.

Flux flow and proximity effects in aligned Pb--Cd eutectic lamellar structures

International Nuclear Information System (INIS)

Spencer, C.R.

1977-09-01

A high speed directional solidification technique was used to fabricate lamellar Pb-Cd and (Pb-Mg)--(Cd-Mg) superconductor-normal metal composites in which all the lamellae are oriented perpendicular to the broad surface of the sample. These lamellar composites are found to behave like a large number (approximately 1000) of superconducting-normal-superconducting junctions. For the Pb-Cd eutectic system, the critical current densities and critical fields have shown no dependence upon the lamellar periods between 1.0 and 3.1 microns. The critical current density of the aligned lamellar Pb-Cd structures was enhanced approximately 50% when compared to quenched eutectic alloy and to pure Pb. The superconducting transition temperature, T/sub c/, varies inversely with the square of the thickness of the superconducting material as expected from Ginzburg-Landau theory. Upon annealing, the Pb lamellae change from type II to type I superconductivity

Flux flow and proximity effects in aligned Pb--Cd eutectic lamellar structures

Energy Technology Data Exchange (ETDEWEB)

Spencer, C. R.

1977-09-01

A high speed directional solidification technique was used to fabricate lamellar Pb-Cd and (Pb-Mg)--(Cd-Mg) superconductor-normal metal composites in which all the lamellae are oriented perpendicular to the broad surface of the sample. These lamellar composites are found to behave like a large number (approximately 1000) of superconducting-normal-superconducting junctions. For the Pb-Cd eutectic system, the critical current densities and critical fields have shown no dependence upon the lamellar periods between 1.0 and 3.1 microns. The critical current density of the aligned lamellar Pb-Cd structures was enhanced approximately 50% when compared to quenched eutectic alloy and to pure Pb. The superconducting transition temperature, T/sub c/, varies inversely with the square of the thickness of the superconducting material as expected from Ginzburg-Landau theory. Upon annealing, the Pb lamellae change from type II to type I superconductivity.

Composition, structure and electrical properties of alumina barrier layers grown in fluoride-containing oxalic acid solutions

Energy Technology Data Exchange (ETDEWEB)

Jagminas, A. [Institute of Chemistry, A. Gostauto 9, LT-01108 Vilnius (Lithuania)], E-mail: jagmin@ktl.mii.lt; Vrublevsky, I. [Department of Microelectricals, Belarusian State University of Informatics and Radioelectricals, 6 Brovka Street, Minsk 220013 (Belarus); Kuzmarskyte, J.; Jasulaitiene, V. [Institute of Chemistry, A. Gostauto 9, LT-01108 Vilnius (Lithuania)

2008-04-15

The composition, structure and electrical properties of alumina barrier layers grown by anodic oxidation in F{sup -}-containing (FC) and F{sup -}-free (FF) oxalic acid solutions were studied using the re-anodizing/dissolution technique, Fourier-transformed infrared and X-ray photoelectron spectroscopy. These results confirmed formation in FC anodizing solutions of films structurally different from ones grown in FF oxalic acid baths. It was found that the barrier layer of FC alumina films is composed of two layers differing in the dissolution rate. These differences are related to the formation in the FC electrolyte of a barrier layer composed of a more microporous outer part and a thin, non-porous and non-scalloped inner part consisting of aluminum oxide and aluminum fluoride.

HCP to FCT + precipitate transformations in lamellar gamma-titanium aluminide alloys

Science.gov (United States)

Karadge, Mallikarjun Baburao

Fully lamellar gamma-TiAl [alpha2(HCP) + gamma(FCT)] based alloys are potential structural materials for aerospace engine applications. Lamellar structure stabilization and additional strengthening mechanisms are major issues in the ongoing development of titanium aluminides due to the microstructural instability resulting from decomposition of the strengthening alpha 2 phase. This work addresses characterization of multi-component TiAl systems to identify the mechanism of lamellar structure refinement and assess the effects of light element additions (C and Si) on creep deformation behavior. Transmission electron microscopy studies directly confirmed for the first time that, fine lamellar structure is formed by the nucleation and growth of a large number of basal stacking faults on the 1/6 dislocations cross slipping repeatedly into and out of basal planes. This lamellar structure can be tailored by modifying jog heights through chemistry and thermal processing. alpha 2 → gamma transformation during heating (investigated by differential scanning calorimetry and X-ray diffraction) is a two step process involving the formation of a novel disordered FCC gamma' TiAl [with a(gamma') = c(gamma)] as an intermediate phase followed by ordering. Addition of carbon and silicon induced Ti2AlC H-type carbide precipitation inside the alpha2 lath and Ti 5(Al,Si)3 zeta-type silicide precipitation at the alpha 2/gamma interface. The H-carbides preserve alpha2/gamma type interfaces, while zeta-silicide precipitates restrict ledge growth and interfacial sliding enabling strong resistance to creep deformation.

Highly conductive side chain block copolymer anion exchange membranes.

Science.gov (United States)

Wang, Lizhu; Hickner, Michael A

2016-06-28

Block copolymers based on poly(styrene) having pendent trimethyl styrenylbutyl ammonium (with four carbon ring-ionic group alkyl linkers) or benzyltrimethyl ammonium groups with a methylene bridge between the ring and ionic group were synthesized by reversible addition-fragmentation radical (RAFT) polymerization as anion exchange membranes (AEMs). The C4 side chain polymer showed a 17% increase in Cl(-) conductivity of 33.7 mS cm(-1) compared to the benzyltrimethyl ammonium sample (28.9 mS cm(-1)) under the same conditions (IEC = 3.20 meq. g(-1), hydration number, λ = ∼7.0, cast from DMF/1-propanol (v/v = 3 : 1), relative humidity = 95%). As confirmed by small angle X-ray scattering (SAXS), the side chain block copolymers with tethered ammonium cations showed well-defined lamellar morphologies and a significant reduction in interdomain spacing compared to benzyltrimethyl ammonium containing block copolymers. The chemical stabilities of the block copolymers were evaluated under severe, accelerated conditions, and degradation was observed by (1)H NMR. The block copolymer with C4 side chain trimethyl styrenylbutyl ammonium motifs displayed slightly improved stability compared to that of a benzyltrimethyl ammonium-based AEM at 80 °C in 1 M NaOD aqueous solution for 30 days.

Approximate solution to the Kolmogorov equation for a fission chain-reacting system

International Nuclear Information System (INIS)

Ruby, L.; McSwine, T.L.

1986-01-01

An approximate solution has been obtained for the Kolmogorov equation describing a fission chain-reacting system. The method considers the population of neutrons, delayed-neutron precursors, and detector counts. The effect of the detector is separated from the statistics of the chain reaction by a weak coupling assumption that predicts that the detector responds to the average rather than to the instantaneous neutron population. An approximate solution to the remaining equation, involving the populations of neutrons and precursors, predicts a negative-binomial behaviour for the neutron probability distribution

RNA folding: structure prediction, folding kinetics and ion electrostatics.

Science.gov (United States)

Tan, Zhijie; Zhang, Wenbing; Shi, Yazhou; Wang, Fenghua

2015-01-01

Beyond the "traditional" functions such as gene storage, transport and protein synthesis, recent discoveries reveal that RNAs have important "new" biological functions including the RNA silence and gene regulation of riboswitch. Such functions of noncoding RNAs are strongly coupled to the RNA structures and proper structure change, which naturally leads to the RNA folding problem including structure prediction and folding kinetics. Due to the polyanionic nature of RNAs, RNA folding structure, stability and kinetics are strongly coupled to the ion condition of solution. The main focus of this chapter is to review the recent progress in the three major aspects in RNA folding problem: structure prediction, folding kinetics and ion electrostatics. This chapter will introduce both the recent experimental and theoretical progress, while emphasize the theoretical modelling on the three aspects in RNA folding.

Tunable Photonic Band Gap of PS-b-P2VP Lamellar Film Using Metal Ions and pH Gradation.

Science.gov (United States)

Baek, Young-Bin; Choi, Soo-Hyung; Shin, Dong-Myung

2015-02-01

Optical properties of photonic crystal film were investigated by tuning photonic band gap (PBG). The lamellar-forming photonic films were prepared by nearly symmetric poly(styrene-b-2-vinyl pyridine) (PS-b-P2VP) block copolymers. Molecular weight of PS block and P2VP block is 52 kg/mol, and 57 kg/mol, respectively. When submerged in water, the lamellar films were swollen and show Bragg reflection in visible light region. We observed that the reflection color can be tuned by ion concentration (e.g., hydrogen or metal ion) in water. The higher concentration of hydrogen ion in solution, the longer reflectance wavelength shifted (from 537 nm to 743 nm). In addition, max-reflectance wavelength is dependent on both metal ion and the concentration. The max-reflectance wavelength is shifted from 653 nm (i.e., in water without ion) to 430 nm, 465 nm, and 505 nm for 120 mM of Ca2+, Fe2+, and Cu2+, respectively. Therefore, we can control the photonic band gap of photonic devices by changing the condition of swelling solution.

Uptake of perfluorinated alkyl acids by hydroponically grown lettuce (Lactuca sativa).

Science.gov (United States)

Felizeter, Sebastian; McLachlan, Michael S; de Voogt, Pim

2012-11-06

An uptake study was carried out to assess the potential human exposure to perfluorinated alkyl acids (PFAAs) through the ingestion of vegetables. Lettuce (Lactuca sativa) was grown in PFAA-spiked nutrient solutions at four different concentrations, ranging from 10 ng/L to 10 μg/L. Eleven perfluorinated carboxylic acids (PFCAs) and three perfluorinated sulfonic acids (PFSAs) were analyzed by HPLC-MS/MS. At the end of the experiment, the major part of the total mass of each of the PFAAs (except the short-chain, C4-C7, PFCAs) taken up by plants appeared to be retained in the nonedible part, viz. the roots. Root concentration factors (RCF), foliage/root concentration factors (FRCF), and transpiration stream concentration factors (TSCF) were calculated. For the long chained PFAAs, RCF values were highest, whereas FRCF were lowest. This indicates that uptake by roots is likely governed by sorption of PFAAs to lipid-rich root solids. Translocation from roots to shoots is restricted and highly depending on the hydrophobicity of the compounds. Although the TSCF show that longer-chain PFCAs (e.g., perfluorododecanoic acid) get better transferred from the nutrient solution to the foliage than shorter-chain PFCAs (e.g., perfluoroheptanoic acid), the major fraction of longer-chain PFCAs is found in roots due to additional adsorption from the spiked solution. Due to the strong electron-withdrawing effect of the fluorine atoms the role of the negative charge of the dissociated PFAAs is likely insignificant.

Solution-grown organic single-crystalline p-n junctions with ambipolar charge transport.

Science.gov (United States)

Fan, Congcheng; Zoombelt, Arjan P; Jiang, Hao; Fu, Weifei; Wu, Jiake; Yuan, Wentao; Wang, Yong; Li, Hanying; Chen, Hongzheng; Bao, Zhenan

2013-10-25

Organic single-crystalline p-n junctions are grown from mixed solutions. First, C60 crystals (n-type) form and, subsequently, C8-BTBT crystals (p-type) nucleate heterogeneously on the C60 crystals. Both crystals continue to grow simultaneously into single-crystalline p-n junctions that exhibit ambipolar charge transport characteristics. This work provides a platform to study organic single-crystalline p-n junctions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular Dynamics Study on Nucleation Behavior and Lamellar Mergence of Polyethylene Globule Crystallization

Science.gov (United States)

Yang, Xiaozhen; Wang, Simiao

2012-02-01

The site order parameter (SOP) has been adopted to analyze various order structure formation and distribution during the crystallization of a multi-chain polyethylene globule simulated by molecular dynamics. We found that the nucleation relies on crystallinity fluctuation with increase of amplitude, and the baby nucleus in the fluctuation suddenly appears with different shape and increasing size. In the growth stage, a number of lamellar mergence was observed and their selective behaviors were suggested to be related to the orientation difference between the merging lamellae. We obtained that SOP distribution of all atoms in the system during crystallization appears with two peaks: one for the amorphous phase and the other for the crystalline phase. Mesomorphic structures with medium orders locate between the two peaks as an order promotion pathway. Obtained data show that the medium order structure fluctuates at the growth front and does not always be available; the medium order structure existing at the front is not always good for developing. It is possibly caused by chain entanglement.

Mechanical behavior and related microstructural aspects of a nano-lamellar TiAl alloy at elevated temperatures

International Nuclear Information System (INIS)

Klein, T.; Usategui, L.; Rashkova, B.; Nó, M.L.; San Juan, J.; Clemens, H.; Mayer, S.

2017-01-01

Advanced intermetallic γ-TiAl based alloys, which solidify via the disordered β phase, such as the TNM"+ alloy, are considered as most promising candidates for structural applications at high temperatures in aero and automotive industries, where they are applied increasingly. Particularly creep resistant microstructures required for high-temperature application, i.e. fine fully lamellar microstructures, can be attained via two-step heat-treatments. Thereby, an increasing creep resistance is observed with decreasing lamellar interface spacing. Once lamellar structures reach nano-scaled dimensions, deformation mechanisms are altered dramatically. Hence, this study deals with a detailed characterization of the elevated temperature deformation phenomena prevailing in nano-lamellar TiAl alloys by the use of tensile creep experiments and mechanical spectroscopy. Upon creep exposure, microstructural changes occur in the lamellar structure, which are analyzed by the comparative utilization of X-ray diffraction, scanning and transmission electron microscopy as well as atom probe tomography. Creep activation parameters determined by mechanical characterization suggest the dominance of dislocation climb by a jog-pair formation process. The dislocations involved in deformation are, in nano-lamellar TiAl alloys, situated at the lamellar interfaces. During creep exposure the precipitation of β_o phase and ζ-silicide particles is observed emanating from the α_2 phase, which is due to the accumulation of Mo and Si at lamellar interfaces.

Side-chain tunability of furan-containing low-band-gap polymers provides control of structural order in efficient solar cells

KAUST Repository

Yiu, Alan T.; Beaujuge, Pierre; Lee, Olivia P.; Woo, Claire; Toney, Michael F.; Frechet, Jean

2012-01-01

The solution-processability of conjugated polymers in organic solvents has classically been achieved by modulating the size and branching of alkyl substituents appended to the backbone. However, these substituents impact structural order and charge transport properties in thin-film devices. As a result, a trade-off must be found between material solubility and insulating alkyl content. It was recently shown that the substitution of furan for thiophene in the backbone of the polymer PDPP2FT significantly improves polymer solubility, allowing for the use of shorter branched side chains while maintaining high device efficiency. In this report, we use PDPP2FT to demonstrate that linear alkyl side chains can be used to promote thin-film nanostructural order. In particular, linear side chains are shown to shorten π-π stacking distances between backbones and increase the correlation lengths of both π-π stacking and lamellar spacing, leading to a substantial increase in the efficiency of bulk heterojunction solar cells. © 2011 American Chemical Society.

Side-chain tunability of furan-containing low-band-gap polymers provides control of structural order in efficient solar cells

KAUST Repository

Yiu, Alan T.

2012-02-01

The solution-processability of conjugated polymers in organic solvents has classically been achieved by modulating the size and branching of alkyl substituents appended to the backbone. However, these substituents impact structural order and charge transport properties in thin-film devices. As a result, a trade-off must be found between material solubility and insulating alkyl content. It was recently shown that the substitution of furan for thiophene in the backbone of the polymer PDPP2FT significantly improves polymer solubility, allowing for the use of shorter branched side chains while maintaining high device efficiency. In this report, we use PDPP2FT to demonstrate that linear alkyl side chains can be used to promote thin-film nanostructural order. In particular, linear side chains are shown to shorten π-π stacking distances between backbones and increase the correlation lengths of both π-π stacking and lamellar spacing, leading to a substantial increase in the efficiency of bulk heterojunction solar cells. © 2011 American Chemical Society.

Single-Chain Conformation for Interacting Poly(N-isopropylacrylamide in Aqueous Solution

Directory of Open Access Journals (Sweden)

Boualem Hammouda

2015-04-01

Full Text Available The demixing phase behavior of Poly(N-isopropylacrylamide (PNIPAM aqueous solution is investigated using small-angle neutron scattering. This polymer phase separates upon heating and demixes around 32 °C. The pre-transition temperature range is characterized by two scattering modes; a low-Q (large-scale signal and a high-Q dissolved chains signal. In order to get insight into this pre-transition region, especially the origin of the low-Q (large-scale structure, the zero average contrast method is used in order to isolate single-chain conformations even in the demixing polymers transition region. This method consists of measuring deuterated and non-deuterated polymers dissolved in mixtures of deuterated and non-deuterated water for which the polymer scattering length density matches the solvent scattering length density. A fixed 4% polymer mass fraction is used in a contrast variation series where the d-water/h-water fraction is varied in order to determine the match point. The zero average contrast (match point sample displays pure single-chain scattering with no interchain contributions. Our measurements prove that the large scale structure in this polymer solution is due to a transient polymer network formed through hydrophobic segment-segment interactions. Scattering intensity increases when the temperature gets close to the phase boundary. While the apparent radius of gyration increases substantially at the Lower Critical Solution Temperature (LCST transition due to strong interchain correlation, the single-chain true radius of gyration has been found to decrease slightly with temperature when approaching the transition.

From single Debye-Hückel chains to polyelectrolyte solutions: Simulation results

Science.gov (United States)

Kremer, Kurt

1996-03-01

This lecture will present results from simulations of single weakly charged flexible chains, where the electrostatic part of the interaction is modeled by a Debye-Hückel potential,( with U. Micka, IFF, Forschungszentrum Jülich, 52425 Jülich, Germany) as well as simulations of polyelectrolyte solutions, where the counterions are explicitly taken into account( with M. J. Stevens, Sandia Nat. Lab., Albuquerque, NM 87185-1111) ( M. J. Stevens, K. Kremer, JCP 103), 1669 (1995). The first set of the simulations is meant to clear a recent contoversy on the dependency of the persistence length LP on the screening length Γ. While the analytic theories give Lp ~ Γ^x with either x=1 or x=2, the simulations find for all experimentally accessible chain lengths a varying exponent, which is significantly smaller than 1. This causes serious doubts on the applicability of this model for weakly charged polyelectrolytes in general. The second part deals with strongly charged flexible polyelectrolytes in salt free solution. These simulations are performed for multichain systems. The full Coulomb interactions of the monomers and counterions are treated explicitly. Experimental measurements of the osmotic pressure and the structure factor are reproduced and extended. The simulations reveal a new picture of the chain structure based on calculations of the structure factor, persistence length, end-to-end distance, etc. Even at very low density, the chains show significant bending. Furthermore, the chains contract significantly before they start to overlap. We also show that counterion condensation dramatically alters the chain structure, even for a good solvent backbone.

OPTIMAL SOLUTIONS FOR IMPLEMENTING THE SUPPLY-SALES CHAIN MANAGEMENT

Directory of Open Access Journals (Sweden)

Elena COFAS

2014-04-01

Full Text Available The supply chain represents all physical flows , information and financial flows linking suppliers and customers. It leads on the one hand, the idea of the chain in which the various elements of an industrial production system are interrelated and secondly to a broad definition of supply (flow between plants, flow between a supplier and a customer, flow between two workstations etc.. For a number of enterprise managers, supply chain is a topic of major interest. In contrast, non-chain coordination, losses may result for the enterprise: obsolete inventory devaluation, impairment etc. Since the 1980’s, several companies came together in the same service all functions dealing logistic flow from supply to distribution, through production management and resource planning. At the same time it was developed the notion of “time" to expand these flows and to increase quality and reduce inventory. 1990’s promotes the trend of broadening the concept of integrated logistics to a more open organization, "supply chain" in which is contained the whole organization of the enterprise, designed around streams: sales, distribution, manufacturing, purchasing, and supply. This is the area where, through this work, I try to make a contribution towards finding practical solutions to implement an efficient supply chain that contribute to increased economic performance of companies.

Surfactant assisted synthesis of lamellar nanostructured LiFePO4 at 388 K

International Nuclear Information System (INIS)

Liu Chao; Ma Dongxia; Ji Xiujie; Zhao Shanshan; Li Song

2011-01-01

Lamellar nanostructured lithium iron phosphate (Lα-LFP) was synthesized using anion surfactant sodium dodecyl sulphonate (SDS) as supermolecular template in water-ethanol media at 388 K under self-generated pressure. FeSO 4 , (NH 4 ) 2 HPO 4 and LiOH were used as Fe, P and Li sources, respectively. The inorganic phase was analyzed by X-ray diffraction (XRD). The morphology and the lamellar nanostructure were observed by field emitting scanning electron microscopy (FESEM). The results showed that the synthesized Lα-LFP presents not only the ordered lamellar microstructure accumulated by 20-40-nm thick LFP layers, but also the consequent self-assembled blocky particles of 0.5-1 μm. In contrast, template free LFP (TF-LFP) show a flake-shaped and mess-orientated microstructure. As a soft template, SDS played the roles of inducing the lamellar nanostructure, purifying the inorganic phase and decreasing the synthesis temperature.

The influence of post-growth annealing on the optical properties of InAs quantum dot chains grown on pre-patterned GaAs(100)

International Nuclear Information System (INIS)

Hakkarainen, T V; Polojärvi, V; Schramm, A; Tommila, J; Guina, M

2012-01-01

We report on the effect of post-growth thermal annealing of [011]-, [01 1-bar ]-, and [010]-oriented quantum dot chains grown by molecular beam epitaxy on GaAs(100) substrates patterned by UV-nanoimprint lithography. We show that the quantum dot chains experience a blueshift of the photoluminescence energy, spectral narrowing, and a reduction of the intersubband energy separation during annealing. The photoluminescence blueshift is more rapid for the quantum dot chains than for self-assembled quantum dots that were used as a reference. Furthermore, we studied polarization resolved photoluminescence and observed that annealing reduces the intrinsic optical anisotropy of the quantum dot chains and the self-assembled quantum dots. (paper)

Chain segmentation for the Monte Carlo solution of particle transport problems

International Nuclear Information System (INIS)

Ragheb, M.M.H.

1984-01-01

A Monte Carlo approach is proposed where the random walk chains generated in particle transport simulations are segmented. Forward and adjoint-mode estimators are then used in conjunction with the firstevent source density on the segmented chains to obtain multiple estimates of the individual terms of the Neumann series solution at each collision point. The solution is then constructed by summation of the series. The approach is compared to the exact analytical and to the Monte Carlo nonabsorption weighting method results for two representative slowing down and deep penetration problems. Application of the proposed approach leads to unbiased estimates for limited numbers of particle simulations and is useful in suppressing an effective bias problem observed in some cases of deep penetration particle transport problems

Root exudation of phytosiderophores from soil-grown wheat

Science.gov (United States)

Oburger, Eva; Gruber, Barbara; Schindlegger, Yvonne; Schenkeveld, Walter D C; Hann, Stephan; Kraemer, Stephan M; Wenzel, Walter W; Puschenreiter, Markus

2014-01-01

For the first time, phytosiderophore (PS) release of wheat (Triticum aestivum cv Tamaro) grown on a calcareous soil was repeatedly and nondestructively sampled using rhizoboxes combined with a recently developed root exudate collecting tool. As in nutrient solution culture, we observed a distinct diurnal release rhythm; however, the measured PS efflux was c. 50 times lower than PS exudation from the same cultivar grown in zero iron (Fe)-hydroponic culture. Phytosiderophore rhizosphere soil solution concentrations and PS release of the Tamaro cultivar were soil-dependent, suggesting complex interactions of soil characteristics (salinity, trace metal availability) and the physiological status of the plant and the related regulation (amount and timing) of PS release. Our results demonstrate that carbon and energy investment into Fe acquisition under natural growth conditions is significantly smaller than previously derived from zero Fe-hydroponic studies. Based on experimental data, we calculated that during the investigated period (21–47 d after germination), PS release initially exceeded Fe plant uptake 10-fold, but significantly declined after c. 5 wk after germination. Phytosiderophore exudation observed under natural growth conditions is a prerequisite for a more accurate and realistic assessment of Fe mobilization processes in the rhizosphere using both experimental and modeling approaches. PMID:24890330

Giardia telomeric sequence d(TAGGG)4 forms two intramolecular G-quadruplexes in K+ solution: effect of loop length and sequence on the folding topology.

Science.gov (United States)

Hu, Lanying; Lim, Kah Wai; Bouaziz, Serge; Phan, Anh Tuân

2009-11-25

Recently, it has been shown that in K(+) solution the human telomeric sequence d[TAGGG(TTAGGG)(3)] forms a (3 + 1) intramolecular G-quadruplex, while the Bombyx mori telomeric sequence d[TAGG(TTAGG)(3)], which differs from the human counterpart only by one G deletion in each repeat, forms a chair-type intramolecular G-quadruplex, indicating an effect of G-tract length on the folding topology of G-quadruplexes. To explore the effect of loop length and sequence on the folding topology of G-quadruplexes, here we examine the structure of the four-repeat Giardia telomeric sequence d[TAGGG(TAGGG)(3)], which differs from the human counterpart only by one T deletion within the non-G linker in each repeat. We show by NMR that this sequence forms two different intramolecular G-quadruplexes in K(+) solution. The first one is a novel basket-type antiparallel-stranded G-quadruplex containing two G-tetrads, a G x (A-G) triad, and two A x T base pairs; the three loops are consecutively edgewise-diagonal-edgewise. The second one is a propeller-type parallel-stranded G-quadruplex involving three G-tetrads; the three loops are all double-chain-reversal. Recurrence of several structural elements in the observed structures suggests a "cut and paste" principle for the design and prediction of G-quadruplex topologies, for which different elements could be extracted from one G-quadruplex and inserted into another.

Diffusion of chains in a periodic potential

Science.gov (United States)

Terranova, G. R.; Mártin, H. O.; Aldao, C. M.

2017-09-01

We studied the diffusion of 1D rigid chains in a square wave potential of period T. We considered chains of type A (composed of N particles A) and chains of type A-B (composed of N/2 particles A and N/2 particles B). The square wave potential represents domains, a lamellar structure observed for block copolymers, in which the repulsive δ energy between each A particle (B particle) of the chain and B particles (A particles) of the medium where the chains diffuse. From Monte Carlo simulations and analytical results it is found that the normalized diffusivity D, for N\\ll T , presents a universal behavior as a function of X  =  Nδ for chains of type A and X  =  (Nδ  -  lnT 2) for chains of type A-B, with and exponential decay for large values of X. For fixed values of δ and T, D is a periodic function of N with period T and 2T for chains of type A and type A-B, respectively.

Analysis of Lamellar Structures with Application of Generalized Functions

Directory of Open Access Journals (Sweden)

Kipiani Gela

2016-12-01

Full Text Available Theory of differential equations in respect of the functional area is based on the basic concepts on generalized functions and splines. There are some basic concepts related to the theory of generalized functions and their properties are considered in relation to the rod systems and lamellar structures. The application of generalized functions gives the possibility to effectively calculate step-variable stiffness lamellar structures. There are also widely applied structures, in that several in which a number of parallel load bearing layers are interconnected by discrete-elastic links. For analysis of system under study, such as design diagrams, there are applied discrete and discrete-continual models.

Magnetic properties of lamellar tetrataenite in Toluca iron meteorite

International Nuclear Information System (INIS)

Funaki, Minoru; Nagata, Takesi; Danon, J.

1985-01-01

Magnetic studies were conducted using lamellar tetrataenite extracted from the Toluca octahedrite by a diluted HCl etching technique. Natural remanent magnetization (NRM) in the lamellae is very stable against AF demagnetization and is quite intense, ranging from 2.58 to 37.42 x10 -2 emu/g. This NRM is completely demagnetized thermally at about 550 0 C. The most characteristic change in magnetic properties on heating to about 550 C 0 is a significant decrease in magnetic coercivity. This observation is consistent with the results obtained from chondrites. The paramagnetic component in lamellar tetrataenite, which is estimated by Moessbauer spectrum analyses, was not detected by conventional magnetic studies. (Author) [pt

Selection of G-quadruplex folding topology with LNA-modified human telomeric sequences in K+ solution

DEFF Research Database (Denmark)

Pradhan, Devranjan; Hansen, Lykke H; Vester, Birte

2011-01-01

G-rich nucleic acid oligomers can form G-quadruplexes built by G-tetrads stacked upon each other. Depending on the nucleotide sequence, G-quadruplexes fold mainly with two topologies: parallel, in which all G-tracts are oriented parallel to each other, or antiparallel, in which one or more G......-tracts are oriented antiparallel to the other G-tracts. In the former topology, all glycosidic bond angles conform to anti conformations, while in the latter topology they adopt both syn and anti conformations. It is of interest to understand the molecular forces that govern G-quadruplex folding. Here, we approach...... this problem by examining the impact of LNA (locked nucleic acid) modifications on the folding topology of the dimeric model system of the human telomere sequence. In solution, this DNA G-quadruplex forms a mixture of G-quadruplexes with antiparallel and parallel topologies. Using CD and NMR spectroscopies, we...

Strengthening behavior of beta phase in lamellar microstructure of TiAl alloys

Science.gov (United States)

Zhu, Hanliang; Seo, D. Y.; Maruyama, K.

2010-01-01

β phase can be introduced to TiAl alloys by the additions of β stabilizing elements such as Cr, Nb, W, and Mo. The β phase has a body-centered cubic lattice structure and is softer than the α2 and γ phases in TiAl alloys at elevated temperatures, and hence is thought to have a detrimental effect on creep strength. However, fine β precipitates can be formed at lamellar interfaces by proper heat treatment conditions and the β interfacial precipitate improves the creep resistance of fully lamellar TiAl alloys, since the phase interface of γ/β retards the motion of dislocations during creep. This paper reviews recent research on high-temperature strengthening behavior of the β phase in fully lamellar TiAl alloys.

Quantitative analysis of lamellar bodies in amniotic fluid as fetal pulmonary maturity indicator

Directory of Open Access Journals (Sweden)

Ljubić Vesna

2009-01-01

Full Text Available Background/Aim. Although lamellar bodies have been the center of interest over the last years, the published results of fetal pulmonary maturity determination according to their concentration in amniotic fluid are controversial. The aim of this study was to determine the significance of lamellar bodies, as well as the ratio lecithin/sphingomyelin (L/S in amniotic fluid for the assessment of fetal pulmonary maturity. Methods. This prospective 2-year study included 102 female examinees, ranging from 17 to 44 years of age, in whom lamellar bodies concentrations in amniotic fluid were determined to check the efficacy of the applied therapy for obtaining arteficial fetal pulmonary maturity. The shake test was applied as a comparative test for determining a quantitative L/S ratio. To determine a fetus maturity and development stage we followed up biparietal diameter, abdominal circumference, femure length, ponderal index at birth and body mass. Results. Out of a total of 102 amniocenteses within a period from 26th to 40th gestation week only 70 results were considered due to 32 unknown neonatal outcomes. Biparietal diameter was 224-362 mm, femur length 56 - 78 mm, ponderal index 1.22-2.84, fetus body mass 1300- 4 350 g. There was found a significant relation between gestation age and lamellar bodies concentration (R = 0.396398, p < 0.01, as well as between gestation age and the ratio L/S (R = 0.691297, p < 0.01. Also, there was a significant correlation of lamellar bodies concentration to the ratio L/S determined (R = 0.493609, p < 0.01. Conclusion. Determination of lamellar bodies concentration values is a reliable method to confirm fetal pulmonary maturity.

Whole-body nitrogen and tyrosine metabolism in surgical patients receiving branched-chain amino acid solutions

International Nuclear Information System (INIS)

Desai, S.P.; Bistrian, B.R.; Moldawer, L.L.; Blackburn, G.L.

1985-01-01

Fifteen patients undergoing gastric bypass surgery for morbid obesity received preoperatively a standard crystalline amino acid solution containing 15.6% branched-chain amino acids. During the first five postoperative days, the patients were randomized to receive one of three amino acid solutions of different branched-chain amino acid content. Whole-body amino acid appearance and oxidation were estimated using a continuous intravenous infusion of L-(U- 14 C)-tyrosine preoperatively and on the third postoperative day. This study suggests that an adequate nitrogen intake of a balanced amino acid mixture, as well as a solution enriched with branched-chain amino acids, maintains protein homeostasis and supports protein synthesis similarly in well-nourished patients following major abdominal surgery. A diet containing only branched-chain amino acids in isomolar ratios was as effective at maintaining protein retention and whole-body protein synthesis and albumin renewal postoperatively when compared with a standard amino acid formula

Butterfly patterns in a sheared lamellar-system

Energy Technology Data Exchange (ETDEWEB)

Lindner, P [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); Zipfel, J; Richtering, W [Freiburg Univ. (Germany)

1997-04-01

A technologically important extension of `classical` scattering techniques is to investigate soft-matter systems under non-equilibrium conditions. Shear flow is known to have a profound influence on the structure and orientation of complex fluids like thermotropic or lyotropic liquid-crystals, colloidal and polymeric solutions. There is a fundamental interest in understanding the microscopic structure and dynamics of such complex fluids as the macroscopic material properties might change with the application of an external perturbation like shear. The following example illustrates a recent study of the influence of shear on the structure of a lyotropic lamellar phase. Results using a cone-and-plate and the ILL Couette type shear-cell were obtained by rheo-small-angle light scattering (rheo-SALS) and small-angle neutron scattering (SANS) at D11. Because of the broad range of momentum transfer Q available at D11 a characteristic butterfly-pattern with a scattering peak revealing both the structure and the supramolecular structure of the system could be detected at very low Q. (author). 5 refs.

Conductivity of an inverse lyotropic lamellar phase under shear flow

Science.gov (United States)

Panizza, P.; Soubiran, L.; Coulon, C.; Roux, D.

2001-08-01

We report conductivity measurements on solutions of closed compact monodisperse multilamellar vesicles (the so-called ``onion texture'') formed by shearing an inverse lyotropic lamellar Lα phase. The conductivity measured in different directions as a function of the applied shear rate reveals a small anisotropy of the onion structure due to the existence of free oriented membranes. The results are analyzed in terms of a simple model that allows one to deduce the conductivity tensor of the Lα phase itself and the proportion of free oriented membranes. The variation of these two parameters is measured along a dilution line and discussed. The high value of the conductivity perpendicular to the layers with respect to that of solvent suggests the existence of a mechanism of ionic transport through the insulating solvent.

Novel scenario of the folding transition of a single chain

International Nuclear Information System (INIS)

Yoshikawa, Kenichi; Yoshinaga, Natsuhiko

2005-01-01

Unique characteristics of a single polymer chain with the effects of stiffness and charge are discussed. It has been well established that a flexible polymer chain undergoes a continuous transition from an elongated coil to a compact globule, corresponding to the transition between disordered gas-like and disordered liquid-like states. Here, we will show that a semiflexible chain exhibits a discrete transition from coil to compact states, corresponding to a disorder-order transition to an ordered crystalline state. We will propose a novel strategy to obtain various kinds of nano-ordered structures from single chains connecting a pair of chains of different stiffness. We will also discuss the effect of charge, putting emphasis on intramolecular segregation in a single polyelectrolyte chain

Modeling creep deformation of a two-phase TiAI/Ti3Al alloy with a lamellar microstructure

Science.gov (United States)

Bartholomeusz, Michael F.; Wert, John A.

1994-10-01

A two-phase TiAl/Ti3Al alloy with a lamellar microstructure has been previously shown to exhibit a lower minimum creep rate than the minimum creep rates of the constituent TiAl and Ti3Al single-phase alloys. Fiducial-line experiments described in the present article demonstrate that the creep rates of the constituent phases within the two-phase TiAl/Ti3Al lamellar alloy tested in compression are more than an order of magnitude lower than the creep rates of single-phase TiAl and Ti3Al alloys tested in compression at the same stress and temperature. Additionally, the fiducial-line experiments show that no interfacial sliding of the phases in the TiAl/Ti3Al lamellar alloy occurs during creep. The lower creep rate of the lamellar alloy is attributed to enhanced hardening of the constituent phases within the lamellar microstructure. A composite-strength model has been formulated to predict the creep rate of the lamellar alloy, taking into account the lower creep rates of the constituent phases within the lamellar micro-structure. Application of the model yields a very good correlation between predicted and experimentally observed minimum creep rates over moderate stress and temperature ranges.

Divorcing folding from function: how acylation affects the membrane-perturbing properties of an antimicrobial peptide

DEFF Research Database (Denmark)

Vad, Brian Stougaard; Thomsen, Line Aagot Hede; Bertelsen, Kresten

2010-01-01

Many small cationic peptides, which are unstructured in aqueous solution, have antimicrobial properties. These properties are assumed to be linked to their ability to permeabilize bacterial membranes, accompanied by the transition to an alpha-helical folding state. Here we show that there is no d......Many small cationic peptides, which are unstructured in aqueous solution, have antimicrobial properties. These properties are assumed to be linked to their ability to permeabilize bacterial membranes, accompanied by the transition to an alpha-helical folding state. Here we show...... that there is no direct link between folding of the antimicrobial peptide Novicidin (Nc) and its membrane permeabilization. N-terminal acylation with C8-C16 alkyl chains and the inclusion of anionic lipids both increase Nc's ability to form alpha-helical structure in the presence of vesicles. Nevertheless, both acylation......, this cannot rationalize our results since permeabilization and antimicrobial activities are observed well below concentrations where aggregation occurs. This suggests that significant induction of alpha-helical structure is not a prerequisite for membrane perturbation in this class of antimicrobial peptides...

Monte Carlo simulation and equation of state for flexible charged hard-sphere chain fluids: Polyampholyte and polyelectrolyte solutions

International Nuclear Information System (INIS)

Jiang, Hao; Adidharma, Hertanto

2014-01-01

The thermodynamic modeling of flexible charged hard-sphere chains representing polyampholyte or polyelectrolyte molecules in solution is considered. The excess Helmholtz energy and osmotic coefficients of solutions containing short polyampholyte and the osmotic coefficients of solutions containing short polyelectrolytes are determined by performing canonical and isobaric-isothermal Monte Carlo simulations. A new equation of state based on the thermodynamic perturbation theory is also proposed for flexible charged hard-sphere chains. For the modeling of such chains, the use of solely the structure information of monomer fluid for calculating the chain contribution is found to be insufficient and more detailed structure information must therefore be considered. Two approaches, i.e., the dimer and dimer-monomer approaches, are explored to obtain the contribution of the chain formation to the Helmholtz energy. By comparing with the simulation results, the equation of state with either the dimer or dimer-monomer approach accurately predicts the excess Helmholtz energy and osmotic coefficients of polyampholyte and polyelectrolyte solutions except at very low density. It also well captures the effect of temperature on the thermodynamic properties of these solutions

Prevention of vocal fold scarring by local application of basic fibroblast growth factor in a rat vocal fold injury model.

Science.gov (United States)

Suzuki, Ryo; Kawai, Yoshitaka; Tsuji, Takuya; Hiwatashi, Nao; Kishimoto, Yo; Tateya, Ichiro; Nakamura, Tatsuo; Hirano, Shigeru

2017-02-01

Vocal fold scarring, which causes severe hoarseness, is intractable. The optimal treatment for vocal fold scarring has not been established; therefore, prevention of scarring is important. The aim of this study was to clarify the effectiveness of basic fibroblast growth factor (bFGF) for prevention of postsurgical vocal fold scarring. Prospective animal experiments with controls. The vocal folds of Sprague-Dawley rats were injured unilaterally or bilaterally after local application of a 10 μL solution of bFGF. Larynges ware harvested for histological and immunohistochemical examination 2 months postoperation and for quantitative real-time polymerase chain reaction (qRT-PCR) analysis 1 week postoperation. Histological examination showed significantly increased hyaluronic acid and decreased deposition of dense collagen in the bFGF-treated group at 100 ng/10 μL compared with the sham-treated group. Immunohistochemical examination showed significantly decreased collagen type III deposition in the bFGF-treated group at 100 ng/10 μL compared with the sham-treated group. qRT-PCR revealed that hyaluronan synthase 2 (Has2), Has3, and hepatocyte growth factor were upregulated in bFGF-treated groups compared with sham-treated group. The current results suggest that local application of bFGF at the time of injury has the potential to prevent vocal fold scarring. Preventive injection of bFGF could be applied at the time of phonomicrosurgery to avoid postoperative scar formation. N/A. Laryngoscope, 2016 127:E67-E74, 2017. © 2016 The American Laryngological, Rhinological and Otological Society, Inc.

Lamellar ichthyosis (collodian baby with severe bilateral ectropion

Directory of Open Access Journals (Sweden)

Boparai M

1988-01-01

Full Text Available A case of lamellar ichthyosis (collodian baby, is being reported. Skin biopsy has confirmed the diagnosis. Severe bilateral ectropion of thee eyelids was the prominent feature. Management of such cases has been briefly discussed.

Micro alloyed steel weldability and sensibility testing on the lamellar cracks appearance

Directory of Open Access Journals (Sweden)

S. Stojadinović

2011-07-01

Full Text Available In this work are given the testing results of mechanical properties welded joints and microstructure of micro alloyed steel as well as its sensitivity to lamellar cracks appearance. The obtained results show that steel has good resistance to lamellar cracks appearance and with an appropriate wire choice for welding, a good combination of mechanical properties could be obtained at room (ambience temperatures as well as at low temperatures.

A structural study of lamellar phases formed by nucleoside-functionalized lipids

CERN Document Server

Berti, D; Baglioni, P; Dante, S; Hauss, T

2002-01-01

We report a neutron-scattering investigation of lamellar phases formed by novel phospholipids bearing nucleosides at the polar-head-group region. These nucleolipids can interact through stacking and H-bond interactions, following a pattern that resembles base-base coupling in natural nucleic acids (DNA, RNA), i.e. they have similar recognition properties. Bilayer stacks formed of DPP-adenosine, DPP-uridine and their 1:1 mixture were investigated after equilibration in a 98% relative humidity atmosphere. The DPP-adenosine spectrum can be accounted for (in analogy to DPPC) by a lamellar phase with a smectic period of about 60 A. DPP-uridine displays a not so straightforward behavior that we have tentatively ascribed to the coexistence of lamellae with different smectic periods. In the 1:1 mixture the lamellar mesophase of DPP-uridine is retained, suggesting a specific interaction of the uridine polar-head group with the adenosine moiety of DPP-adenosine. It should be stressed that this behavior can be considere...

Synthesis of side-chain polystyrenes for all organic solution processed OLEDs

OpenAIRE

Lorente Sánchez, Alejandro Jose (Dr.)

2017-01-01

In the present work side-chain polystyrenes were synthesized and characterized, in order to be applied in multilayer OLEDs fabricated by solution process techniques. Manufacture of optoelectronic devices by solution process techniques is meant to decrease significantly fabrication cost and allow large scale production of such devices. This dissertation focusses in three series, enveloped in two material classes. The two classes differ to each other in the type of charge transport exhibited...

In-Situ TEM Study of Interface Sliding and Migration in an Ultrafine Lamellar Structure

Energy Technology Data Exchange (ETDEWEB)

Hsiung, L M

2005-12-06

The instability of interfaces in an ultrafine TiAl-({gamma})/Ti{sub 3}Al-({alpha}{sub 2}) lamellar structure by straining at room temperature has been investigated using in-situ straining techniques performed in a transmission electron microscope. The purpose of this study is to obtain experimental evidence to support the creep mechanisms based upon the interface sliding in association with a cooperative movement of interfacial dislocations previously proposed to interpret the nearly linear creep behavior observed from ultrafine lamellar TiAl alloys. The results have revealed that both the sliding and migration of lamellar interfaces can take place simultaneously as a result of the cooperative movement of interfacial dislocations.

How do closed-compact multi-lamellar droplets form under shear flow? A possible mechanism

Science.gov (United States)

Courbin, L.; Pons, R.; Rouch, J.; Panizza, P.

2003-01-01

The formation of closed-compact multi-lamellar droplets obtained upon shearing both a lamellar phase (Lα) and a two-phase separated lamellar-sponge (Lα-L3) mixture is investigated as a function of the shear rate dot gamma, using small-angle light scattering (SALS) and cross-polarized optical microscopy. In both systems the formation of droplets occurs homogeneously in the cell at a well-defined wave vector qe propto dot gamma1/3 via a strain-controlled process. These results suggest that the formation of droplets may be monitored in both systems by a buckling instability of the lamellae as predicted from a recent theory.

Synthesis and solution self-assembly of side-chain cobaltocenium-containing block copolymers.

Science.gov (United States)

Ren, Lixia; Hardy, Christopher G; Tang, Chuanbing

2010-07-07

The synthesis of side-chain cobaltocenium-containing block copolymers and their self-assembly in solution was studied. Highly pure monocarboxycobaltocenium was prepared and subsequently attached to side chains of poly(tert-butyl acrylate)-block-poly(2-hydroxyethyl acrylate), yielding poly(tert-butyl acrylate)-block-poly(2-acryloyloxyethyl cobaltoceniumcarboxylate). The cobaltocenium block copolymers exhibited vesicle morphology in the mixture of acetone and water, while micelles of nanotubes were formed in the mixture of acetone and chloroform.

Simulation study of the initial crystallization processes of poly(3-hexylthiophene) in solution: ordering dynamics of main chains and side chains.

Science.gov (United States)

Takizawa, Yuumi; Shimomura, Takeshi; Miura, Toshiaki

2013-05-23

We study the initial nucleation dynamics of poly(3-hexylthiophene) (P3HT) in solution, focusing on the relationship between the ordering process of main chains and that of side chains. We carried out Langevin dynamics simulation and found that the initial nucleation processes consist of three steps: the ordering of ring orientation, the ordering of main-chain vectors, and the ordering of side chains. At the start, the normal vectors of thiophene rings aligned in a very short time, followed by alignment of main-chain end-to-end vectors. The flexible side-chain ordering took almost 5 times longer than the rigid-main-chain ordering. The simulation results indicated that the ordering of side chains was induced after the formation of the regular stack structure of main chains. This slow ordering dynamics of flexible side chains is one of the factors that cause anisotropic nuclei growth, which would be closely related to the formation of nanofiber structures without external flow field. Our simulation results revealed how the combined structure of the planar and rigid-main-chain backbones and the sparse flexible side chains lead to specific ordering behaviors that are not observed in ordinary linear polymer crystallization processes.

Association between lamellar body count and respiratory distress in neonates

International Nuclear Information System (INIS)

Bahasadri, Shoreh; Changizi, Nasrin

2005-01-01

Assessment of fetal lung maturity by a simple and rapid test has a pivotal role in obstetric managements. Lack of modern laboratory techniques in our country made US investigate whether lamellar body count (Lb) can be applied efficiently in the evaluation of fetal lung maturity. Lamellar body count was assessed in 104 un spun amniotic fluid samples taken from pregnant women admitted at A kbar Aba di Hospital, Tehran, Iran between May 2003 and November 2003 whose fetuses were at risk for respiratory distress syndrome (RDS). Cut-off points for LBC were determined to evaluate the risk of RDS. Standard clinical and radiographic criteria were used to diagnose RDS. An LBC of less than 10,000 was 99.1% specific for lung immaturity (positive predictive value = 99.1%, negative predictive value = 83.5%). The LBCs of greater than 45,000 eliminates RDS (negative predictive value = 98.9%). Lamellar body count is an easy, rapid and cost-effective test to assess fetal lung maturity in high-risk fetuses. Using the cut-off points of 10,000 and 45,000, LBC can serve as the first screening test of fetal lung maturity. (author)

Chain propagator, mass, and universality in polymer solutions from Brownian relativity

International Nuclear Information System (INIS)

Mezzasalma, Stefano A.

2005-01-01

A Lagrangian theory for single chains in polymer solutions is addressed via a recent Brownian relativity. By employing generalized diffusive coordinates, statements of covariance and diffusivity invariance result into free particle Lagrangians, where mass turns out to rise as a universal spacetime property. It descends from lowering diffusivity (or curving spacetime), so identifying a mechanism which conceptually resemble those ruling macromolecular scaling laws. An extended chain propagator recovers the Gaussian end-to-end distribution and, in the limits of time-like and space-like orbits, the dualism for diffusive paths and polymer random-walks

Creep characteristics of a hypoeutectic Mg-Ca binary alloy with a near-fully lamellar microstructure

International Nuclear Information System (INIS)

Terada, Yoshihiro; Tsukahara, Masashi; Shibayama, Atsushi; Murata, Yoshinori; Morinaga, Masahiko

2011-01-01

Highlights: → We develop a hypoeutectic Mg-Ca cast alloy with a near-fully lamellar microstructure. → Dislocations are introduced within the lamellar microstructure during casting. → The dislocation segments in the α-Mg plates are located on the basal planes. → Creep of the alloy is ascribed to the easy glide of the introduced dislocations. -- The creep behavior of a hypoeutectic Mg-14.8 mass% Ca cast alloy with an α-Mg/C14-Mg 2 Ca near-fully lamellar microstructure was investigated at 473 K. Transmission electron microscopy shows that dislocations are introduced within the lamellar microstructure of the alloy during casting; the dislocation segments in the α-Mg plates are located on basal planes. The stress exponent of the creep rate is unity in the early stage of transient creep. Creep deformation of the alloy is ascribed to the easy glide of the introduced dislocations.

A Case Report of Ichthyosis Lamellar Syndrome

Directory of Open Access Journals (Sweden)

Gh. Eshghi

2014-04-01

Full Text Available Introduction: Ichthyosis lamellar syndrome is a rare genodermatosis and in most families is inherited as an autosomal recessive trait because of transglutaminase-1 deficiency. Case Report: Our patient was a 6 year old girl and she was the result of consanguinity. She had large plate-like scales. The scales had mosaic-like pattern and erythroderma was absent. Tautness of her facial skin was associated with ectropion and eclabion and hypoplasia of auricular cartilages. She had scarring alopecia because of taut skin (specially at the periphery of scalp. She also had palmoplantar keratoderma and secondary nail dystrophy and thanked nails. Her parents also gave us the history of heat intolerance and it is because of interaepi-dermal constriction of sweat ducts. Our patient had the history of recurrent ear infections and it is because of accumulation of scales in the external ear. Conclusion: Our patient underwent a biopsy and based on our clinical findings her diagnosis was lamellar ichthyosis. (Sci J Hamadan Univ Med Sci 2014; 21 (1:76-79

Effects of two mutations detected in medium chain acyl-CoA dehydrogenase (MCAD)-deficient patients on folding, oligomer assembly, and stability of MCAD enzyme

DEFF Research Database (Denmark)

Bross, P; Jespersen, C; Jensen, T G

1995-01-01

We have used expression of human medium chain acyl-CoA dehydrogenase (MCAD) in Escherichia coli as a model system for dissecting the molecular effects of two mutations detected in patients with MCAD deficiency. We demonstrate that the R28C mutation predominantly affects polypeptide folding...

SALT-INDUCED TRANSITION FROM A MICELLAR TO A LAMELLAR LIQUID-CRYSTALLINE PHASE IN DILUTE MIXTURES OF ANIONIC AND NONIONIC SURFACTANTS IN AQUEOUS-SOLUTION

NARCIS (Netherlands)

SEIN, A; ENGBERTS, JBFN; VANDERLINDEN, E; VANDEPAS, JC

In dilute mixtures of anionic surfactant, sodium dodecylbenzenesulfonate (NaDoBS), and nonionic poly(ethylene oxide) alkyl monoether (C13-15E(7)) a transition from a micellar to a lamellar phase is found at high salting-out electrolyte (NaCit) concentrations. With an increase of the salt

Entropic formulation for the protein folding process: Hydrophobic stability correlates with folding rates

Science.gov (United States)

Dal Molin, J. P.; Caliri, A.

2018-01-01

Here we focus on the conformational search for the native structure when it is ruled by the hydrophobic effect and steric specificities coming from amino acids. Our main tool of investigation is a 3D lattice model provided by a ten-letter alphabet, the stereochemical model. This minimalist model was conceived for Monte Carlo (MC) simulations when one keeps in mind the kinetic behavior of protein-like chains in solution. We have three central goals here. The first one is to characterize the folding time (τ) by two distinct sampling methods, so we present two sets of 103 MC simulations for a fast protein-like sequence. The resulting sets of characteristic folding times, τ and τq were obtained by the application of the standard Metropolis algorithm (MA), as well as by an enhanced algorithm (Mq A). The finding for τq shows two things: (i) the chain-solvent hydrophobic interactions {hk } plus a set of inter-residues steric constraints {ci,j } are able to emulate the conformational search for the native structure. For each one of the 103MC performed simulations, the target is always found within a finite time window; (ii) the ratio τq / τ ≅ 1 / 10 suggests that the effect of local thermal fluctuations, encompassed by the Tsallis weight, provides to the chain an innate efficiency to escape from energetic and steric traps. We performed additional MC simulations with variations of our design rule to attest this first result, both algorithms the MA and the Mq A were applied to a restricted set of targets, a physical insight is provided. Our second finding was obtained by a set of 600 independent MC simulations, only performed with the Mq A applied to an extended set of 200 representative targets, our native structures. The results show how structural patterns should modulate τq, which cover four orders of magnitude; this finding is our second goal. The third, and last result, was obtained with a special kind of simulation performed with the purpose to explore a

A structural study of lamellar phases formed by nucleoside-functionalized lipids

Energy Technology Data Exchange (ETDEWEB)

Berti, D.; Fratini, E.; Baglioni, P. [Department of Chemistry and CSGI, University of Florence, Via G. Capponi 9, 50121 Florence (Italy); Dante, S.; Hauss, T. [Berlin Neutron Scattering Center, Hahn Meitner Institut, Glienicker Strasse 100, Wannsee, 14109 Berlin (Germany)

2002-07-01

We report a neutron-scattering investigation of lamellar phases formed by novel phospholipids bearing nucleosides at the polar-head-group region. These nucleolipids can interact through stacking and H-bond interactions, following a pattern that resembles base-base coupling in natural nucleic acids (DNA, RNA), i.e. they have similar recognition properties. Bilayer stacks formed of DPP-adenosine, DPP-uridine and their 1:1 mixture were investigated after equilibration in a 98% relative humidity atmosphere. The DPP-adenosine spectrum can be accounted for (in analogy to DPPC) by a lamellar phase with a smectic period of about 60 A. DPP-uridine displays a not so straightforward behavior that we have tentatively ascribed to the coexistence of lamellae with different smectic periods. In the 1:1 mixture the lamellar mesophase of DPP-uridine is retained, suggesting a specific interaction of the uridine polar-head group with the adenosine moiety of DPP-adenosine. It should be stressed that this behavior can be considered as an indication of the recognition process occurring at the polar-head-group region of the mixed phospholiponucleoside membrane. (orig.)

Structural studies of lamellar surfactant systems under shear

DEFF Research Database (Denmark)

Mortensen, K.

2001-01-01

Recent experimental studies on concentrated surfactant systems are reviewed. Particular attention is focused on the transformation from planar lamellar sheets to multilamellar vesicles. It is discussed whether both of these states are thermodynamic stable, or if the MLV is an artifact of shear in...

Surfing the free energy landscape of flavodoxin folding

NARCIS (Netherlands)

Bollen, Y.J.M.

2004-01-01

The research described in this thesis has been carried out to obtain a better understanding of the fundamental rules describing protein folding. Protein folding is the process in which a linear chain of amino acids contracts to a compact state in which it is active. Flavodoxin from Azotobacter

Effect of microstructure evolution of the lamellar alpha on impact toughness in a two-phase titanium alloy

International Nuclear Information System (INIS)

Xu, Jianwei; Zeng, Weidong; Zhao, Yawei; Jia, Zhiqiang

2016-01-01

The effects of the evolution of the lamellar alpha microstructure on the impact toughness of Ti-17 alloy are investigated. For this purpose, the beta-processed material is isothermally forged at 820 °C and subsequently heat treated using the combination of solid solution and aging treatment. Then the impact tests are carried out at room temperature. The corresponding microstructure and fracture surface are examined by scanning electron microscope (SEM). Microstructural observations reveal that globularization behavior is the main feature of microstructure evolution and the globularization fraction increases with the increasing of prestrain. However, globularization behavior has a negative influence on the impact toughness of Ti-17 alloy. In this work, the impact toughness have been obtained in the range of 29–55 J/cm 2 via varying globularization fraction of alpha phase. A linear relationship between the impact toughness and globularization fraction can be observed though the quantitative analysis. The linear equation is expressed as A=−0.3232f+59.885. The two major reasons can be used to explain the effect of globularization fraction on the impact property of Ti-17 alloy. One explanation is that the lamellar structure can provide excellent interfacial strengthening effect, which can improve the toughness of material, and makes it not easy to fracture. On the other hand, the fracture surface of specimen with the lamellar structure has larger amplitude of ups and downs. A long crack path length will be generated during fracture process. By contrast, the fracture of specimen with the equiaxed structure presents more flat surface and shorter crack path.

Exact solution and thermodynamics of a spin chain with long-range elliptic interactions

International Nuclear Information System (INIS)

Finkel, Federico; González-López, Artemio

2014-01-01

We solve in closed form the simplest (su(1|1)) supersymmetric version of Inozemtsev's elliptic spin chain, as well as its infinite (hyperbolic) counterpart. The solution relies on the equivalence of these models to a system of free spinless fermions and on the exact computation of the Fourier transform of the resulting elliptic hopping amplitude. We also compute the thermodynamic functions of the finite (elliptic) chain and their low temperature limit and show that the energy levels become normally distributed in the thermodynamic limit. Our results indicate that at low temperatures the su(1|1) elliptic chain behaves as a critical XX model and deviates in an essential way from the Haldane–Shastry chain. (paper)

Incidental Finding of Lamellar Calcification of the Falx Cerebri Leading to the Diagnosis of Gorlin-Goltz Syndrome

Directory of Open Access Journals (Sweden)

I. Saulite

2013-10-01

Full Text Available Here, we report the case of an incidental finding of lamellar calcification of the falx cerebri in a routine computed tomography scan of the head after an accidental trauma. This lamellar calcification led to the diagnosis of Gorlin-Goltz syndrome (GGS in the patient and her daughter. Lamellar calcification of the falx cerebri is a pathognomonic feature of GGS. Our case report highlights the importance of a multidisciplinary diagnostic approach to GGS.

Incidental finding of lamellar calcification of the falx cerebri leading to the diagnosis of gorlin-goltz syndrome.

Science.gov (United States)

Saulite, I; Voykov, B; Mehra, T; Hoetzenecker, W; Guenova, E

2013-01-01

Here, we report the case of an incidental finding of lamellar calcification of the falx cerebri in a routine computed tomography scan of the head after an accidental trauma. This lamellar calcification led to the diagnosis of Gorlin-Goltz syndrome (GGS) in the patient and her daughter. Lamellar calcification of the falx cerebri is a pathognomonic feature of GGS. Our case report highlights the importance of a multidisciplinary diagnostic approach to GGS.

Expression and developmental control of platelet-derived growth factor A-chain and B-chain/Sis genes in rat aortic smooth muscle cells

International Nuclear Information System (INIS)

Majesky, M.W.; Benditt, E.P.; Schwartz, S.M.

1988-01-01

Cultured arterial smooth muscle cells (SMC) can produce platelet-derived growth factor (PDGF)-like molecules. This property raises the possibility that SMC-derived PDGFs function as autocrine/paracrine regulators in the formation and maintenance of the artery wall. In this study the authors have asked if levels of mRNAs directing synthesis of PDFG are modulated in aortic SMC during postnatal development. The authors report here that genes encoding PDGF A- and B-chain precursors are expressed at similar low levels in intact aortas from newborn and adult rats. Marked differences in regulation of transcript abundance of these genes were revealed when aortic SMC were grown in cell culture. PDGF B-chain transcripts accumulated in passaged newborn rat SMC but not adult rat SMC, whereas PDGF A-chain RNA was found in comparable amounts in SMC from both age groups. Similarly, SMC from newborn rats secreted at least 60-fold more PDGF-like activity into conditioned medium than did adult rat SMC. These results show that PDGF A- and B-chain genes are transcribed in the normal rat aorta and provide evidence for age-related change in the control of PDGF B-chain gene expression in aortic SMC. Independent regulation of transcript levels in cultured SMC leaves open the possibility that PDGFs of different composition (AA, AB, BB) play different roles in normal function of the artery wall

Finite element analysis for the initiation of lamellar tearing in welded joints

International Nuclear Information System (INIS)

Krieg, R.D.; Thomas, R.K.

1980-01-01

A numerical procedure using the finite element method is presented for predicting the initiation of lamellar tearing in fillet welded T-joints commonly employed in large structures. Starting with a prescribed geometry, the welding process is approximated by a known time-dependent volumetric heat source which simulates the arc heating and deposition of liquid metal. The transient nonlinear thermal and stress problems are then solved using finite element computer codes. Results of the elastic-plastic stress analysis are presented showing a predicted region of incipient lamellar tearing based on a ductile fracture theory which qualitatively agrees with the size and location of tears typically observed in photomicrographs. Additional insight into post failure crack length and stability is presented based on a simplified linear elastic fracture mechanics approach. Although the analysis procedure shows signs of promise, several weak points in the model are pointed out which must be improved before lamellar tearing can be quantified in an approach of this general type

Vacuolar ATPase regulates surfactant secretion in rat alveolar type II cells by modulating lamellar body calcium.

Directory of Open Access Journals (Sweden)

Narendranath Reddy Chintagari

2010-02-01

Full Text Available Lung surfactant reduces surface tension and maintains the stability of alveoli. How surfactant is released from alveolar epithelial type II cells is not fully understood. Vacuolar ATPase (V-ATPase is the enzyme responsible for pumping H(+ into lamellar bodies and is required for the processing of surfactant proteins and the packaging of surfactant lipids. However, its role in lung surfactant secretion is unknown. Proteomic analysis revealed that vacuolar ATPase (V-ATPase dominated the alveolar type II cell lipid raft proteome. Western blotting confirmed the association of V-ATPase a1 and B1/2 subunits with lipid rafts and their enrichment in lamellar bodies. The dissipation of lamellar body pH gradient by Bafilomycin A1 (Baf A1, an inhibitor of V-ATPase, increased surfactant secretion. Baf A1-stimulated secretion was blocked by the intracellular Ca(2+ chelator, BAPTA-AM, the protein kinase C (PKC inhibitor, staurosporine, and the Ca(2+/calmodulin-dependent protein kinase II (CaMKII, KN-62. Baf A1 induced Ca(2+ release from isolated lamellar bodies. Thapsigargin reduced the Baf A1-induced secretion, indicating cross-talk between lamellar body and endoplasmic reticulum Ca(2+ pools. Stimulation of type II cells with surfactant secretagogues dissipated the pH gradient across lamellar bodies and disassembled the V-ATPase complex, indicating the physiological relevance of the V-ATPase-mediated surfactant secretion. Finally, silencing of V-ATPase a1 and B2 subunits decreased stimulated surfactant secretion, indicating that these subunits were crucial for surfactant secretion. We conclude that V-ATPase regulates surfactant secretion via an increased Ca(2+ mobilization from lamellar bodies and endoplasmic reticulum, and the activation of PKC and CaMKII. Our finding revealed a previously unrealized role of V-ATPase in surfactant secretion.

Direct Visualisation of the Structural Transformation between the Lyotropic Liquid Crystalline Lamellar and Bicontinuous Cubic Mesophase.

Science.gov (United States)

Tran, Nhiem; Zhai, Jiali; Conn, Charlotte E; Mulet, Xavier; Waddington, Lynne J; Drummond, Calum J

2018-05-29

The transition between the lyotropic liquid crystalline lamellar and the bicontinuous cubic mesophase drives multiple fundamental cellular processes involving changes in cell membrane topology including endocytosis and membrane budding. While several theoretical models have been proposed to explain this dynamic transformation, experimental validation of these models has been challenging due to the short lived nature of the intermediates present during the phase transition. Herein, we report the direct observation of a lamellar to bicontinuous cubic phase transition in nanoscale dispersions using a combination of cryogenic transmission electron microscopy and static small angle X-ray scattering. The results represent the first experimental confirmation of a theoretical model which proposed that the bicontinuous cubic phase originates from the centre of a lamellar vesicle, then propagates outward via the formation of inter-lamellar attachments and stalks. The observation was possible due to the precise control of the lipid composition to place the dispersion systems at the phase boundary of a lamellar and a cubic phase, allowing for the creation of long-lived structural intermediates. By surveying the nanoparticles using cryogenic transmission electron microscopy, a complete phase transition sequence was established.

Structure, dynamics and folding of an immunoglobulin domain of the gelation factor (ABP-120) from Dictyostelium discoideum.

Science.gov (United States)

Hsu, Shang-Te Danny; Cabrita, Lisa D; Fucini, Paola; Dobson, Christopher M; Christodoulou, John

2009-05-15

We have carried out a detailed structural and dynamical characterisation of the isolated fifth repeat of the gelation factor (ABP-120) from Dictyostelium discoideum (ddFLN5) by NMR spectroscopy to provide a basis for studies of co-translational folding on the ribosome of this immunoglobulin-like domain. The isolated ddFLN5 can fold autonomously in solution into a structure that resembles very closely the crystal structure of the domain in a construct in which the adjacent sixth repeat (ddFLN6) is covalently linked to its C-terminus in tandem but deviates locally from a second crystal structure in which ddFLN5 is flanked by ddFLN4 and ddFLN6 at both N- and C-termini. Conformational fluctuations were observed via (15)N relaxation methods and are primarily localised in the interstrand loops that encompass the C-terminal hemisphere. These fluctuations are distinct in location from the region where line broadening is observed in ddFLN5 when attached to the ribosome as part of a nascent chain. This observation supports the conclusion that the broadening is associated with interactions with the ribosome surface [Hsu, S. T. D., Fucini, P., Cabrita, L. D., Launay, H., Dobson, C. M. & Christodoulou, J. (2007). Structure and dynamics of a ribosome-bound nascent chain by NMR spectroscopy. Proc. Natl. Acad. Sci. USA, 104, 16516-16521]. The unfolding of ddFLN5 induced by high concentrations of urea shows a low population of a folding intermediate, as inferred from an intensity-based analysis, a finding that differs from that of ddFLN5 as a ribosome-bound nascent chain. These results suggest that interesting differences in detail may exist between the structure of the domain in isolation and when linked to the ribosome and between protein folding in vitro and the folding of a nascent chain as it emerges from the ribosome.

CuInS[sub 2] with lamellar morphology; 1: Efficient photoanodes in acidic polyiodide medium

Energy Technology Data Exchange (ETDEWEB)

Cattarin, S. (Inst. di Polarografia ed Elettrochimica Preparativa del C.N.R., Padova (Italy)); Dietz, N.; Lewerenz, H.J. (Hahn-Meitner-Inst., Berlin (Germany))

1994-05-01

CuInS[sub 2] grown in a steep temperature gradient acquires a peculiar lamellar morphology, similar to that of layered compound semiconductors. Thin electrodes (of thickness down to 30 to 40 [mu]m) can be prepared by cleavage, reducing series resistance in the bulk of the semiconductor. The liquid junction of n-CuInS[sub 2] with acidic polyiodide medium 2M HI, 2.5 M CaI[sub 2], 40 mM I[sub 2] was investigated. The best photoanodes attained quantum yields of monochromatic light of about 0.7 and conversion efficiencies above 7% under simulated AM1 sunlight. Their performance does not decrease substantially under moderately concentrated sunlight (300 to 400 mW cm[sup [minus]2]), due to small ohmic losses. Cell output appears quite stable during the first week of operation, but irregular electrode corrosion is observed, which may be detrimental to long term operation.

Crystallisation and structural studies of monodisperse nylon oligomers and related polymers

International Nuclear Information System (INIS)

Sikorski, P.T.

2001-11-01

Using electron and X-ray diffraction data, together with computerised molecular modeling, the structures of monodisperse nylon oligomers and related polymers have been investigated. Structural changes on heating were also studied. The molecules were crystallised from solution and their morphologies examined using optical and transmission electron microscopy. Lath-like lamellar crystals of the polyester poly-β-propiolactone were crystallised isothermally. The interpretation of the diffraction data with the use of molecular modeling led to the discovery of the new crystalline structure, the γ-structure. In the γ-structure, the polyester chain is in an all-trans conformation and the structure consists of a two-chain, basal-faced, orthorhombic unit cell. The setting angles, with respect to the a axis, are ± 51.5 deg for the corner and centre chains, respectively. The lamellae are 5 nm in thickness and the chains run orthogonal to the lamellar surface. The general fold direction is along the a-axis (long axis of the crystal) and the chain folds successively in the [110] and [11-bar0] directions. Three different nylon 4 6 oligomers were crystallised from solution using a range of crystallisation methods. The 4- and 8-amide molecules were found to form three-dimensional crystals, in which the crystal thickness was much greater than the molecular length. The structure was found to be different from the nylon 4 6 polymer reported previously. It was found that the type of hydrogen-bonded sheet formed by these molecules can influence the way in which these sheets stack to form crystals. In addition, a study of the 9-amide molecule showed that a particular type of hydrogen-bonded sheet, a-sheet, is preferred for nylon 4 6. This discovery suggests that an amide unit is found in the fold in the chain-folded nylon 4 6 polymer crystals, to allow the a-sheets to be formed. It is not a consequence of a need to form a stress-free fold. In the regular adjacent re-entry chain-folded

One- and two-dimensional fluids properties of smectic, lamellar and columnar liquid crystals

CERN Document Server

Jakli, Antal

2006-01-01

Smectic and lamellar liquid crystals are three-dimensional layered structures in which each layer behaves as a two-dimensional fluid. Because of their reduced dimensionality they have unique physical properties and challenging theoretical descriptions, and are the subject of much current research. One- and Two-Dimensional Fluids: Properties of Smectic, Lamellar and Columnar Liquid Crystals offers a comprehensive review of these phases and their applications. The book details the basic structures and properties of one- and two-dimensional fluids and the nature of phase transitions. The later chapters consider the optical, magnetic, and electrical properties of special structures, including uniformly and non-uniformly aligned anisotropic films, lyotropic lamellar systems, helical and chiral structures, and organic anisotropic materials. Topics also include typical and defective features, magnetic susceptibility, and electrical conductivity. The book concludes with a review of current and potential applications ...

There and back again: Two views on the protein folding puzzle.

Science.gov (United States)

Finkelstein, Alexei V; Badretdin, Azat J; Galzitskaya, Oxana V; Ivankov, Dmitry N; Bogatyreva, Natalya S; Garbuzynskiy, Sergiy O

2017-07-01

The ability of protein chains to spontaneously form their spatial structures is a long-standing puzzle in molecular biology. Experimentally measured folding times of single-domain globular proteins range from microseconds to hours: the difference (10-11 orders of magnitude) is the same as that between the life span of a mosquito and the age of the universe. This review describes physical theories of rates of overcoming the free-energy barrier separating the natively folded (N) and unfolded (U) states of protein chains in both directions: "U-to-N" and "N-to-U". In the theory of protein folding rates a special role is played by the point of thermodynamic (and kinetic) equilibrium between the native and unfolded state of the chain; here, the theory obtains the simplest form. Paradoxically, a theoretical estimate of the folding time is easier to get from consideration of protein unfolding (the "N-to-U" transition) rather than folding, because it is easier to outline a good unfolding pathway of any structure than a good folding pathway that leads to the stable fold, which is yet unknown to the folding protein chain. And since the rates of direct and reverse reactions are equal at the equilibrium point (as follows from the physical "detailed balance" principle), the estimated folding time can be derived from the estimated unfolding time. Theoretical analysis of the "N-to-U" transition outlines the range of protein folding rates in a good agreement with experiment. Theoretical analysis of folding (the "U-to-N" transition), performed at the level of formation and assembly of protein secondary structures, outlines the upper limit of protein folding times (i.e., of the time of search for the most stable fold). Both theories come to essentially the same results; this is not a surprise, because they describe overcoming one and the same free-energy barrier, although the way to the top of this barrier from the side of the unfolded state is very different from the way from the

Geometric U-folds in four dimensions

Science.gov (United States)

Lazaroiu, C. I.; Shahbazi, C. S.

2018-01-01

We describe a general construction of geometric U-folds compatible with a non-trivial extension of the global formulation of four-dimensional extended supergravity on a differentiable spin manifold. The topology of geometric U-folds depends on certain flat fiber bundles which encode how supergravity fields are globally glued together. We show that smooth non-trivial U-folds of this type can exist only in theories where both the scalar and space-time manifolds have non-trivial fundamental group and in addition the scalar map of the solution is homotopically non-trivial. Consistency with string theory requires smooth geometric U-folds to be glued using subgroups of the effective discrete U-duality group, implying that the fundamental group of the scalar manifold of such solutions must be a subgroup of the latter. We construct simple examples of geometric U-folds in a generalization of the axion-dilaton model of \

In situ ultrahigh-resolution optical coherence tomography characterization of eye bank corneal tissue processed for lamellar keratoplasty.

Science.gov (United States)

Brown, Jamin S; Wang, Danling; Li, Xiaoli; Baluyot, Florence; Iliakis, Bernie; Lindquist, Thomas D; Shirakawa, Rika; Shen, Tueng T; Li, Xingde

2008-08-01

To use optical coherence tomography (OCT) as a noninvasive tool to perform in situ characterization of eye bank corneal tissue processed for lamellar keratoplasty. A custom-built ultrahigh-resolution OCT (UHR-OCT) was used to characterize donor corneal tissue that had been processed for lamellar keratoplasty. Twenty-seven donor corneas were analyzed. Four donor corneas were used as controls, whereas the rest were processed into donor corneal buttons for lamellar transplantation by using hand dissection, a microkeratome, or a femtosecond laser. UHR-OCT was also used to noninvasively characterize and monitor the viable corneal tissue immersed in storage medium over 3 weeks. The UHR-OCT captured high-resolution images of the donor corneal tissue in situ. This noninvasive technique showed the changes in donor corneal tissue morphology with time while in storage medium. The characteristics of the lamellar corneal tissue with each processing modality were clearly visible by UHR-OCT. The in situ characterization of the femtosecond laser-cut corneal tissue was noted to have more interface debris than shown by routine histology. The effects of the femtosecond laser microcavitation bubbles on the corneal tissue were well visualized at the edges of the lamellar flap while in storage medium. The results of our feasibility study show that UHR-OCT can provide superb, in situ microstructural characterization of eye bank corneal tissue noninvasively. The UHR-OCT interface findings and corneal endothelial disc thickness uniformity analysis are valuable information that may be used to optimize the modalities and parameters for lamellar tissue processing. The UHR-OCT is a powerful approach that will allow us to further evaluate the tissue response to different processing techniques for posterior lamellar keratoplasty. It may also provide information that can be used to correlate with postoperative clinical outcomes. UHR-OCT has the potential to become a routine part of tissue

Crystallisation and chain conformation of long chain n-alkanes

International Nuclear Information System (INIS)

Gorce, J.

2000-06-01

Hydrocarbon chains are a basic component in a number of systems as diverse as biological membranes, phospholipids and polymers. A better understanding of the physical properties of n-alkane chains should provide a better understanding of these more complex systems. With this aim, vibrational spectroscopy has been extensively used. This technique, sensitive to molecular details, is the only one able to both identify and quantify conformational disorder present in paraffinic systems. To achieve this, methyl deformations have been widely used as ''internal standards'' for the normalisation of peak areas. However, in the case of n-alkanes with short chain length, such as n-C 44 H 90 for example, the infrared spectra recorded at liquid nitrogen temperature and reported here show the sensitivity of these latter peaks to the various crystal structures formed. Indeed, the main frequencies of the symmetric methyl bending mode were found between 1384 cm -1 and 1368 cm -1 as a function of the crystal form. Changes in the frequency of the first order of the L.A.M. present in the Raman spectra were also observed. At higher temperatures, non all-trans conformers, inferred from different infrared bands present in the wagging mode region, were found to be essentially placed at the end of the n-alkane chains. At the monoclinic phase transition, the concentration of end-gauche conformers, proportional to the area of the infrared band at 1342 cm -1 , increases abruptly. On the contrary, in the spectra recorded at liquid nitrogen temperature no such band is observed. We also studied the degree of disorder in two purely monodisperse long chain n-alkanes, namely n-C 198 H 398 and n-C 246 H 494 . The chain conformation as well as the tilt angle of the chains from the crystal surfaces were determined by means of low frequency Raman spectroscopy and S.A.X.S. measurements on solution-crystallised samples. The increase in the number of end-gauche conformers which was expected to occur with

Solvothermal Vapor Annealing of Lamellar Poly(styrene)-block-poly(d,l-lactide) Block Copolymer Thin Films for Directed Self-Assembly Application.

Science.gov (United States)

Cummins, Cian; Mokarian-Tabari, Parvaneh; Andreazza, Pascal; Sinturel, Christophe; Morris, Michael A

2016-03-01

Solvothermal vapor annealing (STVA) was employed to induce microphase separation in a lamellar forming block copolymer (BCP) thin film containing a readily degradable block. Directed self-assembly of poly(styrene)-block-poly(d,l-lactide) (PS-b-PLA) BCP films using topographically patterned silicon nitride was demonstrated with alignment over macroscopic areas. Interestingly, we observed lamellar patterns aligned parallel as well as perpendicular (perpendicular microdomains to substrate in both cases) to the topography of the graphoepitaxial guiding patterns. PS-b-PLA BCP microphase separated with a high degree of order in an atmosphere of tetrahydrofuran (THF) at an elevated vapor pressure (at approximately 40-60 °C). Grazing incidence small-angle X-ray scattering (GISAXS) measurements of PS-b-PLA films reveal the through-film uniformity of perpendicular microdomains after STVA. Perpendicular lamellar orientation was observed on both hydrophilic and relatively hydrophobic surfaces with a domain spacing (L0) of ∼32.5 nm. The rapid removal of the PLA microdomains is demonstrated using a mild basic solution for the development of a well-defined PS mask template. GISAXS data reveal the through-film uniformity is retained following wet etching. The experimental results in this article demonstrate highly oriented PS-b-PLA microdomains after a short annealing period and facile PLA removal to form porous on-chip etch masks for nanolithography application.

Linear low density polyethylene (LLDPE) and lamellar zirconium phosphate (Zr P) composites: morphology and mechanical properties

International Nuclear Information System (INIS)

Silva, Daniela F.; Mandes, Luis C.; Lino, Adan S.

2011-01-01

Composites of linear low density polyethylene (LLDPE) and zirconium phosphate (ZrP) were prepared by extrusion in the molten state, containing 2 (w%) of the lamellar filler. The filler was previously synthesized by direct precipitation method and characterized. After processing, the composite and the pure virgin polymer were molded by compression in order to obtain films of 1 mm thick which were characterized by X-ray diffraction at high angle (WAXD), stress-strain mechanical analysis and scanning electron microscopy (SEM). The WAXD and SEM analysis showed that there was no intercalation of LLDPE in zirconium phosphate, possibly due to the fact that the layers do not have spacing enough to allow the intercalation of polymer chains in the galleries of the filler and thus allow the exfoliation. (author)

Long range correlations and folding angle with applications to α-helical proteins

Science.gov (United States)

Krokhotin, Andrey; Nicolis, Stam; Niemi, Antti J.

2014-03-01

The conformational complexity of chain-like macromolecules such as proteins and other linear polymers is much larger than that of point-like atoms and molecules. Unlike particles, chains can bend, twist, and even become knotted. Thus chains might also display a much richer phase structure. Unfortunately, it is not very easy to characterize the phase of a long chain. Essentially, the only known attribute is the radius of gyration. The way how it changes when the degree of polymerization becomes different, and how it evolves when the ambient temperature and solvent properties change, is commonly used to disclose the phase. But in any finite length chain there are corrections to scaling that complicate the detailed analysis of the phase structure. Here we introduce a quantity that we call the folding angle to identify and scrutinize the phase structure, as a complement to the radius of gyration. We argue for a mean-field level relationship between the folding angle and the scaling exponent in the radius of gyration. We then estimate the value of the folding angle in the case of crystallographic α-helical protein structures in the Protein Data Bank. We also show how the experimental value of the folding angle can be obtained computationally, using a semiclassical Born-Oppenheimer description of α-helical chiral chains.

Lamellar Diblock Copolymer Thin Films during Solvent Vapor Annealing Studied by GISAXS

DEFF Research Database (Denmark)

Zhang, Jianqi; Posselt, Dorthe; Smilgies, Detlef-M.

2014-01-01

The reorientation of lamellae and the dependence of the lamellar spacing, Dlam, on polymer volume fraction, ϕP, Dlam ∝ ϕP–β, in diblock copolymer thin films during solvent vapor annealing (SVA) are examined by combining white light interferometry (WLI) and grazing-incidence small-angle X-ray scat......The reorientation of lamellae and the dependence of the lamellar spacing, Dlam, on polymer volume fraction, ϕP, Dlam ∝ ϕP–β, in diblock copolymer thin films during solvent vapor annealing (SVA) are examined by combining white light interferometry (WLI) and grazing-incidence small-angle X...

Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes

KAUST Repository

Sethuraman, Vaidyanathan; Mogurampelly, Santosh; Ganesan, Venkat

2017-01-01

We use a multiscale simulation strategy to elucidate, at an atomistic level, the mechanisms underlying ion transport in the lamellar phase of polystyrene–polyethylene oxide (PS–PEO) block copolymer (BCP) electrolytes doped with LiPF6 salts. Explicitly, we compare the results obtained for ion transport in the microphase separated block copolymer melts to those for salt-doped PEO homopolymer melts. In addition, we also present results for dynamics of the ions individually in the PEO and PS domains of the BCP melt, and locally as a function of the distance from the lamellar interfaces. When compared to the PEO homopolymer melt, ions were found to exhibit slower dynamics in both the block copolymer (overall) and in the PEO phase of the BCP melt. Such results are shown to arise from the effects of slower polymer segmental dynamics in the BCP melt and the coordination characteristics of the ions. Polymer backbone-ion residence times analyzed as a function of distance from the interface indicate that ions have a larger residence time near the interface compared to that near the bulk of lamella, and demonstrates the influence of the glassy PS blocks and microphase segregation on the ion transport properties. Ion transport mechanisms in BCP melts reveal that there exist five distinct mechanisms for ion transport along the backbone of the chain and exhibit qualitative differences from the behavior in homopolymer melts. We also present results as a function of salt concentration which show that the mean-squared displacements of the ions decrease with increasing salt concentration, and that the ion residence times near the polymer backbone increase with increasing salt concentration.

Ion transport mechanisms in lamellar phases of salt-doped PS–PEO block copolymer electrolytes

KAUST Repository

Sethuraman, Vaidyanathan

2017-10-23

We use a multiscale simulation strategy to elucidate, at an atomistic level, the mechanisms underlying ion transport in the lamellar phase of polystyrene–polyethylene oxide (PS–PEO) block copolymer (BCP) electrolytes doped with LiPF6 salts. Explicitly, we compare the results obtained for ion transport in the microphase separated block copolymer melts to those for salt-doped PEO homopolymer melts. In addition, we also present results for dynamics of the ions individually in the PEO and PS domains of the BCP melt, and locally as a function of the distance from the lamellar interfaces. When compared to the PEO homopolymer melt, ions were found to exhibit slower dynamics in both the block copolymer (overall) and in the PEO phase of the BCP melt. Such results are shown to arise from the effects of slower polymer segmental dynamics in the BCP melt and the coordination characteristics of the ions. Polymer backbone-ion residence times analyzed as a function of distance from the interface indicate that ions have a larger residence time near the interface compared to that near the bulk of lamella, and demonstrates the influence of the glassy PS blocks and microphase segregation on the ion transport properties. Ion transport mechanisms in BCP melts reveal that there exist five distinct mechanisms for ion transport along the backbone of the chain and exhibit qualitative differences from the behavior in homopolymer melts. We also present results as a function of salt concentration which show that the mean-squared displacements of the ions decrease with increasing salt concentration, and that the ion residence times near the polymer backbone increase with increasing salt concentration.

On the multi-level solution algorithm for Markov chains

Energy Technology Data Exchange (ETDEWEB)

Horton, G. [Univ. of Erlangen, Nuernberg (Germany)

1996-12-31

We discuss the recently introduced multi-level algorithm for the steady-state solution of Markov chains. The method is based on the aggregation principle, which is well established in the literature. Recursive application of the aggregation yields a multi-level method which has been shown experimentally to give results significantly faster than the methods currently in use. The algorithm can be reformulated as an algebraic multigrid scheme of Galerkin-full approximation type. The uniqueness of the scheme stems from its solution-dependent prolongation operator which permits significant computational savings in the evaluation of certain terms. This paper describes the modeling of computer systems to derive information on performance, measured typically as job throughput or component utilization, and availability, defined as the proportion of time a system is able to perform a certain function in the presence of component failures and possibly also repairs.

Size, shape, and diffusivity of a single Debye-Hückel polyelectrolyte chain in solution

Science.gov (United States)

Soysa, W. Chamath; Dünweg, B.; Prakash, J. Ravi

2015-08-01

Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-Hückel electrostatic interactions between the beads, are used to determine the root-mean-square end-to-end vector, the radius of gyration, and various shape functions (defined in terms of eigenvalues of the radius of gyration tensor) of a weakly charged polyelectrolyte chain in solution, in the limit of low polymer concentration. The long-time diffusivity is calculated from the mean square displacement of the centre of mass of the chain, with hydrodynamic interactions taken into account through the incorporation of the Rotne-Prager-Yamakawa tensor. Simulation results are interpreted in the light of the Odjik, Skolnick, Fixman, Khokhlov, and Khachaturian blob scaling theory (Everaers et al., Eur. Phys. J. E 8, 3 (2002)) which predicts that all solution properties are determined by just two scaling variables—the number of electrostatic blobs X and the reduced Debye screening length, Y. We identify three broad regimes, the ideal chain regime at small values of Y, the blob-pole regime at large values of Y, and the crossover regime at intermediate values of Y, within which the mean size, shape, and diffusivity exhibit characteristic behaviours. In particular, when simulation results are recast in terms of blob scaling variables, universal behaviour independent of the choice of bead-spring chain parameters, and the number of blobs X, is observed in the ideal chain regime and in much of the crossover regime, while the existence of logarithmic corrections to scaling in the blob-pole regime leads to non-universal behaviour.

Dynamic enzyme docking to the ribosome coordinates N-terminal processing with polypeptide folding.

Science.gov (United States)

Sandikci, Arzu; Gloge, Felix; Martinez, Michael; Mayer, Matthias P; Wade, Rebecca; Bukau, Bernd; Kramer, Günter

2013-07-01

Newly synthesized polypeptides undergo various cotranslational maturation steps, including N-terminal enzymatic processing, chaperone-assisted folding and membrane targeting, but the spatial and temporal coordination of these steps is unclear. We show that Escherichia coli methionine aminopeptidase (MAP) associates with ribosomes through a charged loop that is crucial for nascent-chain processing and cell viability. MAP competes with peptide deformylase (PDF), the first enzyme to act on nascent chains, for binding sites at the ribosomal tunnel exit. PDF has extremely fast association and dissociation kinetics, which allows it to frequently sample ribosomes and ensure the processing of nascent chains after their emergence. Premature recruitment of the chaperone trigger factor, or polypeptide folding, negatively affect processing efficiency. Thus, the fast ribosome association kinetics of PDF and MAP are crucial for the temporal separation of nascent-chain processing from later maturation events, including chaperone recruitment and folding.

Optical and electrical properties of ZrSe3 single crystals grown by chemical vapour transport technique

International Nuclear Information System (INIS)

Patel, Kaushik; Prajapati, Jagdish; Vaidya, Rajiv; Patel, S.G.

2005-01-01

Single crystals of the lamellar compound, ZrSe 3 , were grown by chemical vapour transport technique using iodine as a transporting agent. The grown crystals were characterized with the help of energy dispersive analysis by X-ray (EDAX), which gave confirmation about the stoichiometry. The optical band gap measurement of as grown crystals was carried out with the help of optical absorption spectra in the range 700-1450 nm. The indirect as well as direct band gap of ZrSe 3 were found to be 1.1 eV and 1.47 eV, respectively. The resistivity of the as grown crystals was measured using van der Pauw method. The Hall parameters of the grown crystals were determined at room temperature from Hall effect measurements. Electrical resistivity measurements were performed on this crystal in the temperature range 303-423 K. The crystals were found to exhibit semiconducting nature in this range. The activation energy and anisotropy measurements were carried out for this crystal. Pressure dependence of electrical resistance was studied using Bridgman opposed anvils set up up to 8 GPa. The semiconducting nature of ZrSe 3 single crystal was inferred from the graph of resistance vs pressure. The results obtained are discussed in detail. (author)

Protein folding on the ribosome studied using NMR spectroscopy

Science.gov (United States)

Waudby, Christopher A.; Launay, Hélène; Cabrita, Lisa D.; Christodoulou, John

2013-01-01

NMR spectroscopy is a powerful tool for the investigation of protein folding and misfolding, providing a characterization of molecular structure, dynamics and exchange processes, across a very wide range of timescales and with near atomic resolution. In recent years NMR methods have also been developed to study protein folding as it might occur within the cell, in a de novo manner, by observing the folding of nascent polypeptides in the process of emerging from the ribosome during synthesis. Despite the 2.3 MDa molecular weight of the bacterial 70S ribosome, many nascent polypeptides, and some ribosomal proteins, have sufficient local flexibility that sharp resonances may be observed in solution-state NMR spectra. In providing information on dynamic regions of the structure, NMR spectroscopy is therefore highly complementary to alternative methods such as X-ray crystallography and cryo-electron microscopy, which have successfully characterized the rigid core of the ribosome particle. However, the low working concentrations and limited sample stability associated with ribosome–nascent chain complexes means that such studies still present significant technical challenges to the NMR spectroscopist. This review will discuss the progress that has been made in this area, surveying all NMR studies that have been published to date, and with a particular focus on strategies for improving experimental sensitivity. PMID:24083462

Merging Bottom-Up with Top-Down: Continuous Lamellar Networks and Block Copolymer Lithography

Science.gov (United States)

Campbell, Ian Patrick

Block copolymer lithography is an emerging nanopatterning technology with capabilities that may complement and eventually replace those provided by existing optical lithography techniques. This bottom-up process relies on the parallel self-assembly of macromolecules composed of covalently linked, chemically distinct blocks to generate periodic nanostructures. Among the myriad potential morphologies, lamellar structures formed by diblock copolymers with symmetric volume fractions have attracted the most interest as a patterning tool. When confined to thin films and directed to assemble with interfaces perpendicular to the substrate, two-dimensional domains are formed between the free surface and the substrate, and selective removal of a single block creates a nanostructured polymeric template. The substrate exposed between the polymeric features can subsequently be modified through standard top-down microfabrication processes to generate novel nanostructured materials. Despite tremendous progress in our understanding of block copolymer self-assembly, continuous two-dimensional materials have not yet been fabricated via this robust technique, which may enable nanostructured material combinations that cannot be fabricated through bottom-up methods. This thesis aims to study the effects of block copolymer composition and processing on the lamellar network morphology of polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) and utilize this knowledge to fabricate continuous two-dimensional materials through top-down methods. First, block copolymer composition was varied through homopolymer blending to explore the physical phenomena surrounding lamellar network continuity. After establishing a framework for tuning the continuity, the effects of various processing parameters were explored to engineer the network connectivity via defect annihilation processes. Precisely controlling the connectivity and continuity of lamellar networks through defect engineering and

PMMA-g-OEtOx Graft Copolymers: Influence of Grafting Degree and Side Chain Length on the Conformation in Aqueous Solution

Directory of Open Access Journals (Sweden)

Irina Muljajew

2018-03-01

Full Text Available Depending on the degree of grafting (DG and the side chain degree of polymerization (DP, graft copolymers may feature properties similar to statistical copolymers or to block copolymers. This issue is approached by studying aqueous solutions of PMMA-g-OEtOx graft copolymers comprising a hydrophobic poly(methyl methacrylate (PMMA backbone and hydrophilic oligo(2-ethyl-2-oxazoline (OEtOx side chains. The graft copolymers were synthesized via reversible addition-fragmentation chain transfer (RAFT copolymerization of methyl methacrylate (MMA and OEtOx-methacrylate macromonomers of varying DP. All aqueous solutions of PMMA-g-OEtOx (9% ≤ DG ≤ 34%; 5 ≤ side chain DP ≤ 24 revealed lower critical solution temperature behavior. The graft copolymer architecture significantly influenced the aggregation behavior, the conformation in aqueous solution and the coil to globule transition, as verified by means of turbidimetry, dynamic light scattering, nuclear magnetic resonance spectroscopy, and analytical ultracentrifugation. The aggregation behavior of graft copolymers with a side chain DP of 5 was significantly affected by small variations of the DG, occasionally forming mesoglobules above the cloud point temperature (Tcp, which was around human body temperature. On the other hand, PMMA-g-OEtOx with elongated side chains assembled into well-defined structures below the Tcp (apparent aggregation number (Nagg = 10 that were able to solubilize Disperse Orange 3. The thermoresponsive behavior of aqueous solutions thus resembled that of micelles comprising a poly(2-ethyl-2-oxazoline (PEtOx shell (Tcp > 60 °C.

Minimal compliance design for metal–ceramic composites with lamellar microstructures

DEFF Research Database (Denmark)

Piat, R.; Sinchuk, Y.; Vasoya, M.

2011-01-01

of lamellar domains. With local ceramic volume fraction and lamella orientation chosen as the design variables, a minimum compliance optimization problem is solved based on topology optimization and finite element methods for metal–ceramic samples with different geometries and boundary conditions...

One-step exfoliation and surface modification of lamellar hydroxyapatite by intercalation of glucosamine

Energy Technology Data Exchange (ETDEWEB)

Luo, Honglin [Research Institute for Biomaterials and Transportation, East China Jiaotong University, Nanchang, 330013 (China); School of Materials Science and Engineering, Tianjin University, Tianjin, 300072 (China); Li, Wei; Ji, Dehui [Research Institute for Biomaterials and Transportation, East China Jiaotong University, Nanchang, 330013 (China); Zuo, Guifu [Hebei Provincial Key Laboratory of Inorganic Nonmetallic Materials, College of Materials Science and Engineering, Hebei United University, Tangshan, 063009 (China); Xiong, Guangyao, E-mail: xiongguangyao@163.com [Research Institute for Biomaterials and Transportation, East China Jiaotong University, Nanchang, 330013 (China); Zhu, Yong [School of Chemical Engineering, Tianjin University, Tianjin, 300072 (China); Li, Lili; Han, Ming [Research Institute for Biomaterials and Transportation, East China Jiaotong University, Nanchang, 330013 (China); Wu, Caoqun [School of Materials Science and Engineering, Tianjin University, Tianjin, 300072 (China); Wan, Yizao, E-mail: yzwantju@126.com [Research Institute for Biomaterials and Transportation, East China Jiaotong University, Nanchang, 330013 (China); School of Materials Science and Engineering, Tianjin University, Tianjin, 300072 (China)

2016-04-15

Effective exfoliation is crucial to the application of layered materials in many fields. Herein, we report a novel effective, scalable, and ecofriendly method for the exfoliation of lamellar HAp by glucosamine intercalation such that individual HAp nanoplates can be obtained. The as-exfoliated HAp nanoplates were characterized by Fourier transform infrared (FTIR), X-ray diffraction (XRD), transmission electron microscopy (TEM), and thermogravimetric (TG) analysis. It is found that the glucosamine intercalation not only results in complete exfoliation of lamellar HAp but also introduces the glucosamine molecules onto the surface of individual HAp nanoplates, thus obtaining separated glucosamine-grafted HAp nanoplates (Glu-HAps). Results from MTT assay demonstrate that glucosamine grafting on HAp nanoplates greatly improves the cell growth and proliferation as compared to nongrafted HAp counterparts. - Highlights: • Glucosamine was used as intercalation agent to exfoliate lamellar hydroxyapatite. • Glucosamine was grafted onto the as-exfoliated nanoplate-like hydroxyapatite. • Exfoliation and surface grafting were accomplished in one step. • Glucosamine-grafted HAp showed improved biocompatibility over nongrafted one.

Shear-induced morphology transition and microphase separation in a lamellar phase doped with clay particles.

Science.gov (United States)

Nettesheim, Florian; Grillo, Isabelle; Lindner, Peter; Richtering, Walter

2004-05-11

We report on the influence of shear on a nonionic lamellar phase of tetraethyleneglycol monododecyl ether (C12E4) in D2O containing clay particles (Laponite RD). The system was studied by means of small-angle light scattering (SALS) and small-angle neutron scattering (SANS) under shear. The SANS experiments were conducted using a H2O/D2O mixture of the respective scattering length density to selectively match the clay scattering. The rheological properties show the familiar shear thickening regime associated with the formation of multilamellar vesicles (MLVs) and a shear thinning regime at higher stresses. The variation of viscosity is less pronounced as commonly observed. In the shear thinning regime, depolarized SALS reveals an unexpectedly strong variation of the MLV size. SANS experiments using the samples with lamellar contrast reveal a change in interlamellar spacing of up to 30% at stresses that lead to MLV formation. This change is much more pronounced than the change observed, when shear suppresses thermal bilayer undulations. Microphase separation occurs, and as a consequence, the lamellar spacing decreases drastically. The coincidence of the change in lamellar spacing and the onset of MLV formation is a strong indication for a morphology-driven microphase separation.

Finite-gap solutions of Abelian Toda chain of genus 4 and 5 in elliptic functions

International Nuclear Information System (INIS)

Smirnov, A.O.

1989-01-01

A reduction theorem is formulated and proved. Smooth real solutions of the Abelian Toda chain of genus 4 and 5 are obtained in elliptic functions. Solutions of genus 2g and 2g + 1 of the discrete Peierls-Froehlich model in the absence of intramolecular deformation are constructed in terms of g-dimensional theta functions

Exact steady state manifold of a boundary driven spin-1 Lai–Sutherland chain

International Nuclear Information System (INIS)

Ilievski, Enej; Prosen, Tomaž

2014-01-01

We present an explicit construction of a family of steady state density matrices for an open integrable spin-1 chain with bilinear and biquadratic interactions, also known as the Lai–Sutherland model, driven far from equilibrium by means of two oppositely polarizing Markovian dissipation channels localized at the boundary. The steady state solution exhibits n+1 fold degeneracy, for a chain of length n, due to existence of (strong) Liouvillian U(1) symmetry. The latter can be exploited to introduce a chemical potential and define a grand canonical nonequilibrium steady state ensemble. The matrix product form of the solution entails an infinitely-dimensional representation of a non-trivial Lie algebra (semidirect product of sl 2 and a non-nilpotent radical) and hints to a novel Yang–Baxter integrability structure

Exact steady state manifold of a boundary driven spin-1 Lai–Sutherland chain

Energy Technology Data Exchange (ETDEWEB)

Ilievski, Enej; Prosen, Tomaž

2014-05-15

We present an explicit construction of a family of steady state density matrices for an open integrable spin-1 chain with bilinear and biquadratic interactions, also known as the Lai–Sutherland model, driven far from equilibrium by means of two oppositely polarizing Markovian dissipation channels localized at the boundary. The steady state solution exhibits n+1 fold degeneracy, for a chain of length n, due to existence of (strong) Liouvillian U(1) symmetry. The latter can be exploited to introduce a chemical potential and define a grand canonical nonequilibrium steady state ensemble. The matrix product form of the solution entails an infinitely-dimensional representation of a non-trivial Lie algebra (semidirect product of sl{sub 2} and a non-nilpotent radical) and hints to a novel Yang–Baxter integrability structure.

Nucleation phenomena in protein folding: the modulating role of protein sequence

International Nuclear Information System (INIS)

Travasso, Rui D M; FaIsca, Patricia F N; Gama, Margarida M Telo da

2007-01-01

For the vast majority of naturally occurring, small, single-domain proteins, folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation mechanism for protein folding whose basic premise is the idea that, after completion of a specific set of contacts forming the so-called folding nucleus, the native state is achieved promptly. Here we propose a methodology to identify folding nuclei in small lattice polymers and apply it to the study of protein molecules with a chain length of N = 48. To investigate the extent to which protein topology is a robust determinant of the nucleation mechanism, we compare the nucleation scenario of a native-centric model with that of a sequence-specific model sharing the same native fold. To evaluate the impact of the sequence's finer details in the nucleation mechanism, we consider the folding of two non-homologous sequences. We conclude that, in a sequence-specific model, the folding nucleus is, to some extent, formed by the most stable contacts in the protein and that the less stable linkages in the folding nucleus are solely determined by the fold's topology. We have also found that, independently of the protein sequence, the folding nucleus performs the same 'topological' function. This unifying feature of the nucleation mechanism results from the residues forming the folding nucleus being distributed along the protein chain in a similar and well-defined manner that is determined by the fold's topological features

Inverse cutting of posterior lamellar corneal grafts by a femtosecond laser.

Science.gov (United States)

Hjortdal, Jesper; Nielsen, Esben; Vestergaard, Anders; Søndergaard, Anders

2012-01-01

Posterior lamellar grafting of the cornea has become the preferred technique for treatment of corneal endothelial dysfunction. Posterior lamellar grafts are usually cut by a micro-keratome or a femto-second laser after the epithelial side of the donor cornea has been applanated. This approach often results in variable central graft thickness in different grafts and an increase in graft thickness towards the periphery in every graft. The purpose of this study was to evaluate if posterior lamellar grafts can be prepared from the endothelial side by a femto-second laser, resulting in reproducible, thin grafts of even thickness. A CZM 500 kHz Visumax femto-second laser was used. Organ cultured donor grafts were mounted in an artifical anterior chamber with the endothelial side up and out. Posterior grafts of 7.8 mm diameter and 130 micron thickness were prepared by femto-second laser cutting. A standard DSAEK procedure was performed in 10 patients with Fuchs endothelial dystrophy. Patients were followed-up regularly and evaluated by measurement of complications, visual acuity, corneal thickness (Pentacam HR), and endothelial cell density. Femto-laser cutting of grafts and surgery was uncomplicated. Rebubbling was necessary in 5 of 10 cases (normally only in 1 of 20 cases). All grafts were attached and cleared up during the first few weeks. After six months, the average visual acuity was 0.30 (range: 0.16 to 0.50), corneal thickness was 0.58 mm (range 0.51 to 0.63), and endothelial cell density was 1.570 per sq. mm (range: 1.400 to 2.000 cells per sq. mm). The grafts were of uniform thickness, but substantial interface haze was present in most grafts. Posterior lamellar corneal grafts can be prepared from the endothelial side using a femto-second laser. All grafts were clear after 6 months with satisfying endothelial cell counts. Poor visual acuity caused by interface scatter was observed in most patients. Femto-second laser cutting parameters needs to be optimised to

Outstanding compressive creep strength in Cr/Ir-codoped (Mo0.85Nb0.15)Si2 crystals with the unique cross-lamellar microstructure.

Science.gov (United States)

Hagihara, Koji; Ikenishi, Takaaki; Araki, Haruka; Nakano, Takayoshi

2017-06-21

A (Mo 0.85 Nb 0.15 )Si 2 crystal with an oriented, lamellar, C40/C11 b two-phase microstructure is a promising ultrahigh-temperature (UHT) structural material, but its low room-temperature fracture toughness and low high-temperature strength prevent its practical application. As a possibility to overcome these problems, we first found a development of unique "cross-lamellar microstructure", by the cooping of Cr and Ir. The cross-lamellar microstructure consists of a rod-like C11 b -phase grains that extend along a direction perpendicular to the lamellar interface in addition to the C40/C11 b fine lamellae. In this study, the effectiveness of the cross-lamellar microstructure for improving the high-temperature creep deformation property, being the most essential for UHT materials, was examined by using the oriented crystals. The creep rate significantly reduced along a loading orientation parallel to the lamellar interface. Furthermore, the degradation in creep strength for other loading orientation that is not parallel to the lamellar interface, which has been a serious problem up to now, was also suppressed. The results demonstrated that the simultaneous improvement of high-temperature creep strength and room temperature fracture toughness can be first accomplished by the development of unique cross-lamellar microstructure, which opens a potential avenue for the development of novel UHT materials as alternatives to existing Ni-based superalloys.

Effect of mycorrhiza and phosphorus content in nutrient solution on the yield and nutritional status of tomato plants grown on rockwool or coconut coir

Directory of Open Access Journals (Sweden)

Iwona Kowalska

2015-03-01

Full Text Available Effects of P level in nutrient solution and the colonization of roots by arbuscular mycorrhizal fungi (AMF on P uptake by tomato plants, their nutritional status, yield and quality of fruits were studied. Plants were grown on rockwool or coconut coir. Inoculation by a mixture of several AMF species was performed three times during the growing period. The mycorrhizal frequency in roots inoculated with AMF amounted to 35.79 – 50.82%. The highest level of mycorrhiza was found in plants receiving nutrient solution with a lower concentration of P. Among the experimental factors, only P level influenced the fruit yield, being higher from plants receiving a nutrient solution with a higher P level. A higher concentration of P in nutrient solution imposed better nutritional status of plants. Higher contents of ascorbic acid and total soluble sugars were found in fruits collected from inoculated plants, grown on rockwool.

Electrochemical properties and diffusion of a redox active surfactant incorporated in bicontinuous cubic and lamellar phase

International Nuclear Information System (INIS)

Kostela, J.; Elmgren, M.; Almgren, M.

2005-01-01

The objective of this study was to investigate the electrochemical behaviour of the divalent redox active surfactant, N-cetyl-N'-methylviologen (CMV), in bicontinuous cubic and lamellar phases. The liquid crystalline phases were prepared from the system glycerolmonooleate (GMO)-water (and brine)-cationic surfactant. A comparison of the phase behaviour of GMO with the monovalent cetyltrimethylammonium bromide (CTAB) and the divalent CMV surfactant showed that the surfactants gave about the same effect at the same surface charge density. The electrochemical measurements were made with a mixture of CTAB and CMV as the surfactant. Cyclic voltammetry was used to study the electrochemistry of CMV incorporated in the cubic and lamellar phases that were spread on a gold electrode. The E 0 -values in the cubic samples were more negative (-0.55 V versus SCE) than in the lamellar samples (-0.53 V versus SCE). This can be explained by the higher charge density in the lamellar phase. The diffusion coefficients were also measured in the cubic phase. The mass transport is slowed down about fifty times in the cubic phase compared to in the pure electrolyte. The concentration dependence on the diffusion coefficient was also investigated. No electron hopping could be observed, which suggest that diffusional movement of the redox probe is the main source of charge transport. By placing the samples on a conducting glass slide, spectroelectrochemical investigations were performed. In the lamellar phase strong dimerization was detected at high concentration of viologen, but much less in the cubic phase

Electrochemical properties and diffusion of a redox active surfactant incorporated in bicontinuous cubic and lamellar phase

Energy Technology Data Exchange (ETDEWEB)

Kostela, J. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden)]. E-mail: johan.kostela@fki.uu.se; Elmgren, M. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden); Almgren, M. [Uppsala University, Department of Physical Chemistry, Box 579, S-75123 Uppsala (Sweden)

2005-05-30

The objective of this study was to investigate the electrochemical behaviour of the divalent redox active surfactant, N-cetyl-N'-methylviologen (CMV), in bicontinuous cubic and lamellar phases. The liquid crystalline phases were prepared from the system glycerolmonooleate (GMO)-water (and brine)-cationic surfactant. A comparison of the phase behaviour of GMO with the monovalent cetyltrimethylammonium bromide (CTAB) and the divalent CMV surfactant showed that the surfactants gave about the same effect at the same surface charge density. The electrochemical measurements were made with a mixture of CTAB and CMV as the surfactant. Cyclic voltammetry was used to study the electrochemistry of CMV incorporated in the cubic and lamellar phases that were spread on a gold electrode. The E {sup 0}-values in the cubic samples were more negative (-0.55 V versus SCE) than in the lamellar samples (-0.53 V versus SCE). This can be explained by the higher charge density in the lamellar phase. The diffusion coefficients were also measured in the cubic phase. The mass transport is slowed down about fifty times in the cubic phase compared to in the pure electrolyte. The concentration dependence on the diffusion coefficient was also investigated. No electron hopping could be observed, which suggest that diffusional movement of the redox probe is the main source of charge transport. By placing the samples on a conducting glass slide, spectroelectrochemical investigations were performed. In the lamellar phase strong dimerization was detected at high concentration of viologen, but much less in the cubic phase.

Oriented Structure of Pentablock Copolymers Induced by Solution Extrusion

Science.gov (United States)

Harada, Tamotsu; Bates, Frank S.; Lodge, Timothy P.

2002-03-01

Highly oriented structure of a poly(styrene-co-butadiene) pentablock copolymer (Mw; 104,700 g/mol, weight percentage of polybutadiene blocks; 29 wt of concentrated solutions. The pentablock copolymer was dissolved into mixtures of toluene and heptane, and the polymer concentration ranged from 40 wt extrusion, the pentablock copolymer was solidified either by coagulation in methanol or by evaporation of the solvent. Interestingly, a highly oriented lamellar structure was confirmed through the small angle X-ray scattering over a specific range of heptane composition, which is a good solvent for polybutadiene, although the hexagonal cylinder morphology was identified for the melt sample. The transition from the oriented lamellar to highly oriented cylinder structure was observed by annealing the samples at temperatures above the glass transition temperature of polystyrene. Moreover, a transition from parallel to perpendicular orientation in the lamellar state was observed with an increase of the extrusion shear rate. A comparison between pentablock and triblock copolymers will be also discussed.

The ultra-structural organization of the elastic network in the intra- and inter-lamellar matrix of the intervertebral disc.

Science.gov (United States)

Tavakoli, J; Elliott, D M; Costi, J J

2017-08-01

The inter-lamellar matrix (ILM)-located between adjacent lamellae of the annulus fibrosus-consists of a complex structure of elastic fibers, while elastic fibers of the intra-lamellar region are aligned predominantly parallel to the collagen fibers. The organization of elastic fibers under low magnification, in both inter- and intra-lamellar regions, was studied by light microscopic analysis of histologically prepared samples; however, little is known about their ultrastructure. An ultrastructural visualization of elastic fibers in the inter-lamellar matrix is crucial for describing their contribution to structural integrity, as well as mechanical properties of the annulus fibrosus. The aims of this study were twofold: first, to present an ultrastructural analysis of the elastic fiber network in the ILM and intra-lamellar region, including cross section (CS) and in-plane (IP) lamellae, of the AF using Scanning Electron Microscopy (SEM) and second, to -compare the elastic fiber orientation between the ILM and intra-lamellar region. Four samples (lumbar sheep discs) from adjacent sections (30μm thickness) of anterior annulus were partially digested by a developed NaOH-sonication method for visualization of elastic fibers by SEM. Elastic fiber orientation and distribution were quantified relative to the tangential to circumferential reference axis. Visualization of the ILM under high magnification revealed a dense network of elastic fibers that has not been previously described. Within the ILM, elastic fibers form a complex network, consisting of different size and shape fibers, which differed to those located in the intra-lamellar region. For both regions, the majority of fibers were oriented near 0° with respect to tangential to circumferential (TCD) direction and two minor symmetrical orientations of approximately±45°. Statistically, the orientation of elastic fibers between the ILM and intra-lamellar region was not different (p=0.171). The present study used

Morphological abnormalities and apoptosis in lamellar tissue of equines after intestinal obstruction and treatment with hydrocortisone

Directory of Open Access Journals (Sweden)

L.M Laskoski

2010-12-01

Full Text Available Four experimental groups of equines were used in order to study morphological abnormalities and apoptosis in lamellar tissue. Group Cg (control was composed of animals without any surgical procedure; group Ig (instrumented, animals that underwent enterotomy; group Tg (treated, animals that were subjected to intestinal obstruction and were treated with hydrocortisone; and group Ug (untreated, animals that were subjected to intestinal obstruction without treatment. The lamellar tissue was analyzed regarding the presence of tissue abnormalities and apoptosis. No morphological abnormalities were observed in animals of surgical groups, and no difference in apoptosis was observed between groups. It was concluded that intestinal obstruction allowed laminitis to develop, probably by systemic activation, and that the maneuvers performed in the enterotomy aggravated the process. Hydrocortisone did not aggravate the lesions of the lamellar tissue

Roles of beta-turns in protein folding: from peptide models to protein engineering.

Science.gov (United States)

Marcelino, Anna Marie C; Gierasch, Lila M

2008-05-01

Reverse turns are a major class of protein secondary structure; they represent sites of chain reversal and thus sites where the globular character of a protein is created. It has been speculated for many years that turns may nucleate the formation of structure in protein folding, as their propensity to occur will favor the approximation of their flanking regions and their general tendency to be hydrophilic will favor their disposition at the solvent-accessible surface. Reverse turns are local features, and it is therefore not surprising that their structural properties have been extensively studied using peptide models. In this article, we review research on peptide models of turns to test the hypothesis that the propensities of turns to form in short peptides will relate to the roles of corresponding sequences in protein folding. Turns with significant stability as isolated entities should actively promote the folding of a protein, and by contrast, turn sequences that merely allow the chain to adopt conformations required for chain reversal are predicted to be passive in the folding mechanism. We discuss results of protein engineering studies of the roles of turn residues in folding mechanisms. Factors that correlate with the importance of turns in folding indeed include their intrinsic stability, as well as their topological context and their participation in hydrophobic networks within the protein's structure.

Solution of the Markov chain for the dead time problem

International Nuclear Information System (INIS)

Degweker, S.B.

1997-01-01

A method for solving the equation for the Markov chain, describing the effect of a non-extendible dead time on the statistics of time correlated pulses, is discussed. The equation, which was derived in an earlier paper, describes a non-linear process and is not amenable to exact solution. The present method consists of representing the probability generating function as a factorial cumulant expansion and neglecting factorial cumulants beyond the second. This results in a closed set of non-linear equations for the factorial moments. Stationary solutions of these equations, which are of interest for calculating the count rate, are obtained iteratively. The method is applied to the variable dead time counter technique for estimation of system parameters in passive neutron assay of Pu and reactor noise analysis. Comparisons of results by this method with Monte Carlo calculations are presented. (author)

Reverse osmosis desalination of chitosan cross-linked graphene oxide/titania hybrid lamellar membranes.

Science.gov (United States)

Deng, Hui; Sun, Penzhan; Zhang, Yingjiu; Zhu, Hongwei

2016-07-08

With excellent mass transport properties, graphene oxide (GO)-based lamellar membranes are believed to have great potential in water desalination. In order to quantify whether GO-based membranes are indeed suitable for reverse osmosis (RO) desalination, three sub-micrometer thick GO-based lamellar membranes: GO-only, reduced GO (RGO)/titania (TO) nanosheets and RGO/TO/chitosan (CTS) are prepared, and their RO desalination performances are evaluated in a home-made RO test apparatus. The photoreduction of GO by TO improves the salt rejection, which increases slowly with the membrane thickness. The RGO/TO/CTS hybrid membranes exhibit higher rejection rates of only about 30% (greater than threefold improvement compared with a GO-only membrane) which is still inferior compared to other commercial RO membranes. The low rejection rates mainly arise from the pressure-induced weakening of the ion-GO interlayer interactions. Despite the advantages of simple, low-cost preparation, high permeability and selectivity of GO-based lamellar membranes, as the current desalination performances are not high enough to afford practical application, there still remains a great challenge to realize high performance separation membranes for water desalination applications.

Modeling of aqueous electrolyte solutions with perturbed-chain statistical associated fluid theory

DEFF Research Database (Denmark)

Cameretti, Luca F.; Sadowski, Gabriele; Mollerup, Jørgen

2005-01-01

The vapor pressures and liquid densities of single-salt electrolyte solutions containing NaCl, LiCl, KCl, NaBr, LiBr, KBr, NaI, LiI, KI, Li2SO4, Na2SO4, and K2SO4 were modeled with an equation of state based on perturbed-chain statistical associated fluid theory (PC-SAFT). The PC-SAFT model...

Contaminant transport in fractured porous media: analytical solution for a two-member decay chain in a single fracture

International Nuclear Information System (INIS)

Sudicky, E.A.; Frind, E.O.

1984-01-01

An analytical solution is presented for the problem of radionuclide chain decay during transport through a discrete fracture situated in a porous rock matrix. The solution takes into account advection along the fracture, molecular diffusion from the fracture to the porous matrix, adsorption on the fracture face, adsorption in the rock matrix, and radioactive decay. The solution for the daughter product is in the form of a double integral which is evaluated by Gauss-Legendre quadrature. Results show that the daughter product tends to advance ahead of the parent nuclide even when the half-life of the parent is larger. This is attributed to the effect of chain decay in the matrix, which tends to reduce the diffusive loss of the daughter along the fracture. The examples also demonstrate that neglecting the parent nuclide and modeling its daughter as a single species can result in significant overestimation of arrival times at some point along the fracture. Although the analytical solution is restricted to a two-member chain for practical reasons, it represents a more realistic description of nuclide transport along a fracture than available single-species models. The solution may be of use for application to other contaminants undergoing different types of first-order transformation reactions

Analytical solution to the diffusion, sorption and decay chain equation in a saturated porous medium between two reservoirs

International Nuclear Information System (INIS)

Guzman, Juan; Maximov, Serguei; Escarela-Perez, Rafael; López-García, Irvin; Moranchel, Mario

2015-01-01

The diffusion and distribution coefficients are important parameters in the design of barrier systems used in radioactive repositories. These coefficients can be determined using a two-reservoir configuration, where a saturated porous medium is allocated between two reservoirs filled by stagnant water. One of the reservoirs contains a high concentration of radioisotopes. The goal of this work is to obtain an analytical solution for the concentration of all radioisotopes in the decay chain of a two-reservoir configuration. The analytical solution must be obtained by taking into account the diffusion and sorption processes. Concepts such as overvalued concentration, diffusion and decay factors are employed to this end. It is analytically proven that a factor of the solution is identical for all chains (considering a time scaling factor), if certain parameters do not change. In addition, it is proven that the concentration sensitivity, due to the distribution coefficient variation, depends of the porous medium thickness, which is practically insensitive for small porous medium thicknesses. The analytical solution for the radioisotope concentration is compared with experimental and numerical results available in literature. - Highlights: • Saturated porous media allocated between two reservoirs. • Analytical solution of the isotope transport equation. • Transport considers diffusion, sorption and decay chain

Influence of biopolymers on the solubility of branched-chain amino acids and stability of their solutions.

Science.gov (United States)

Hong, Chi Rac; Lee, Gyu Whan; Paik, Hyun-Dong; Chang, Pahn-Shick; Choi, Seung Jun

2018-01-15

This study confirmed the possibility of biopolymer-type stabilizers to increase the saturation concentration of branched-chain amino acids by preventing their crystallization/precipitation. Although microfluidization increased the initial solubility, it failed to increase the saturation concentration of the branched-chain amino acids. The saturation concentration of the branched-chain amino acids increased from 3.81% to 4.42% and 4.85% after the incorporation of food hydrocolloids and proteins, respectively. However, the branched-chain amino acids:stabilizer ratio did not affect the solubility. In the case of food hydrocolloid-based solutions, crystal formation and growth of branched-chain amino acids occurred during storage, resulting in the precipitation of branched-chain amino acid crystals. However, food proteins effectively increased the stability of the solubilized branched-chain amino acids. The improved solubility and stability of the solubilized branched-chain amino acids could be attributed to interactions between the functional groups (carboxyl, amine, sulfate, aliphatic, aromatic, etc.) of the stabilizer and the branched-chain amino acid molecules. Copyright © 2017 Elsevier Ltd. All rights reserved.

Lipid polymorphism of mixtures of dioleoylphosphatidylethanolamine and saturated and monounsaturated phosphatidylcholines of various chain lengths

International Nuclear Information System (INIS)

Tate, M.W.; Gruner, S.M.

1987-01-01

The L/sub α/-H/sub II/ phase transition behavior of many lipid-water liquid crystals is dominated by the competition between the tendency to curl the lipid layers to an intrinsic radius of curvature and opposing hydrocarbon packing constraints. In particular, packing constraints can increase the free energy of the inverted hexagonal (H/sub II/) phase as compared to that of the lamellar (L/sub α/) phase. This is especially true where the lipid molecule is not long enough to reach into the corners of the lattice in large hexagonal structures necessitated by a large radius of curvature.In this paper it is shown that the addition of a minor fraction long-chain lipid to a system of otherwise uniform chain composition can also relax packing constraints, thereby lowering the lamellar to hexagonal transition temperature. For the specific systems used, dioleoylphosphatidylethanolamine (di-18:1/sub c/-PE) with minor fractions of 1,2-diacyl-sn-glycero-3-phosphocholines [di-n:1/sub c/-PC (n = 14, 18, 22, and 24)], the observed H/sub II/lattices systematically increased in size with increasing chain length suggesting that the chain length also may affect the intrinsic curvature of the mixture. These experiments demonstrate that the lipid shape concept, which is a qualitative expression of the concept quantitatively described by the intrinsic radius of curvature, is insufficient to understand the L/sub α/-H/sub II/ transition. It is necessary to, at least, consider the competition between curvature and packing

Negative Charge Neutralization in the Loops and Turns of Outer Membrane Phospholipase A Impacts Folding Hysteresis at Neutral pH.

Science.gov (United States)

McDonald, Sarah K; Fleming, Karen G

2016-11-08

Hysteresis in equilibrium protein folding titrations is an experimental barrier that must be overcome to extract meaningful thermodynamic quantities. Traditional approaches to solving this problem involve testing a spectrum of solution conditions to find ones that achieve path independence. Through this procedure, a specific pH of 3.8 was required to achieve path independence for the water-to-bilayer equilibrium folding of outer membrane protein OmpLA. We hypothesized that the neutralization of negatively charged side chains (Asp and Glu) at pH 3.8 could be the physical basis for path-independent folding at this pH. To test this idea, we engineered variants of OmpLA with Asp → Asn and Glu → Gln mutations to neutralize the negative charges within various regions of the protein and tested for reversible folding at neutral pH. Although not fully resolved, our results show that these mutations in the periplasmic turns and extracellular loops are responsible for 60% of the hysteresis in wild-type folding. Overall, our study suggests that negative charges impact the folding hysteresis in outer membrane proteins and their neutralization may aid in protein engineering applications.

Flow induced/ refined solution crystallization of a semiconducting polymer

Science.gov (United States)

Nguyen, Ngoc A.

Organic photovoltaics, a new generation of solar cells, has gained scientific and economic interests due to the ability of solution-processing and potentially low-cost power production. Though, the low power conversion efficiency of organic/ plastic solar cells is one of the most pertinent challenges that has appealed to research communities from many different fields including materials science and engineering, electrical engineering, chemical engineering, physics and chemistry. This thesis focuses on investigating and controlling the morphology of a semi-conducting, semi-crystalline polymer formed under shear-flow. Molecular structures and processing techniques are critical factors that significantly affect the morphology formation in the plastic solar cells, thus influencing device performance. In this study, flow-induced solution crystallization of poly (3-hexylthiophene) (P3HT) in a poor solvent, 2-ethylnapthalene (2-EN) was utilized to make a paint-like, structural liquid. The polymer crystals observed in this structured paint are micrometers long, nanometers in cross section and have a structure similar to that formed under quiescent conditions. There is pi-pi stacking order along the fibril axis, while polymer chain folding occurs along the fibril width and the order of the side-chain stacking is along fibril height. It was revealed that shear-flow not only induces P3HT crystallization from solution, but also refines and perfects the P3HT crystals. Thus, a general strategy to refine the semiconducting polymer crystals from solution under shear-flow has been developed and employed by simply tuning the processing (shearing) conditions with respect to the dissolution temperature of P3HT in 2-EN. The experimental results demonstrated that shear removes defects and allows more perfect crystals to be formed. There is no glass transition temperature observed in the crystals formed using the flow-induced crystallization indicating a significantly different

Structure-rheology relationship in a sheared lamellar fluid.

Science.gov (United States)

Jaju, S J; Kumaran, V

2016-03-01

The structure-rheology relationship in the shear alignment of a lamellar fluid is studied using a mesoscale model which provides access to the lamellar configurations and the rheology. Based on the equations and free energy functional, the complete set of dimensionless groups that characterize the system are the Reynolds number (ργL(2)/μ), the Schmidt number (μ/ρD), the Ericksen number (μγ/B), the interface sharpness parameter r, the ratio of the viscosities of the hydrophilic and hydrophobic parts μ(r), and the ratio of the system size and layer spacing (L/λ). Here, ρ and μ are the fluid density and average viscosity, γ is the applied strain rate, D is the coefficient of diffusion, B is the compression modulus, μ(r) is the maximum difference in the viscosity of the hydrophilic and hydrophobic parts divided by the average viscosity, and L is the system size in the cross-stream direction. The lattice Boltzmann method is used to solve the concentration and momentum equations for a two dimensional system of moderate size (L/λ=32) and for a low Reynolds number, and the other parameters are systematically varied to examine the qualitative features of the structure and viscosity evolution in different regimes. At low Schmidt numbers where mass diffusion is faster than momentum diffusion, there is fast local formation of randomly aligned domains with "grain boundaries," which are rotated by the shear flow to align along the extensional axis as time increases. This configuration offers a high resistance to flow, and the layers do not align in the flow direction even after 1000 strain units, resulting in a viscosity higher than that for an aligned lamellar phase. At high Schmidt numbers where momentum diffusion is fast, the shear flow disrupts layers before they are fully formed by diffusion, and alignment takes place by the breakage and reformation of layers by shear, resulting in defects (edge dislocations) embedded in a background of nearly aligned layers

Exact folded-band chaotic oscillator.

Science.gov (United States)

Corron, Ned J; Blakely, Jonathan N

2012-06-01

An exactly solvable chaotic oscillator with folded-band dynamics is shown. The oscillator is a hybrid dynamical system containing a linear ordinary differential equation and a nonlinear switching condition. Bounded oscillations are provably chaotic, and successive waveform maxima yield a one-dimensional piecewise-linear return map with segments of both positive and negative slopes. Continuous-time dynamics exhibit a folded-band topology similar to Rössler's oscillator. An exact solution is written as a linear convolution of a fixed basis pulse and a discrete binary sequence, from which an equivalent symbolic dynamics is obtained. The folded-band topology is shown to be dependent on the symbol grammar.

Adjustable chain trees for proteins

DEFF Research Database (Denmark)

Winter, Pawel; Fonseca, Rasmus

2012-01-01

A chain tree is a data structure for changing protein conformations. It enables very fast detection of clashes and free energy potential calculations. A modified version of chain trees that adjust themselves to the changing conformations of folding proteins is introduced. This results in much...... tighter bounding volume hierarchies and therefore fewer intersection checks. Computational results indicate that the efficiency of the adjustable chain trees is significantly improved compared to the traditional chain trees....

Creep mechanisms of fully-lamellar TiAl based upon interface sliding

International Nuclear Information System (INIS)

Hsiung, L.M.; Nieh, T.G.

1999-01-01

Deformation mechanisms of fully lamellar TiAl with a refined microstructure (γ lamellae: 100 approximately 300 nm thick, α 2 lamellae: 10 approximately 50 nm thick) crept at 760 C have been investigated. As a result of a fine structure, the motion and multiplication of lattice dislocations within both γ and α 2 lamellae are limited at low creep stresses ( 2 and γ/γ interfaces (i.e., interface sliding) is proposed to be the dominant deformation mechanism at low stresses. Lattice dislocations impinged on lamellar interfaces are found to be the major obstacles impeding the motion of interfacial dislocations. The number of impinged lattice dislocations increases as the applied stress increases and, subsequently, causes the pileup of interfacial dislocations along the interfaces. Accordingly, deformation twinning activated by the pileup of interfacial dislocations is proposed to be the dominant deformation mechanism at high stresses (>400 MPa)

A Quantitative Study of Tethered Chains in Various Solution Conditions Using Langmuir Diblock Copolymer Monolayers

Energy Technology Data Exchange (ETDEWEB)

Kent, Michael S.

1999-08-13

This article summarizes our investigations of tethered chain systems using Langmuir monolayer of polydimethysiloxane-poly styrene (PDMS-PS) diblock copolymers on organic liquids. In this system, the PDMS block adsorbs to the air surface while the PS block dangles into the subphase liquid. The air surface can be made either repulsive or attractive for the tethered PS chain segments by choosing a subphase liquid which has a surface tension lower or greater than that of PS, respectively. The segment profile of the PS block is determined by neutron reflection as a function of the surface density, the molecular weights of the PS and PDMS blocks, and the solution conditions. We cover the range of reduced surface density (SIGMA) characteristic of the large body of data in the literature for systems of chains tethered onto solid surfaces from dilute solution in good or theta solvent conditions (SIGMA < 12). We emphasize quantitative comparisons with analytical profile forms and scaling predictions. We find that the strong-stretching limit invoked in analytical SCF and scaling theories is not valid over this Z range. On the other hand, over a large portion of this range (SIGMA < 5) tethered layers are well described by a renormalization group theory addressing weakly interacting or noninteracting chains. Simultaneous with the study of the profile form, the free energy of the chains is examined through the surface tension. A strong increase in the surface pressure is observed with increasing surface density which determines the maximum surface density which can be achieved. This apparently nonequilibrium effect is attributed to steric interactions and limited lateral interpenetration. This effect may explain several outstanding discrepancies regarding the adsorption of end-functionalized chains and diblock copolymers onto solid surfaces.

Evaluation of Biaxial Mechanical Properties of Aortic Media Based on the Lamellar Microstructure

Directory of Open Access Journals (Sweden)

Hadi Taghizadeh

2015-01-01

Full Text Available Evaluation of the mechanical properties of arterial wall components is necessary for establishing a precise mechanical model applicable in various physiological and pathological conditions, such as remodeling. In this contribution, a new approach for the evaluation of the mechanical properties of aortic media accounting for the lamellar structure is proposed. We assumed aortic media to be composed of two sets of concentric layers, namely sheets of elastin (Layer I and interstitial layers composed of mostly collagen bundles, fine elastic fibers and smooth muscle cells (Layer II. Biaxial mechanical tests were carried out on human thoracic aortic samples, and histological staining was performed to distinguish wall lamellae for determining the dimensions of the layers. A neo-Hookean strain energy function (SEF for Layer I and a four-parameter exponential SEF for Layer II were allocated. Nonlinear regression was used to find the material parameters of the proposed microstructural model based on experimental data. The non-linear behavior of media layers confirmed the higher contribution of elastic tissue in lower strains and the gradual engagement of collagen fibers. The resulting model determines the nonlinear anisotropic behavior of aortic media through the lamellar microstructure and can be assistive in the study of wall remodeling due to alterations in lamellar structure during pathological conditions and aging.

On the mechanism of crack propagation resistance of fully lamellar TiAl alloy

International Nuclear Information System (INIS)

Cao, R.; Yao, H.J.; Chen, J.H.; Zhang, J.

2006-01-01

The study was done using notched two-colony thick tensile specimens of a directionally solidified cast fully lamellar TiAl alloy. In-situ observations of fracture processes in scanning electron microscope (SEM) were combined with section-to-section related observations of fracture surfaces to investigate the crack growth process. Finite element method (FEM) calculations are carried out to evaluate the stresses for propagating cracks. The results reveal that: (1) the reason why enhancement of applied load is required to propagate the main crack, was attributed to that the main crack observed at the surface did not extend all the way through the specimen's thickness thus the stress field was still controlled by the notch, in which a definite stress required for extending a crack tip should be kept by increasing the applied load. (2) Crack propagation resistance is enhanced at colony boundaries, only when a change occurs from an inter-lamellar propagation to a trans-lamellar propagation (3) Ligament bridging toughening phenomena can be integrated into aforementioned mechanism. As a whole the processes of new crack nucleation with bridging ligament formation decreases the crack propagation resistance rather than increasing it. (4) In case the majority of microcracks are surface cracks, the effect of microcrack shielding is not obvious

Mechanical contribution of lamellar and interlamellar elastin along the mouse aorta.

Science.gov (United States)

Clark, T E; Lillie, M A; Vogl, A W; Gosline, J M; Shadwick, R E

2015-10-15

The mechanical properties of aortic elastin vary regionally, but the microstructural basis for this variation is unknown. This study was designed to identify the relative contributions of lamellar and interlamellar elastin to circumferential load bearing in the mouse thoracic and abdominal aortas. Forces developed in uniaxial tests of samples of fresh and autoclaved aorta were correlated with elastin content and morphology obtained from histology and multiphoton laser scanning microscopy. Autoclaving should render much of the interlamellar elastin mechanically incompetent. In autoclaved tissue force per unit sample width correlated with lamellar elastin content (P≪0.001) but not total elastin content. In fresh tissue at low strain where elastin dominates the mechanical response, forces were higher than in the autoclaved tissue, but force did not correlate with total elastin content. Therefore although interlamellar elastin likely contributed to the stiffness in the fresh aorta, its contribution appeared not in proportion to its quantity. In both fresh and autoclaved tissue, elastin stiffness consistently decreased along the abdominal aorta, a key area for aneurysm development, and this difference could not be fully accounted for on the basis of either lamellar or total elastin content. These findings are relevant to the development of mathematical models of arterial mechanics, particularly for mouse models of arterial diseases involving elastic tissue. In microstructural based models the quantity of each mural constituent determines its contribution to the total response. This study shows elastin's mechanical response cannot necessarily be accounted for on the basis of fibre quantity, orientation, and modulus. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characterization by Raman scattering, x-ray diffraction, and transmission electron microscopy of (AlAs)m(InAs)m short period superlattices grown by migration enhanced epitaxy

DEFF Research Database (Denmark)

Bradshaw, J.; Song, X.J.; Shealy, J.R.

1992-01-01

We report growth of (InAs)1(AlAs)1 and (InAs)2(AlAs)2 strained layer superlattices by migration enhanced epitaxy. The samples were grown on InP (001) substrates and characterized by Raman spectroscopy, x-ray diffraction, and transmission electron microscopy. Satellite peaks in the x-ray data...... confirm the intended periodicity and indicate the presence of some disorder in the monolayer sample. The energies of the zone folded and quantum confined optic phonons are in reasonable agreement with calculations based on one-dimensional elastic continuum and linear chain models. Journal of Applied...

CdSe nanoparticles grown via radiolytic methods in aqueous solutions

International Nuclear Information System (INIS)

Singh, Shalini; Rath, M.C.; Singh, A.K.; Mukherjee, T.; Jayakumar, O.D.; Tyagi, A.K.; Sarkar, S.K.

2011-01-01

Cadmium selenide, CdSe, nanoparticles have been synthesized in aqueous solution containing equimolar ammoniated CdSO 4 and Na 2 SeSO 3 as the starting materials without any capping agents, using gamma and electron beam irradiation under a reducing condition. The radiolytic processes occurring in water result in the formation of CdSe nanoparticles through the reactions mediated by hydrated electrons, e aq - . TEM measurements revealed that the CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. The as-grown nanoparticles were of cubic crystalline phase as supported by the XRD measurements. These bare CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. However, the RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation, which was attributed to their relatively smaller size (2-3 nm) and disordered structures as compared to those obtained in the later case (3-5 nm). -- Research highlights: → CdSe nanoparticles could be synthesized in aqueous solutions containing equimolar ammoniated CdSO 4 and Na 2 SeSO 3 as the starting materials using gamma and electron beam irradiation under a reducing condition. → CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. → CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. → The RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation.

Flexible polyelectrolyte chain in a strong electrolyte solution: Insight into equilibrium properties and force-extension behavior from mesoscale simulation

Science.gov (United States)

Malekzadeh Moghani, Mahdy; Khomami, Bamin

2016-01-01

Macromolecules with ionizable groups are ubiquitous in biological and synthetic systems. Due to the complex interaction between chain and electrostatic decorrelation lengths, both equilibrium properties and micro-mechanical response of dilute solutions of polyelectrolytes (PEs) are more complex than their neutral counterparts. In this work, the bead-rod micromechanical description of a chain is used to perform hi-fidelity Brownian dynamics simulation of dilute PE solutions to ascertain the self-similar equilibrium behavior of PE chains with various linear charge densities, scaling of the Kuhn step length (lE) with salt concentration cs and the force-extension behavior of the PE chain. In accord with earlier theoretical predictions, our results indicate that for a chain with n Kuhn segments, lE ˜ cs-0.5 as linear charge density approaches 1/n. Moreover, the constant force ensemble simulation results accurately predict the initial non-linear force-extension region of PE chain recently measured via single chain experiments. Finally, inspired by Cohen's extraction of Warner's force law from the inverse Langevin force law, a novel numerical scheme is developed to extract a new elastic force law for real chains from our discrete set of force-extension data similar to Padè expansion, which accurately depicts the initial non-linear region where the total Kuhn length is less than the thermal screening length.

Fabrication and characterization of large size 6LiF/CaF2:Eu eutectic composites with the ordered lamellar structure

International Nuclear Information System (INIS)

Kawaguchi, Noriaki; Fukuda, Kentaro; Yanagida, Takayuki; Fujimoto, Yutaka; Yokota, Yuui; Suyama, Toshihisa; Watanabe, Kenichi; Yamazaki, Atsushi; Yoshikawa, Akira

2011-01-01

As alternative candidates for the 3 He neutron detectors, 6 LiF/CaF 2 :Eu eutectic composites were fabricated and their scintillation properties were evaluated. Large size LiF/CaF 2 :Eu eutectic composites of 58 mm diameter and 50 mm thickness were produced by Bridgman method. The composites had a finely ordered lamellar structure along the solidification direction. The lamellar structure was controlled by the direction and the rate of solidification, and it was optimized to improve the scintillation properties. Better results were achieved when thinner lamellar layers were aligned along the scintillation light path.

Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K

International Nuclear Information System (INIS)

Varfolomeev, Mikhail A.; Novikov, Vladimir B.; Nagrimanov, Ruslan N.; Solomonov, Boris N.

2015-01-01

Highlights: • Solution enthalpies of 18 branching-chain alkyl aromatic and aliphatic compounds in cyclohexane were measured. • Group contributions to the enthalpy of solvation due to branching and substitution in carbon chain were evaluated. • Modified solution calorimetry based approach for determination of vaporization/sublimation enthalpies was proposed. • This approach provides vaporization/sublimation enthalpies directly at T = 298.15 K. • Vaporization/sublimation enthalpies of 35 branched-chain alkyl aromatic and aliphatic compounds were determined. - Abstract: The enthalpies of solution, solvation and vaporization/sublimation are interrelated values combined in the simplest thermodynamic circle. Hence, experimental determination of vaporization/sublimation enthalpy can be substituted by experimentally simpler determination of solution enthalpy when solvation enthalpy is known. Previously it was found that solvation enthalpies of a wide range of unbranched aliphatic and aromatic solutes in saturated hydrocarbons are in good linear correlation with their molar refraction values. This allows to estimate the vaporization/sublimation enthalpy of any unbranched organic compound from its solution enthalpy in saturated hydrocarbon and molar refraction. In the present work this approach was modified for determination of vaporization/sublimation enthalpy of branched-chain alkyl aromatic and aliphatic compounds. Group contributions to the enthalpy of solvation due to the branching of carbon chain were evaluated. Enthalpies of solution at infinite dilution of 18 branched-chain aliphatic and alkyl aromatic compounds were measured at T = 298.15 K. Vaporization/sublimation enthalpies for 35 branched aliphatic and alkyl aromatic compounds were determined by using modified solution calorimetry approach. These values are in good agreement with available literature data on vaporization/sublimation enthalpies obtained by conventional methods.

Microstructure of Pharmaceutical Semicrystalline Dispersions: The Significance of Polymer Conformation.

Science.gov (United States)

Van Duong, Tu; Goderis, Bart; Van Humbeeck, Jan; Van den Mooter, Guy

2018-02-05

The microstructure of pharmaceutical semicrystalline solid dispersions has attracted extensive attention due to its complexity that might result in the diversity in physical stability, dissolution behavior, and pharmaceutical performance of the systems. Numerous factors have been reported that dictate the microstructure of semicrystalline dispersions. Nevertheless, the importance of the complicated conformation of the polymer has never been elucidated. In this study, we investigate the microstructure of dispersions of polyethylene glycol and active pharmaceutical ingredients by small-angle X-ray scattering and high performance differential scanning calorimetry. Polyethylene glycol with molecular weight of 2000 g/mol (PEG2000) and 6000 g/mol (PEG6000) exhibited remarkable discrepancy in the lamellar periodicity in dispersions with APIs which was attributed to the differences in their folding behavior. The long period of PEG2000 always decreased upon aging-induced exclusion of APIs from the interlamellar region of extended chain crystals whereas the periodicity of PEG6000 may decrease or increase during storage as a consequence of the competition between the drug segregation and the lamellar thickening from nonintegral-folded into integral-folded chain crystals. These processes were in turn significantly influenced by the crystallization tendency of the pharmaceutical compounds, drug-polymer interactions, as well as the dispersion composition and crystallization temperature. This study highlights the significance of the polymer conformation on the microstructure of semicrystalline systems that is critical for the preparation of solid dispersions with consistent and reproducible quality.

Digital pile-up rejection for plutonium experiments with solution-grown stilbene

Energy Technology Data Exchange (ETDEWEB)

Bourne, M.M., E-mail: mmbourne@umich.edu; Clarke, S.D., E-mail: clarkesd@umich.edu; Paff, M., E-mail: mpaff@umich.edu; DiFulvio, A., E-mail: difulvio@umich.edu; Norsworthy, M., E-mail: marknors@umich.edu; Pozzi, S.A., E-mail: pozzisa@umich.edu

2017-01-11

A solution-grown stilbene detector was used in several experiments with plutonium samples including plutonium oxide, mixed oxide, and plutonium metal samples. Neutrons from different reactions and plutonium isotopes are accompanied by numerous gamma rays especially by the 59-keV gamma ray of {sup 241}Am. Identifying neutrons correctly is important for nuclear nonproliferation applications and makes neutron/gamma discrimination and pile-up rejection necessary. Each experimental dataset is presented with and without pile-up filtering using a previously developed algorithm. The experiments were simulated using MCNPX-PoliMi, a Monte Carlo code designed to accurately model scintillation detector response. Collision output from MCNPX-PoliMi was processed using the specialized MPPost post-processing code to convert neutron energy depositions event-by-event into light pulses. The model was compared to experimental data after pulse-shape discrimination identified waveforms as gamma ray or neutron interactions. We show that the use of the digital pile-up rejection algorithm allows for accurate neutron counting with stilbene to within 2% even when not using lead shielding.

Transient intermediates are populated in the folding pathways of single-domain two-state folding protein L

Science.gov (United States)

Maity, Hiranmay; Reddy, Govardhan

2018-04-01

Small single-domain globular proteins, which are believed to be dominantly two-state folders, played an important role in elucidating various aspects of the protein folding mechanism. However, recent single molecule fluorescence resonance energy transfer experiments [H. Y. Aviram et al. J. Chem. Phys. 148, 123303 (2018)] on a single-domain two-state folding protein L showed evidence for the population of an intermediate state and it was suggested that in this state, a β-hairpin present near the C-terminal of the native protein state is unfolded. We performed molecular dynamics simulations using a coarse-grained self-organized-polymer model with side chains to study the folding pathways of protein L. In agreement with the experiments, an intermediate is populated in the simulation folding pathways where the C-terminal β-hairpin detaches from the rest of the protein structure. The lifetime of this intermediate structure increased with the decrease in temperature. In low temperature conditions, we also observed a second intermediate state, which is globular with a significant fraction of the native-like tertiary contacts satisfying the features of a dry molten globule.

Folded Plate Structures as Building Envelopes

DEFF Research Database (Denmark)

Falk, Andreas; Buelow, Peter von; Kirkegaard, Poul Henning

2012-01-01

This paper treats applications of cross-laminated timber (CLT) in structural systems for folded façade solutions. Previous work on CLT-based systems for folded roofs has shown a widening range of structural possibilities to develop timber-based shells. Geometric and material properties play...... CLT-based systems, which are studied and analysed by using a combination of digital tools for structural and environmental design and analysis. The results show gainful, rational properties of folded systems and beneficial effects from an integration of architectural and environmental performance...... criteria in the design of CLT-based façades....

Growth crystallography and lamellar to rod transition in directionally solidified Nb--Nb2C eutectic composites

International Nuclear Information System (INIS)

David, S.A.; Santhanam, A.T.; Brody, H.D.

1976-01-01

The transition in morphology of the carbide phase is discussed in terms of the relative volume fraction of the phases, growth rate, and orientation relationships. The carbide morphology is influenced by the growth rate and carbon content. For constant growth rate increasing the volume fraction of the carbide phase favors the lamellar morphology. At low growth rates the lamellar morphology is favored, and at high growth rates the rod-like morphology is favored. Growth crystallography has no direct influence on the transition in carbide morphology

Analytic theory of soft x-ray diffraction by lamellar multilayer gratings

NARCIS (Netherlands)

Kozhevnikov, I.V.; van der Meer, R.; Bastiaens, Hubertus M.J.; Boller, Klaus J.; Bijkerk, Frederik

2011-01-01

An analytic theory describing soft x-ray diffraction by Lamellar Multilayer Gratings (LMG) has been developed. The theory is derived from a coupled waves approach for LMGs operating in the single-order regime, where an incident plane wave can only excite a single diffraction order. The results from

Inverse cutting of posterior lamellar corneal grafts by a femtosecond laser

DEFF Research Database (Denmark)

Hjortdal, Jesper; Nielsen, Esben; Vestergaard, Anders Højslet

2012-01-01

(range: 1.400 to 2.000 cells per sq. mm). The grafts were of uniform thickness, but substantial interface haze was present in most grafts. Conclusions: Posterior lamellar corneal grafts can be prepared from the endothelial side using a femto-second laser. All grafts were clear after 6 months...

Iron clustering in GaSe epilayers grown on GaAs(111)B

International Nuclear Information System (INIS)

Moraes, A R de; Mosca, D H; Mattoso, N; Guimaraes, J L; Klein, J J; Schreiner, W H; Souza, P E N de; Oliveira, A J A de; Vasconcellos, M A Z de; Demaille, D; Eddrief, M; Etgens, V H

2006-01-01

In this paper we report on the structural, morphological and magnetic properties of semiconducting GaSe epilayers, grown by molecular beam epitaxy, doped to different iron contents (ranging from 1 to 22 at.% Fe). Our results indicate that iron forms metallic Fe nanoparticles with diameters ranging from 1 to 20 nm embedded in the crystalline GaSe matrix. The Fe incorporation proceeds by segregation and agglomeration and induces a progressive disruption of the lamellar GaSe epilayers. The magnetization as a function of the temperature for zero-field cooling with the magnetic field parallel to the surface of the sample provides evidence of superparamagnetic behaviour of the nanoparticles. Cathodoluminescence experiments performed at room temperature reveal semiconducting behaviour even for samples with Fe concentrations as high as 20 at.%

Early Events, Kinetic Intermediates and the Mechanism of Protein Folding in Cytochrome c

Directory of Open Access Journals (Sweden)

David S. Kliger

2009-04-01

Full Text Available Kinetic studies of the early events in cytochrome c folding are reviewed with a focus on the evidence for folding intermediates on the submillisecond timescale. Evidence from time-resolved absorption, circular dichroism, magnetic circular dichroism, fluorescence energy and electron transfer, small-angle X-ray scattering and amide hydrogen exchange studies on the t £ 1 ms timescale reveals a picture of cytochrome c folding that starts with the ~ 1-ms conformational diffusion dynamics of the unfolded chains. A fractional population of the unfolded chains collapses on the 1 – 100 ms timescale to a compact intermediate IC containing some native-like secondary structure. Although the existence and nature of IC as a discrete folding intermediate remains controversial, there is extensive high time-resolution kinetic evidence for the rapid formation of IC as a true intermediate, i.e., a metastable state separated from the unfolded state by a discrete free energy barrier. Final folding to the native state takes place on millisecond and longer timescales, depending on the presence of kinetic traps such as heme misligation and proline mis-isomerization. The high folding rates observed in equilibrium molten globule models suggest that IC may be a productive folding intermediate. Whether it is an obligatory step on the pathway to the high free energy barrier associated with millisecond timescale folding to the native state, however, remains to be determined.

Side Chain Engineering in Solution-Processable Conjugated Polymers

KAUST Repository

Mei, Jianguo

2014-01-14

Side chains in conjugated polymers have been primarily utilized as solubilizing groups. However, these side chains have roles that are far beyond. We advocate using side chain engineering to tune a polymer\\'s physical properties, including absorption, emission, energy level, molecular packing, and charge transport. To date, numerous flexible substituents suitable for constructing side chains have been reported. In this Perspective article, we advocate that the side chain engineering approach can advance better designs for next-generation conjugated polymers. © 2013 American Chemical Society.

Self-assembly in casting solutions of block copolymer membranes

KAUST Repository

Marques, Debora S.; Vainio, Ulla; Moreno Chaparro, Nicolas; Calo, Victor M.; Bezahd, Ali Reza; Pitera, Jed W.; Peinemann, Klaus; Nunes, Suzana Pereira

2013-01-01

Membranes with exceptional pore regularity and high porosity were obtained from block copolymer solutions. We demonstrate by small-angle X-ray scattering that the order which gives rise to the pore morphology is already incipient in the casting solution. Hexagonal order was confirmed in PS-b-P4VP 175k-b-65k solutions in DMF/THF/dioxane with concentrations as high as 24 wt%, while lamellar structures were obtained in more concentrated solutions in DMF or DMF/dioxane. The change in order has been understood with the support of dissipative particle dynamic modeling. © 2013 The Royal Society of Chemistry.

Phase transitions of single polymer chains and of polymer solutions: insights from Monte Carlo simulations

International Nuclear Information System (INIS)

Binder, K; Paul, W; Strauch, T; Rampf, F; Ivanov, V; Luettmer-Strathmann, J

2008-01-01

The statistical mechanics of flexible and semiflexible macromolecules is distinct from that of small molecule systems, since the thermodynamic limit can also be approached when the number of (effective) monomers of a single chain (realizable by a polymer solution in the dilute limit) is approaching infinity. One can introduce effective attractive interactions into a simulation model for a single chain such that a swollen coil contracts when the temperature is reduced, until excluded volume interactions are effectively canceled by attractive forces, and the chain conformation becomes almost Gaussian at the theta point. This state corresponds to a tricritical point, as the renormalization group theory shows. Below the theta temperature a fluid globule is predicted (at nonzero concentration then phase separation between dilute and semidilute solutions occurs), while at still lower temperature a transition to a solid phase (crystal or glass) occurs. Monte Carlo simulations have shown, however, that the fluid globule phase may become suppressed, when the range of the effective attractive forces becomes too short, with the result that a direct (ultimately first-order) transition from the swollen coil to the solid occurs. This behavior is analogous to the behavior of colloidal particles with a very short range of attractive forces, where liquid-vapor-type phase separation may be suppressed. Analogous first-order transitions from swollen coils to dense rodlike or toroidal structures occur for semiflexible polymers. Finally, the modifications of the behavior discussed when the polymers are adsorbed at surfaces are also mentioned, and possible relations to wetting behavior of polymer solutions are addressed.

CdSe nanoparticles grown via radiolytic methods in aqueous solutions

Energy Technology Data Exchange (ETDEWEB)

Singh, Shalini [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Rath, M.C., E-mail: madhab@barc.gov.i [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Singh, A.K. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Mukherjee, T. [Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Jayakumar, O.D.; Tyagi, A.K. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Sarkar, S.K. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

2011-06-15

Cadmium selenide, CdSe, nanoparticles have been synthesized in aqueous solution containing equimolar ammoniated CdSO{sub 4} and Na{sub 2}SeSO{sub 3} as the starting materials without any capping agents, using gamma and electron beam irradiation under a reducing condition. The radiolytic processes occurring in water result in the formation of CdSe nanoparticles through the reactions mediated by hydrated electrons, e{sub aq}{sup -}. TEM measurements revealed that the CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. The as-grown nanoparticles were of cubic crystalline phase as supported by the XRD measurements. These bare CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. However, the RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation, which was attributed to their relatively smaller size (2-3 nm) and disordered structures as compared to those obtained in the later case (3-5 nm). -- Research highlights: {yields} CdSe nanoparticles could be synthesized in aqueous solutions containing equimolar ammoniated CdSO{sub 4} and Na{sub 2}SeSO{sub 3} as the starting materials using gamma and electron beam irradiation under a reducing condition. {yields} CdSe nanoparticles were found to exist in agglomerates of dimension of about 100 nm, consisting of primary nanoparticles of dimensions within 5 nm. {yields} CdSe nanoparticles exhibit room temperature ferromagnetic (RTFM) behavior. {yields} The RTFM behavior was found to be 30% higher in the case of CdSe nanoparticles prepared on electron beam irradiation as compared to those obtained by gamma irradiation.

Conformation of Single Pentablock Ionomer Chains in Dilute Solutions

Energy Technology Data Exchange (ETDEWEB)

Aryal, Dipak [Clemson Univ., SC (United States); Perahia, Dvora [Clemson Univ., SC (United States); Grest, Gary S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-04-01

The conformation of single chain pentablock ionomers (A-B-C-B-A) containing randomly sulfonated polystyrene in the center block, tethered to poly-ethylene-r-propylene end-capped by poly-t-butyl styrene is studied in dilute solutions by molecular dynamics simulations. Multi-block copolymers offer a means to tailor several properties into one molecule, taking advantage of their rich phase diagram together with unique properties of specific blocks. For this pentablock the ionic block facilitates transport while the A and B components are incorporated for mechanical stability. The present study investigates the confirmation of a single chain of pentablock ionomer of molecular weight M_w ~ 50,000 g/mol and sulfonated polystyrene of the same molecular weight as that of the center block for six sulfonation fractions f from f=0.0-0.55. For the sulfonated systems Na⁺ counterions are included. Results for the equilibrium conformation of the chains and the three blocks in water and 1:1 mixture of cyclohexane and n-heptane are compared to simulations in implicit poor solvents with dielectric constants ε =1.0 and 77.73. In water, the pentablock is collapsed with sulfonated groups on the outer surface. As the sulfonation fraction f increases, the ionic, center block is increasingly segregated from the hydrophobic regions. In the 1:1 mixture of cyclohexane and heptane both the flexible and end blocks are swollen while the center ionic block is collasped for f>0, while for f=0 all blocks are swollen. In both implicit poor solvents the pentablock is collapsed into a nearly spherical shape for all f. The sodium counterions are dispersed widely throughout the simulation cell for both water and ε =77.73 whereas for ε =1.0 the counterions are largely condensed on the collapsed pentablock.

Polynomial modal analysis of lamellar diffraction gratings in conical mounting.

Science.gov (United States)

Randriamihaja, Manjakavola Honore; Granet, Gérard; Edee, Kofi; Raniriharinosy, Karyl

2016-09-01

An efficient numerical modal method for modeling a lamellar grating in conical mounting is presented. Within each region of the grating, the electromagnetic field is expanded onto Legendre polynomials, which allows us to enforce in an exact manner the boundary conditions that determine the eigensolutions. Our code is successfully validated by comparison with results obtained with the analytical modal method.

Lamellar Micelles - Mediated Synthesis of Nanoscale Thick Sheets of Titania

Czech Academy of Sciences Publication Activity Database

Klusoň, P.; Lusková, H.; Šolcová, Olga; Matějová, Lenka; Cajthaml, Tomáš

2007-01-01

Roč. 61, 14-15 (2007), s. 2931-2934 ISSN 0167-577X R&D Projects: GA ČR(CZ) GA104/04/0963; GA ČR(CZ) GD203/03/H140 Institutional research plan: CEZ:AV0Z40720504; CEZ:AV0Z50200510 Keywords : nanostructures * lamellar titania * templating Subject RIV: CA - Inorganic Chemistry Impact factor: 1.625, year: 2007

LAMELLAR ICHTHYOSIS (COLLODION BABY

Directory of Open Access Journals (Sweden)

Paramarta IGE

2012-11-01

Full Text Available The ichthyosis are a heterogeneous group of hereditary and acquired disorder of keratinization which affected the epidermis characterized by presence of visible scales on the skin surface in the absence of inflammation. It can occur as a disease limited to the skin or in association with abnormalities of other organ systems. Lamelar ihthyosis (LI is one of two mayor autosomal recessive ichthyosis with an incidence of approximately one in 300,000. The diagnosis is based on clinical and pathologic finding. Infection is the most common complication, while prognosis of LI is depends on severity and complication of the disease. A case of lamellar ichthyosis in 0 day Balinese female baby was reported. The skin of the body was thick, plate-like appearance, scaling on the entire body, some of the thick skin was ruptured on chest and extremities. There were eclabium on the mouth and ectropion on the eyes. Histopathology examination showed hyperkeratosis without perivascular infiltration lymphocyte. The baby was given breast feeding, antibiotic, hydrocortisone cream and olium olivarum. The prognosis of the baby is good.

Liquid-phase exfoliation of chemical vapor deposition-grown single layer graphene and its application in solution-processed transparent electrodes for flexible organic light-emitting devices

International Nuclear Information System (INIS)

Wu, Chaoxing; Li, Fushan; Wu, Wei; Chen, Wei; Guo, Tailiang

2014-01-01

Efficient and low-cost methods for obtaining high performance flexible transparent electrodes based on chemical vapor deposition (CVD)-grown graphene are highly desirable. In this work, the graphene grown on copper foil was exfoliated into micron-size sheets through controllable ultrasonication. We developed a clean technique by blending the exfoliated single layer graphene sheets with conducting polymer to form graphene-based composite solution, which can be spin-coated on flexible substrate, forming flexible transparent conducting film with high conductivity (∼8 Ω/□), high transmittance (∼81% at 550 nm), and excellent mechanical robustness. In addition, CVD-grown-graphene-based polymer light emitting diodes with excellent bendable performances were demonstrated

Hydrothermally synthesized PZT film grown in highly concentrated KOH solution with large electromechanical coupling coefficient for resonator

Science.gov (United States)

Feng, Guo-Hua; Lee, Kuan-Yi

2017-12-01

This paper presents a study of lead zirconate titanate (PZT) films hydrothermally grown on a dome-shaped titanium diaphragm. Few articles in the literature address the implementation of hydrothermal PZT films on curved-diaphragm substrates for resonators. In this study, a 50-μm-thick titanium sheet is embossed using balls of designed dimensions to shape a dome-shaped cavity array. Through single-process hydrothermal synthesis, PZT films are grown on both sides of the processed titanium diaphragm with good adhesion and uniformity. The hydrothermal synthesis process involves a high concentration of potassium hydroxide solution and excess amounts of lead acetate and zirconium oxychloride octahydrate. Varied deposition times and temperatures of PZT films are investigated. The grown films are characterized by X-ray diffraction and scanning electron microscopy. The 10-μm-thick PZT dome-shaped resonators with 60- and 20-μm-thick supporting layers are implemented and further tested. Results for both resonators indicate that large electromechanical coupling coefficients and a series resonance of 95 MHz from 14 MHz can be attained. The device is connected to a complementary metal-oxide-semiconductor integrated circuit for analysis of oscillator applications. The oscillator reaches a Q value of 6300 in air. The resonator exhibits a better sensing stability when loaded with water when compared with air.

Side Chain Engineering in Solution-Processable Conjugated Polymers

KAUST Repository

Mei, Jianguo; Bao, Zhenan

2014-01-01

Side chains in conjugated polymers have been primarily utilized as solubilizing groups. However, these side chains have roles that are far beyond. We advocate using side chain engineering to tune a polymer's physical properties, including absorption

Fourier method for modeling slanted lamellar gratings of arbitrary end-surface shapes in conical mounting.

Science.gov (United States)

Li, Lifeng

2015-10-01

An efficient modal method for numerically modeling slanted lamellar gratings of isotropic dielectric or metallic media in conical mounting is presented. No restrictions are imposed on the slant angle and the length of the lamellae. The end surface of the lamellae can be arbitrary, subject to certain restrictions. An oblique coordinate system that is adapted to the slanted lamella sidewalls allows the most efficient way of representing and manipulating the electromagnetic fields. A translational coordinate system that is based on the oblique Cartesian coordinate system adapts to the end-surface profile of the lamellae, so that the latter can be handled simply and easily. Moreover, two matrix eigenvalue problems of size 2N × 2N, one for each fundamental polarization of the electromagnetic fields in the periodic lamellar structure, where N is the matrix truncation number, are derived to replace the 4N × 4N eigenvalue problem that has been used in the literature. The core idea leading to this success is the polarization decomposition of the electromagnetic fields inside the periodic lamellar region when the fields are expressed in the oblique translational coordinate system.

Precipitation of lamellar gold nanocrystals in molten polymers

International Nuclear Information System (INIS)

Palomba, M.; Carotenuto, G.

2016-01-01

Non-aggregated lamellar gold crystals with regular shape (triangles, squares, pentagons, etc.) have been produced by thermal decomposition of gold chloride (AuCl) molecules in molten amorphous polymers (polystyrene and poly(methyl methacrylate)). Such covalent inorganic gold salt is high soluble into non-polar polymers and it thermally decomposes at temperatures compatible with the polymer thermal stability, producing gold atoms and chlorine radicals. At the end of the gold precipitation process, the polymer matrix resulted chemically modified because of the partial cross-linking process due to the gold atom formation reaction.

Heterogeneous nucleation promotes carrier transport in solution-processed organic field-effect transistors

KAUST Repository

Li, Ruipeng

2012-09-04

A new way to investigate and control the growth of solution-cast thin films is presented. The combination of in situ quartz crystal microbalance measurements with dissipation capabilities (QCM-D) and in situ grazing-incidence wide-angle X-ray scattering (GIWAXS) in an environmental chamber provides unique quantitative insights into the time-evolution of the concentration of the solution, the onset of nucleation, and the mode of growth of the organic semiconductor under varied drying conditions. It is demonstrated that careful control over the kinetics of solution drying enhances carrier transport significantly by promoting phase transformation predominantly via heterogeneous nucleation and sustained surface growth of a highly lamellar structure at the solid-liquid interface at the expense of homogeneous nucleation. A new way to investigate and control the growth of drop-cast thin films is presented. The solution-processing of small-molecule thin films of TIPS-pentacene is investigated using time-resolved techniques to reveal the mechanisms of nucleation and growth leading to solid film formation. By tuning the drying speed of the solution, the balance between surface and bulk growth modes is altered, thereby controlling the lamellar formation and tuning the carrier mobility in organic field-effect transistors Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Falling chains as variable-mass systems: theoretical model and experimental analysis

International Nuclear Information System (INIS)

De Sousa, Célia A; Costa, Pedro; Gordo, Paulo M

2012-01-01

In this paper, we revisit, theoretically and experimentally, the fall of a folded U-chain and of a pile-chain. The model calculation implies the division of the whole system into two subsystems of variable mass, allowing us to explore the role of tensional contact forces at the boundary of the subsystems. This justifies, for instance, that the folded U-chain falls faster than the acceleration due to the gravitational force. This result, which matches quite well with the experimental data independently of the type of chain, implies that the falling chain is well described by energy conservation. We verify that these conclusions are not observed for the pile-chain motion. (paper)

Self-organization and mismatch tolerance in protein folding: General theory and an application

Science.gov (United States)

Fernández, Ariel; Berry, R. Stephen

2000-03-01

The folding of a protein is a process both expeditious and robust. The analysis of this process presented here uses a coarse, discretized representation of the evolving form of the backbone chain, based on its torsional states. This coarse description consists of discretizing the torsional coordinates modulo the Ramachandran basins in the local softmode dynamics. Whenever the representation exhibits "contact patterns" that correspond to topological compatibilities with particular structural forms, secondary and then tertiary, the elements constituting the pattern are effectively entrained by a reduction of their rates of exploration of their discretized configuration space. The properties "expeditious and robust" imply that the folding protein must have some tolerance to both torsional "frustrated" and side-chain contact mismatches which may occur during the folding process. The energy-entropy consequences of the staircase or funnel topography of the potential surface should allow the folding protein to correct these mismatches, eventually. This tolerance lends itself to an iterative pattern-recognition-and-feedback description of the folding process that reflects mismatched local torsional states and hydrophobic/polar contacts. The predictive potential of our algorithm is tested by application to the folding of bovine pancreatic trypsin inhibitor (BPTI), a protein whose ability to form its active structure is contingent upon its frustration tolerance.

Excimer laser-assisted anterior lamellar keratoplasty for keratoconus, corneal problems after laser in situ keratomileusis, and corneal stromal opacities.

Science.gov (United States)

Bilgihan, Kamil; Ozdek, Sengül C; Sari, Ayça; Hasanreisoğlu, Berati

2006-08-01

To evaluate excimer laser-assisted anterior lamellar keratoplasty to augment thin corneas as in keratoconus ( .05). This technique presents a different modality for the treatment of keratoconus, post-LASIK corneal problems, and other corneal stromal opacities with anterior lamellar keratoplasty. Additional studies with more patients and longer follow-up will help determine the role of this technique as a substitute for penetrating keratoplasty in these patients.

Three-dimensional structure of human lamellar bone: the presence of two different materials and new insights into the hierarchical organization.

Science.gov (United States)

Reznikov, Natalie; Shahar, Ron; Weiner, Steve

2014-02-01

Lamellar bone is the most common bone type in humans. The predominant components of individual lamellae are plywood-like arrays of mineralized collagen fibrils aligned in different directions. Using a dual-beam electron microscope and the Serial Surface View (SSV) method we previously identified a small, but significantly different layer in rat lamellar bone, namely a disordered layer with collagen fibrils showing little or no preferred orientation. Here we present a 3D structural analysis of 12 SSV volumes (25 complete lamellae) from femora of 3 differently aged human individuals. We identify the ordered and disordered motifs in human bone as in the rat, with several significant differences. The ordered motif shows two major preferred orientations, perpendicular to the long axis of the bone, and aligned within 10-20° of the long axis, as well as fanning arrays. At a higher organizational level, arrays of ordered collagen fibrils are organized into 'rods' around 2 to 3μm in diameter, and the long axes of these 'rods' are parallel to the lamellar boundaries. Human bone also contains a disordered component that envelopes the rods and fills in the spaces between them. The disordered motif is especially well-defined between adjacent layers of rods. The disordered motif and its interfibrillar substance stain heavily with osmium tetroxide and Alcian blue indicating the presence of another organic component in addition to collagen. The canalicular network is confined to the disordered material, along with voids and individual collagen fibrils, some of which are also aligned more or less perpendicular to the lamellar boundaries. The organization of the ordered fibril arrays into rods enveloped in the continuous disordered structure was not observed in rat lamellar bone. We thus conclude that human lamellar bone is comprised of two distinct materials, an ordered material and a disordered material, and contains an additional hierarchical level of organization composed of

Magnetic Alignment of Block Copolymer Microdomains by Intrinsic Chain Anisotropy.

Science.gov (United States)

Rokhlenko, Yekaterina; Gopinadhan, Manesh; Osuji, Chinedum O; Zhang, Kai; O'Hern, Corey S; Larson, Steven R; Gopalan, Padma; Majewski, Paweł W; Yager, Kevin G

2015-12-18

We examine the role of intrinsic chain susceptibility anisotropy in magnetic field directed self-assembly of a block copolymer using in situ x-ray scattering. Alignment of a lamellar mesophase is observed on cooling across the disorder-order transition with the resulting orientational order inversely proportional to the cooling rate. We discuss the origin of the susceptibility anisotropy, Δχ, that drives alignment and calculate its magnitude using coarse-grained molecular dynamics to sample conformations of surface-tethered chains, finding Δχ≈2×10^{-8}. From field-dependent scattering data, we estimate that grains of ≈1.2  μm are present during alignment. These results demonstrate that intrinsic anisotropy is sufficient to support strong field-induced mesophase alignment and suggest a versatile strategy for field control of orientational order in block copolymers.

Oral manifestations of lamellar ichthyosis: A rare case report

Directory of Open Access Journals (Sweden)

Keerthi K Nair

2016-01-01

Full Text Available The ichthyoses are a heterogeneous group of disorders with both inherited and acquired forms. Autosomal recessive congenital ichthyosis (ARCI is a heterogeneous group of disorders that present at birth with the generalized involvement of skin without other systemic manifestations. Lamellar itchthyosis (LI is a nonsyndromic itchthyosis, which comes under the umbrella of ARCI. Little is only known about the oral manifestations of this disorder. We report a case of LI with oral manifestations.

A novel ethanol templating synthesis of ordered lamellar superstructured crystalline zirconia

International Nuclear Information System (INIS)

Liu Chao; Wang Bin; Ji Xiujie; Zhao Shanshan; Wu Jie; Jia Jianlong; Ma Dongxia

2012-01-01

Soft template technique has attracted great interest, because it is a facile, inexpensive and efficient synthesis strategy for ordered superstructural systems. Here, a novel ethanol template was used to synthesize the ordered lamellar superstructured crystalline zirconia (Lα-ZrO 2 ) without post-treatments and surfactants. ZrOCl 2 and NaOH were served as Zr source and precipitant, respectively. XRD analysis showed that Lα-ZrO 2 is crystalline. XPS spectra indicated the physical adsorption of ethanol molecules in Lα-ZrO 2 . TEM further observed and proved the 1.36-nm period of superstructure detected and calculated by SAXRD (1.35 nm), which is composed of 0.68-nm thick ZrO 2 and pore alternatively. In contrast, the template-free ZrO 2 (TF-ZrO 2 ) presents no superstructure and is poorly crystallized. As a soft template, ethanol presents the roles of (i) inducing the growth of zirconia layers, (ii) directing the self-assembly of ordered lamellar superstructure, and (iii) decreasing the crystallization temperature. The possible mechanism of ethanol serving as a soft template was proposed and discussed in thermodynamics.

Solution Grown Se/Te Nanowires: Nucleation, Evolution, and The Role of Triganol Te seeds

Directory of Open Access Journals (Sweden)

Shan Xudong

2009-01-01

Full Text Available Abstract We have studied the nucleation and growth of Se–Te nanowires (NWs, with different morphologies, grown by a chemical solution process. Through systematic characterization of the Se–Te NW morphology as a function of the Te nanocrystallines (NCs precursor, the relative ratio between Se and Te, and the growth time, a number of significant insights into Se–Te NW growth by chemical solution processes have been developed. Specifically, we have found that: (i the growth of Se–Te NWs can be initiated from either long or short triganol Te nanorods, (ii the frequency of proximal interactions between nanorod tips and the competition between Se and Te at the end of short Te nanorods results in V-shaped structures of Se–Te NWs, the ratio between Se and Te having great effect on the morphology of Se–Te NWs, (iii by using long Te nanorods as seeds, Se–Te NWs with straight morphology were obtained. Many of these findings on Se–Te NW growth can be further generalized and provide very useful information for the rational synthesis of group VI based semiconductor NW compounds.

CHAINS-PC, Decay Chain Atomic Densities

International Nuclear Information System (INIS)

1994-01-01

1 - Description of program or function: CHAINS computes the atom density of members of a single radioactive decay chain. The linearity of the Bateman equations allows tracing of interconnecting chains by manually accumulating results from separate calculations of single chains. Re-entrant loops can be treated as extensions of a single chain. Losses from the chain are also tallied. 2 - Method of solution: The Bateman equations are solved analytically using double-precision arithmetic. Poles are avoided by small alterations of the loss terms. Multigroup fluxes, cross sections, and self-shielding factors entered as input are used to compute the effective specific reaction rates. The atom densities are computed at any specified times. 3 - Restrictions on the complexity of the problem: Maxima of 100 energy groups, 100 time values, 50 members in a chain

Closed compact Taylor's droplets in a phase-separated lamellar-sponge mixture under shear flow

Science.gov (United States)

Courbin, L.; Cristobal, G.; Rouch, J.; Panizza, P.

2001-09-01

We have studied by optical microscopy, small-angle light scattering, and rheology, the behavior under shear flow of a phase-separated lamellar-sponge (Lα - L3) ternary mixture. We observe in the Lα-rich region (ΦLα > 80%) the existence of a Newtonian assembly made of closed compact monodisperse lamellar droplets immersed in the sponge phase. Contrary to the classical onion glassy texture obtained upon shearing Lα phases, the droplet size scales herein as dot gamma-1, the inverse of the shear rate. This result is in good agreement with Taylor's picture. Above a critical shear rate, dot gammac, the droplets organize to form a single colloidal crystal whose lattice size varies as dot gamma-1/3. To the memory of Tess Melissa P.

A Study of the Confinement Induced Sponge to Lamellar Phase Transformation by Direct Force Measurement

International Nuclear Information System (INIS)

Antelmi, David

1996-10-01

The interactions between two macroscopic walls immersed in an isotropic symmetric sponge phase (L_3) at different volume fractions, Φ, were studied with a surface force apparatus. The purpose of these experiments was to investigate the behaviour of the sponge phase when confined between two smooth rigid surfaces. Particular attention was given to investigating this behaviour as the bulk transition to the lamellar phase (L_α) was approached. At temperatures far from the L_3/L_α bulk transition temperature, the force-distance profile showed weak oscillations with a periodicity approximately equal to twice the characteristic length, ξ, measured for the sponge phase from small angle x-ray scattering. Furthermore, the oscillations were superimposed on an exponential attractive background that decayed with an order parameter correlation length of 2-3 times ξ The attractive background was explained by the enhancement of the sponge order in the vicinity of the rigid walls. The structural oscillations observed in the force-distance profile, although not completely understood, were discussed in terms of the packing of sponge cells (cell size ξ). The significance of the observed periodicity (2ξ) may indicate the importance of the symmetric nature of the sponge phase. By moving pairs of cells in response to an applied strain, the symmetry of the sponge structure is protected. As the temperature increased towards the L_3/L_α bulk transition temperature, an abrupt change in the force-distance profile was observed at a threshold separation labelled D*_i_n. A different force regime was observed for separations below D*_i_n which oscillated with a periodicity that was twice the reticular spacing, d, for a L_α phase of similar Φ. The force oscillations were superimposed on an attractive background that was almost linear. These observations were consistent with a first order phase transition from the sponge phase to the lamellar phase, induced by the confinement, where the

Coarsely resolved topography along protein folding pathways

Science.gov (United States)

Fernández, Ariel; Kostov, Konstantin S.; Berry, R. Stephen

2000-03-01

The kinetic data from the coarse representation of polypeptide torsional dynamics described in the preceding paper [Fernandez and Berry, J. Chem. Phys. 112, 5212 (2000), preceding paper] is inverted by using detailed balance to obtain a topographic description of the potential-energy surface (PES) along the dominant folding pathway of the bovine pancreatic trypsin inhibitor (BPTI). The topography is represented as a sequence of minima and effective saddle points. The dominant folding pathway displays an overall monotonic decrease in energy with a large number of staircaselike steps, a clear signature of a good structure-seeker. The diversity and availability of alternative folding pathways is analyzed in terms of the Shannon entropy σ(t) associated with the time-dependent probability distribution over the kinetic ensemble of contact patterns. Several stages in the folding process are evident. Initially misfolded states form and dismantle revealing no definite pattern in the topography and exhibiting high Shannon entropy. Passage down a sequence of staircase steps then leads to the formation of a nativelike intermediate, for which σ(t) is much lower and fairly constant. Finally, the structure of the intermediate is refined to produce the native state of BPTI. We also examine how different levels of tolerance to mismatches of side chain contacts influence the folding kinetics, the topography of the dominant folding pathway, and the Shannon entropy. This analysis yields upper and lower bounds of the frustration tolerance required for the expeditious and robust folding of BPTI.

Characterization of interference thin films grown on stainless steel surface by alternate pulse current in a sulphochromic solution

Directory of Open Access Journals (Sweden)

Rosa Maria Rabelo Junqueira

2008-12-01

Full Text Available The aim of this work was to characterize thin interference films grown on the surface of AISI 304 stainless steel for decorative purposes. Films were grown in a sulphochromic solution at room temperature by an alternating pulse current method. The morphology and chemical state of the elements in the films were investigated by field emission scanning electron microscopy (FESEM, atomic force microscopy (AFM, glow discharge optical emission spectrometry (GDOES, and infrared Fourier transform spectroscopy (FTIR. Depth-sensing indentation (DSI experiments and wear abrasion tests were employed to assess the mechanical resistance of the films. The coloration process resulted in porous thin films which increased the surface roughness of the substrate. The interference films mainly consisted of hydrated chromium oxide containing iron. Increasing film thickness produced different colors and affected the mechanical properties of the coating-substrate system. Thicker films, such as those producing gold and green colors, were softer but more abrasion resistant.

Fabrication and characterization of large size {sup 6}LiF/CaF{sub 2}:Eu eutectic composites with the ordered lamellar structure

Energy Technology Data Exchange (ETDEWEB)

Kawaguchi, Noriaki [Tokuyama Corporation, 3-3-1 Shibuya, Shibuya-ku, Tokyo 150-8383 (Japan); Fukuda, Kentaro, E-mail: ken-fukuda@tokuyama.co.jp [Tokuyama Corporation, 3-3-1 Shibuya, Shibuya-ku, Tokyo 150-8383 (Japan); Yanagida, Takayuki; Fujimoto, Yutaka; Yokota, Yuui [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Suyama, Toshihisa [Tokuyama Corporation, 3-3-1 Shibuya, Shibuya-ku, Tokyo 150-8383 (Japan); Watanabe, Kenichi; Yamazaki, Atsushi [Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Yoshikawa, Akira [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579 (Japan)

2011-10-01

As alternative candidates for the {sup 3}He neutron detectors, {sup 6}LiF/CaF{sub 2}:Eu eutectic composites were fabricated and their scintillation properties were evaluated. Large size LiF/CaF{sub 2}:Eu eutectic composites of 58 mm diameter and 50 mm thickness were produced by Bridgman method. The composites had a finely ordered lamellar structure along the solidification direction. The lamellar structure was controlled by the direction and the rate of solidification, and it was optimized to improve the scintillation properties. Better results were achieved when thinner lamellar layers were aligned along the scintillation light path.

Rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides: is solute rotation always influenced by the length of the alkyl chain on the imidazolium cation?

Science.gov (United States)

Gangamallaiah, V; Dutt, G B

2012-10-25

In an attempt to find out whether the length of the alkyl chain on the imidazolium cation has a bearing on solute rotation, temperature-dependent fluorescence anisotropies of three structurally similar solutes have been measured in a series of 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides. Solute-solvent coupling constants obtained from the experimentally measured reorientation times with the aid of Stokes-Einstein-Debye hydrodynamic theory indicate that there is no influence of the length of the alkyl chain on the rotation of nonpolar, anionic, and cationic solutes 9-phenylanthracene (9-PA), fluorescein (FL), and rhodamine 110 (R110), respectively. It has also been noticed that the rotational diffusion of 9-PA is closer to the predictions of slip hydrodynamics, whereas the rotation of negatively charged FL and positively charged R110 is almost identical and follows stick hydrodynamics in these ionic liquids. Despite having similar shape and size, ionic solutes rotate slower by a factor of 3-4 compared to the nonpolar solute. Interplay of specific and electrostatic interactions between FL and the imidazolium cation of the ionic liquids, and between R110 and the bis(trifluoromethylsulfonyl)imide anion, appear to be responsible for the observed behavior. These results are an indication that the length of the alkyl chain on the imidazolium cation does not alter their physical properties in a manner that has an effect on solute rotation.

Nonionic diethanolamide amphiphiles with isoprenoid-type hydrocarbon chains: thermotropic and lyotropic liquid crystalline phase behaviour

Energy Technology Data Exchange (ETDEWEB)

Sagnella, Sharon M.; Conn, Charlotte E.; Krodkiewska, Irena; Drummond, Calum J. (CSIRO/MSE)

2014-09-24

The thermotropic and lyotropic liquid crystalline phase behaviour of a series of diethanolamide amphiphiles with isoprenoid-type hydrocarbon chains (geranoyl, H-farnesoyl, and phytanoyl) has been investigated. When neat, both H-farnesoyl and phytanoyl diethanolamide form a smectic liquid crystalline structure at sub-zero temperatures. In addition, all three diethanolamides exhibit a glass transition temperature at around -73 C. Geranoyl diethanolamide forms a lamellar crystalline phase with a lattice parameter of 17.4 {angstrom} following long term storage accompanied by the loss of the glass transition. In the presence of water, H-farnesoyl and phytanoyl diethanolamide form lyotropic liquid crystalline phases, whilst geranoyl diethanolamide forms an L{sub 2} phase. H-farnesoyl diethanolamide forms a fluid lamellar phase (L{sub {alpha}}) at room temperature and up to {approx} 40 C. Phytanoyl diethanolamide displays a rich mesomorphism forming the inverse diamond (Q{sub II}{sup D}) and gyroid (Q{sub II}{sup G}) bicontinuous cubic phases in addition to an L{sub {alpha}} phase.

The structure of a lipid-water lamellar phase containing two types of lipid monolayers

International Nuclear Information System (INIS)

Ranck, J.L.; Luzzati, V.; Zaccai, G.

1980-01-01

One lamellar phase, observed in the mitochondrial lipids-water system at low temperature (ca 253 K) and at low water content (ca 15%), contains four lipid monolayers in its unit cell, two of type α and two of type β. Previous X-ray scattering studies of this phase led to an ambiguity: the phase could contain either two homogeneous bilayers, one α and one β, or two mixed bilayers, each formed by an α and a β monolayer. A solution to this problem was sought in a neutron scattering study as a function of the D 2 O/H 2 O ratio. Because of limited resolution, straightforward analysis of the neutron scattering data leads also to ambiguous results. Using a more sophisticated analysis based upon the zeroth- and second-order moments of the Patterson peaks relevant to the exchangeable components, it is shown that the weight of the evidence is in favour of a structure containing mixed bilayers. (Auth.)

Comparison of synthetic glues and 10-0 nylon in rabbit lamellar keratoplasty.

Science.gov (United States)

Cho, Soon Young; Kim, Man Soo; Oh, Su Ja; Chung, Sung Kun

2013-09-01

To evaluate changes in mean keratometry and to compare wound repair with corneal lamellar grafts in rabbit eyes using human synthetic tissue adhesives and 10-0 nylon. Corneal grafts were made using a 6.0-mm-diameter trephine and blades in the eyes of 15 New Zealand white rabbits. Human fibrin tissue adhesive (Tisseel) was used in group 1, human fibrin tissue adhesive (Beriplast P) was used in group 2, polyethylene glycol adhesive (Coseal) was used in group 3, and 8 bite sutures with 10-0 nylon were used in group 4 (control) for lamellar keratoplasty. Four bite sutures were made with 10-0 nylon in groups 1, 2, and 3. Slit-lamp microscopy and keratometry were performed at 3 days and 1, 2, and 4 weeks after the surgery. Histopathologic and electromicroscopic examinations were performed 4 weeks after the surgery. No inflammation or corneal toxicity was seen in groups 1 and 2. Histologically, a few inflammatory cells were seen in groups 3 and 4. Groups 1, 2, and 3 showed no statistically significant changes in mean keratometry at 4 weeks postoperatively compared with preoperative mean keratometry (Wilcoxon signed-rank test, P = 0.178, 0.208, and 0.889, respectively). The control group showed significant changes in mean keratometry at 4 weeks postoperatively (Wilcoxon signed-rank test, P = 0.018). Human fibrin tissue adhesives were well tolerated in rabbit eyes, with no apparent corneal toxicity. Polyethylene glycol adhesive showed more inflammation and insufficient wound repair compared with human fibrin tissue adhesives. Therefore, human fibrin tissue adhesives can be used as an alternative to sutures in lamellar keratoplasty.

Physiological indexese macro- and micronutrients in plant tissue and essential oil of Mentha piperita L. grown in nutrient solution with variation in N, P, K and Mg levels

Directory of Open Access Journals (Sweden)

E.F.S. David

2014-03-01

Full Text Available Mentha piperita L. is an aromatic and medicinal species of the family Lamiaceae, known as mint or peppermint, and its leaves and branches produce essential oil rich in menthol. This study aimed to evaluate physiological indexes, macro- and micronutrients inthe shootsand essential oil of Mentha piperita L. grown in nutrient solution number 2 of Hoagland and Arnon (1950 with different N, P, K and Mg levels. Shoot length, dry mass of the different organs, total dry mass, leaf area, essential oil yield and composition, and macronutrient (N, P, K, Mg, Ca, S and micronutrient (Mn, Cu, Fe, Zn contents in the shoot were evaluated. Plants treated with 65%N/50%P/25%K/100%Mg had a tendency towards longer shoot, greaterroot and leaf blade dry masses, higher essential oil yield, higher menthol levels and lower menthone levels. The results showed that Mentha can be grown in nutrient solution by reducing 65% N, 50% P, 25% K and 100% Mg. This solution had better development compared to the other tested treatments. Therefore,we recommendMentha piperita L. to be grown with such nutrient levels.

Nucleation of the lamellar decomposition in a Ti-44Al-4Nb-4Zr alloy

Energy Technology Data Exchange (ETDEWEB)

Zhang, L.C.; Cheng, T.T.; Aindow, M

2004-01-05

The onset of the lamellar decomposition ({alpha}{yields}{alpha}{sub 2}+{gamma}) in a titanium aluminide alloy containing Nb and Zr has been studied by transmission electron microscopy. Samples water-quenched from the solution-treatment temperature of 1350 deg. C show fault-like features resembling those reported previously as the precursors for the formation of the {gamma} lamellae. High-resolution lattice images obtained from such features have revealed that the 'faults' are actually embryonic {gamma} lamellae, just a few atomic layers in thickness, which clearly exhibit the ordered L1{sub 0} structure. This implies that the {gamma} phase is formed directly, rather than via some intermediate disordered face-centred-cubic phase as suggested previously. Moreover, the character and configuration of the interfacial defects is consistent with this occurring in a diffusive-displacive manner with short-range fluxes across the risers of mobile perfect interfacial disconnections.

Nucleation of the lamellar decomposition in a Ti-44Al-4Nb-4Zr alloy

International Nuclear Information System (INIS)

Zhang, L.C.; Cheng, T.T.; Aindow, M.

2004-01-01

The onset of the lamellar decomposition (α→α 2 +γ) in a titanium aluminide alloy containing Nb and Zr has been studied by transmission electron microscopy. Samples water-quenched from the solution-treatment temperature of 1350 deg. C show fault-like features resembling those reported previously as the precursors for the formation of the γ lamellae. High-resolution lattice images obtained from such features have revealed that the 'faults' are actually embryonic γ lamellae, just a few atomic layers in thickness, which clearly exhibit the ordered L1 0 structure. This implies that the γ phase is formed directly, rather than via some intermediate disordered face-centred-cubic phase as suggested previously. Moreover, the character and configuration of the interfacial defects is consistent with this occurring in a diffusive-displacive manner with short-range fluxes across the risers of mobile perfect interfacial disconnections

Ultrafast hydrogen exchange reveals specific structural events during the initial stages of folding of cytochrome c.

Science.gov (United States)

Fazelinia, Hossein; Xu, Ming; Cheng, Hong; Roder, Heinrich

2014-01-15

Many proteins undergo a sharp decrease in chain dimensions during early stages of folding, prior to the rate-limiting step in folding. However, it remains unclear whether compact states are the result of specific folding events or a general hydrophobic collapse of the poly peptide chain driven by the change in solvent conditions. To address this fundamental question, we extended the temporal resolution of NMR-detected H/D exchange labeling experiments into the microsecond regime by adopting a microfluidics approach. By observing the competition between H/D exchange and folding as a function of labeling pH, coupled with direct measurement of exchange rates in the unfolded state, we were able to monitor hydrogen-bond formation for over 50 individual backbone NH groups within the initial 140 microseconds of folding of horse cytochrome c. Clusters of solvent-shielded amide protons were observed in two α-helical segments in the C-terminal half of the protein, while the N-terminal helix remained largely unstructured, suggesting that proximity in the primary structure is a major factor in promoting helix formation and association at early stages of folding, while the entropically more costly long-range contacts between the N- and C-terminal helices are established only during later stages. Our findings clearly indicate that the initial chain condensation in cytochrome c is driven by specific interactions among a subset of α-helical segments rather than a general hydrophobic collapse.

Entanglement of conjugated polymer chains influences molecular self-assembly and carrier transport

KAUST Repository

Zhao, Kui; Khan, Hadayat Ullah; Li, Ruipeng; Su, Yisong; Amassian, Aram

2013-01-01

The influence of polymer entanglement on the self-assembly, molecular packing structure, and microstructure of low-Mw (lightly entangled) and high-Mw (highly entangled) poly (3-hexylthiophene) (P3HT), and the carrier transport in thin-film transistors, are investigated. The polymer chains are gradually disentangled in a marginal solvent via ultrasonication of the polymer solution, and demonstrate improved diffusivity of precursor species (coils, aggregates, and microcrystallites), enhanced nucleation and crystallization of P3HT in solution, and self-assembly of well-ordered and highly textured fibrils at the solid-liquid interface. In low-Mw P3HT, reducing chain entanglement enhances interchain and intrachain ordering, but reduces the interconnectivity of ordered domains (tie molecules) due to the presence of short chains, thus deteriorating carrier transport even in the face of improving crystallinity. Reducing chain entanglement in high-Mw P3HT solutions increases carrier mobility up to ≈20-fold, by enhancing interchain and intrachain ordering while maintaining a sufficiently large number of tie molecules between ordered domains. These results indicate that charge carrier mobility is strongly governed by the balancing of intrachain and interchain ordering, on the one hand, and interconnectivity of ordered domains, on the other hand. In high-Mw P3HT, intrachain and interchain ordering appear to be the key bottlenecks to charge transport, whereas in low-Mw P3HT, the limited interconnectivity of the ordered domains acts as the primary bottleneck to charge transport. Conjugated polymer chains of poly(3-hexylthiophene) (P3HT) are gradually disentangled in solution and trends in carrier transport mechanisms in organic thin film transistors for low- and high-molecular weight P3HT are investigated. While intrachain and interchain ordering within ordered domains are the key bottlenecks to charge transport in high-Mw P3HT films, the limited interconnectivity of ordered

Entanglement of conjugated polymer chains influences molecular self-assembly and carrier transport

KAUST Repository

Zhao, Kui

2013-06-26

The influence of polymer entanglement on the self-assembly, molecular packing structure, and microstructure of low-Mw (lightly entangled) and high-Mw (highly entangled) poly (3-hexylthiophene) (P3HT), and the carrier transport in thin-film transistors, are investigated. The polymer chains are gradually disentangled in a marginal solvent via ultrasonication of the polymer solution, and demonstrate improved diffusivity of precursor species (coils, aggregates, and microcrystallites), enhanced nucleation and crystallization of P3HT in solution, and self-assembly of well-ordered and highly textured fibrils at the solid-liquid interface. In low-Mw P3HT, reducing chain entanglement enhances interchain and intrachain ordering, but reduces the interconnectivity of ordered domains (tie molecules) due to the presence of short chains, thus deteriorating carrier transport even in the face of improving crystallinity. Reducing chain entanglement in high-Mw P3HT solutions increases carrier mobility up to ≈20-fold, by enhancing interchain and intrachain ordering while maintaining a sufficiently large number of tie molecules between ordered domains. These results indicate that charge carrier mobility is strongly governed by the balancing of intrachain and interchain ordering, on the one hand, and interconnectivity of ordered domains, on the other hand. In high-Mw P3HT, intrachain and interchain ordering appear to be the key bottlenecks to charge transport, whereas in low-Mw P3HT, the limited interconnectivity of the ordered domains acts as the primary bottleneck to charge transport. Conjugated polymer chains of poly(3-hexylthiophene) (P3HT) are gradually disentangled in solution and trends in carrier transport mechanisms in organic thin film transistors for low- and high-molecular weight P3HT are investigated. While intrachain and interchain ordering within ordered domains are the key bottlenecks to charge transport in high-Mw P3HT films, the limited interconnectivity of ordered

Photoluminescence and lasing properties of MAPbBr3 single crystals grown from solution

Science.gov (United States)

Aryal, Sandip; Lafalce, Evan; Zhang, Chuang; Zhai, Yaxin; Vardeny, Z. Valy

Recent studies of solution-grown single crystals of inorganic-organic hybrid lead-trihalide perovskites have suggested that surface traps may play a significant role in their photophysics. We study electron-hole recombination in single crystal MAPbBr3 through such trap states using cw photoluminescence (PL) and ps transient photoinduced absorption (PA) spectroscopies. By varying the depth of the collecting optics we examined the contributions from surface and bulk radiative recombination. We found a surface dominated PL band at the band-edge that is similar to that observed from polycrystalline thin films, as well as a weaker red-shifted emission band that originates from the bulk crystal. The two PL bands are distinguished in their temperature, excitation intensity and polarization dependencies, as well as their ps dynamics. Additionally, amplified spontaneous emission and crystal-related cavity lasing modes were observed in the same spectral range as the PL band assigned to the surface recombination. This work was funded by AFOSR through MURI Grant RA 9550-14-1-0037.

STRONG ORACLE OPTIMALITY OF FOLDED CONCAVE PENALIZED ESTIMATION.

Science.gov (United States)

Fan, Jianqing; Xue, Lingzhou; Zou, Hui

2014-06-01

Folded concave penalization methods have been shown to enjoy the strong oracle property for high-dimensional sparse estimation. However, a folded concave penalization problem usually has multiple local solutions and the oracle property is established only for one of the unknown local solutions. A challenging fundamental issue still remains that it is not clear whether the local optimum computed by a given optimization algorithm possesses those nice theoretical properties. To close this important theoretical gap in over a decade, we provide a unified theory to show explicitly how to obtain the oracle solution via the local linear approximation algorithm. For a folded concave penalized estimation problem, we show that as long as the problem is localizable and the oracle estimator is well behaved, we can obtain the oracle estimator by using the one-step local linear approximation. In addition, once the oracle estimator is obtained, the local linear approximation algorithm converges, namely it produces the same estimator in the next iteration. The general theory is demonstrated by using four classical sparse estimation problems, i.e., sparse linear regression, sparse logistic regression, sparse precision matrix estimation and sparse quantile regression.

Studies on microphase-separated structures of block copolymers by neutron reflectivity measurement

International Nuclear Information System (INIS)

Torikai, Naoya; Noda, Ichiro; Matsushita, Yushu; Karim, A.; Satija, S.K.; Han, C.C.; Ebisawa, Toru.

1996-01-01

Segmental distributions of block copolymer chains in lamellar microphase-separated structure and those of homopolymers in block copolymer/homopolymer blends also with lamellar structures were studied by neutron reflectivity measurements. It was revealed that polystyrene and poly(2-vinylpyridine) lamellae were alternately stacked within the thin films of pure block copolymers spin-coated on silicon wafers, and they were preferentially oriented along the direction parallel to film surface. Polystyrene lamella appeared at air surfaces of the films, while poly(2-vinylpyridine) lamella did on silicon surfaces. Segment distribution at lamellar interface was well described by an error function, and the width of the lamellar interface, defined by a full-width half-maximum value of interfacial profile, was estimated to be about 4.5 nm. Segments of block chains adjacent to the chemical junction points connecting different block chains were strongly localized near the lamellar interfaces, while those on the free ends of block chains were distributed all over the lamellar microdomains with their distribution maxima at the centers of lamellae. On the other hand, it was clarified that homopolymers dissolved in the corresponding lamellar microdomains of block copolymers were also distributed throughout the microdomains with their concentration maxima at the centers of the lamellae. (author)

Uplift rates of marine terraces as a constraint on fault-propagation fold kinematics: Examples from the Hawkswood and Kate anticlines, North Canterbury, New Zealand

Science.gov (United States)

Oakley, David O. S.; Fisher, Donald M.; Gardner, Thomas W.; Stewart, Mary Kate

2018-01-01

Marine terraces on growing fault-propagation folds provide valuable insight into the relationship between fold kinematics and uplift rates, providing a means to distinguish among otherwise non-unique kinematic model solutions. Here, we investigate this relationship at two locations in North Canterbury, New Zealand: the Kate anticline and Haumuri Bluff, at the northern end of the Hawkswood anticline. At both locations, we calculate uplift rates of previously dated marine terraces, using DGPS surveys to estimate terrace inner edge elevations. We then use Markov chain Monte Carlo methods to fit fault-propagation fold kinematic models to structural geologic data, and we incorporate marine terrace uplift into the models as an additional constraint. At Haumuri Bluff, we find that marine terraces, when restored to originally horizontal surfaces, can help to eliminate certain trishear models that would fit the geologic data alone. At Kate anticline, we compare uplift rates at different structural positions and find that the spatial pattern of uplift rates is more consistent with trishear than with a parallel-fault propagation fold kink-band model. Finally, we use our model results to compute new estimates for fault slip rates ( 1-2 m/ka at Kate anticline and 1-4 m/ka at Haumuri Bluff) and ages of the folds ( 1 Ma), which are consistent with previous estimates for the onset of folding in this region. These results are consistent with previous work on the age of onset of folding in this region, provide revised estimates of fault slip rates necessary to understand the seismic hazard posed by these faults, and demonstrate the value of incorporating marine terraces in inverse fold kinematic models as a means to distinguish among non-unique solutions.

Protein folding and wring resonances

DEFF Research Database (Denmark)

Bohr, Jakob; Bohr, Henrik; Brunak, Søren

1997-01-01

The polypeptide chain of a protein is shown to obey topological contraints which enable long range excitations in the form of wring modes of the protein backbone. Wring modes of proteins of specific lengths can therefore resonate with molecular modes present in the cell. It is suggested that prot......The polypeptide chain of a protein is shown to obey topological contraints which enable long range excitations in the form of wring modes of the protein backbone. Wring modes of proteins of specific lengths can therefore resonate with molecular modes present in the cell. It is suggested...... that protein folding takes place when the amplitude of a wring excitation becomes so large that it is energetically favorable to bend the protein backbone. The condition under which such structural transformations can occur is found, and it is shown that both cold and hot denaturation (the unfolding...

A novel ethanol templating synthesis of ordered lamellar superstructured crystalline zirconia

Energy Technology Data Exchange (ETDEWEB)

Liu Chao, E-mail: liuchao_tj@yahoo.com; Wang Bin [Key Laboratory for New Type of Functional Materials in Hebei Province, Hebei University of Technology (China); Ji Xiujie, E-mail: jxjchem@yahoo.com [State Key Laboratory of Hollow Fiber Membrane Materials and Processes, Tianjin Polytechnic University (China); Zhao Shanshan; Wu Jie; Jia Jianlong; Ma Dongxia [Key Laboratory for New Type of Functional Materials in Hebei Province, Hebei University of Technology (China)

2012-03-15

Soft template technique has attracted great interest, because it is a facile, inexpensive and efficient synthesis strategy for ordered superstructural systems. Here, a novel ethanol template was used to synthesize the ordered lamellar superstructured crystalline zirconia (L{alpha}-ZrO{sub 2}) without post-treatments and surfactants. ZrOCl{sub 2} and NaOH were served as Zr source and precipitant, respectively. XRD analysis showed that L{alpha}-ZrO{sub 2} is crystalline. XPS spectra indicated the physical adsorption of ethanol molecules in L{alpha}-ZrO{sub 2}. TEM further observed and proved the 1.36-nm period of superstructure detected and calculated by SAXRD (1.35 nm), which is composed of 0.68-nm thick ZrO{sub 2} and pore alternatively. In contrast, the template-free ZrO{sub 2} (TF-ZrO{sub 2}) presents no superstructure and is poorly crystallized. As a soft template, ethanol presents the roles of (i) inducing the growth of zirconia layers, (ii) directing the self-assembly of ordered lamellar superstructure, and (iii) decreasing the crystallization temperature. The possible mechanism of ethanol serving as a soft template was proposed and discussed in thermodynamics.

Effect of hydrocarbon chain length of aliphatic diluents on hydrodynamic properties of irradiated solutions of extractant

International Nuclear Information System (INIS)

Gumenyuk, V.E.; Pribush, A.G.; Egorov, G.F.

1990-01-01

To optimize the composition of n-paraffin mixtures with different molecular weight, used as a diluent (D) of extractant during extraction reprocessing of spent fuel, interrelation between D hydrocarbon chain length and change in hydrodynamic properties of extraction mixture on D basis depending on the dose has been considered. It is shown that the value of threshold dose loading (D crit ), at which a sharp change in hydrodynamic properties of tri-n-butyl phosphate solutions in D is observed, decreases with hydrocarbon chain length growth. Empiric ratio relating D crit value and the number of carbon atoms of D is obtained

Theory of X-ray scattering by strongly distorted aging alloys with lamellar distribution of inclusions

International Nuclear Information System (INIS)

Barabash, R.I.; Krivoglaz, M.A.; AN Ukrainskoj SSR, Kiev. Inst. Metallofiziki)

1981-01-01

The X-ray scattering by strongly distorted heterogeneous alloys containing inclusions of new phase particles is discussed. Two models describing the lamellar structure with various orientation of inclusion axes in different layers are studied. In the first model the dimensions of inclusions are small in comparison with the layer thickness and they are randomly distributed in it, in the second model lamellar inclusions stretch through the whole layer. It is shown that in both models the Debye broadened line intensity distribution consists of overlapping Lorentz curves. A case of inclusions oriented along directions [100] and layers perpendicular to axes [110] is analyzed in detail. The results obtained for this case are compared with experimental results for the Cu-Be alloy

Birefringence Optical Feedback with a Folded Cavity in HeNe Laser

International Nuclear Information System (INIS)

Wu Yun; Tan Yi-Dong

2013-01-01

The birefringence optical feedback with a folded cavity in HeNe laser is investigated. A theory model based on the equivalent cavity of the Fabry—Perot interferometer is presented. The phase difference between the two intensities in birefringence feedback is twice the retardation of the wave plate. The phase difference is invariable when the length of the feedback cavity changes. With the adoption of a cube corner prism (CCP) to form a folded cavity, the fringe frequency is doubled, and the resolution of the displacement sensor based on birefringence optical feedback with a folded cavity is improved. A resistance chain of 5-fold subdivision and 4-fold logic subdivision is used as further subdivision. The resolution of λ/80 is obtained eventually; for 632.8 nm HeNe laser it is 7.91 nm. The displacement sensor based on birefringence optical feedback with a folded cavity is simple and of high resolution, large measurement range, low cost, and is of great application potential in industry

Partial molar volumes of proteins: amino acid side-chain contributions derived from the partial molar volumes of some tripeptides over the temperature range 10-90 degrees C.

Science.gov (United States)

Häckel, M; Hinz, H J; Hedwig, G R

1999-11-15

The partial molar volumes of tripeptides of sequence glycyl-X-glycine, where X is one of the amino acids alanine, leucine, threonine, glutamine, phenylalanine, histidine, cysteine, proline, glutamic acid, and arginine, have been determined in aqueous solution over the temperature range 10-90 degrees C using differential scanning densitometry . These data, together with those reported previously, have been used to derive the partial molar volumes of the side-chains of all 20 amino acids. The side-chain volumes are critically compared with literature values derived using partial molar volumes for alternative model compounds. The new amino acid side-chain volumes, along with that for the backbone glycyl group, were used to calculate the partial specific volumes of several proteins in aqueous solution. The results obtained are compared with those observed experimentally. The new side-chain volumes have also been used to re-determine residue volume changes upon protein folding.

Photoluminescence of Hexagonal ZnO Nanorods Hydrothermally Grown on Zn Foils in KOH Solutions with Different Values of Basicity

Directory of Open Access Journals (Sweden)

Nuengruethai Ekthammathat

2013-01-01

Full Text Available Aligned hexagonal ZnO nanorods on pure Zn foils were hydrothermally synthesized in 30 mL solutions containing 0.05–0.50 g KOH. The products were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, transmission electron microscopy (TEM, and photoluminescence (PL spectroscopy. In this research, wurtzite hexagonal ZnO nanorods grown along the [002] direction with green light emission at 541 nm caused by singly ionized oxygen vacancies inside were detected.

Exact solutions to the supply chain equations for arbitrary, time-dependent demands

DEFF Research Database (Denmark)

Warburton, Roger D.H.; Hodgson, J.P.E.; Nielsen, Erland Hejn

2014-01-01

, so users can determine the inventory behavior to any desired precision. To illustrate, we solve the equations for a non-linear, quadratic time-dependence in the demand. For practical use, only a few terms in the series are required, a proposition illustrated by the For All Practical Purposes (FAPP......We study the impact on inventory of an unexpected, non-linear, time-dependent demand and present the exact solutions over time to the supply chain equations without requiring any approximations. We begin by imposing a boundary condition of stability at infinity, from which we derive expressions...... for the estimated demand and the target work in progress when the demand is time-dependent. The resulting inventory equation is solved in terms of the Lambert modes with all of the demand non-linearities confined to the pre-shape function. The series solution is exact, and all terms are reasonably easy to calculate...

Analytic hierarchy process-based approach for selecting a Pareto-optimal solution of a multi-objective, multi-site supply-chain planning problem

Science.gov (United States)

Ayadi, Omar; Felfel, Houssem; Masmoudi, Faouzi

2017-07-01

The current manufacturing environment has changed from traditional single-plant to multi-site supply chain where multiple plants are serving customer demands. In this article, a tactical multi-objective, multi-period, multi-product, multi-site supply-chain planning problem is proposed. A corresponding optimization model aiming to simultaneously minimize the total cost, maximize product quality and maximize the customer satisfaction demand level is developed. The proposed solution approach yields to a front of Pareto-optimal solutions that represents the trade-offs among the different objectives. Subsequently, the analytic hierarchy process method is applied to select the best Pareto-optimal solution according to the preferences of the decision maker. The robustness of the solutions and the proposed approach are discussed based on a sensitivity analysis and an application to a real case from the textile and apparel industry.

Hierarchical transport of nanoparticles in a lyotropic lamellar phase

International Nuclear Information System (INIS)

Kimura, Yasuyuki; Mori, Teppei; Yamamoto, Akira; Mizuno, Daisuke

2005-01-01

The dynamics of nanosized colloidal particles dispersed in a hyper-swollen lyotropic lamellar phase of a nonionic surfactant has been studied by ac electrophoretic light scattering and direct tracking of particles under a microscope. The frequency spectrum of electrophoretic mobility shows two relaxation processes. These are originated from the hindrance of free diffusion of particles by the interaction between membranes and particles. By direct tracking measurement, we find that particles jump from site to site where they stay for a long time. This trap-jump process greatly decreases the mobility at low frequencies

The Efficacy of Fibroblast Growth Factor for the Treatment of Chronic Vocal Fold Scarring: From Animal Model to Clinical Application.

Science.gov (United States)

Ban, Myung Jin; Park, Jae Hong; Kim, Jae Wook; Park, Ki Nam; Lee, Jae Yong; Kim, Hee Kyung; Lee, Seung Won

2017-12-01

This study assessed the regenerative efficacy of basic fibroblast growth factor (FGF) in a rabbit model of chronic vocal fold scarring and then confirmed its utility and safety in a prospective trial of patients with this condition. FGF was injected three times, at 1-week intervals, into a chronic vocal fold scar created in a rabbit model. After 1 month, mRNA level of procollagen I, hyaluronic acid synthetase 2 (HAS 2), and matrix metalloproteinase 2 (MMP 2) were analyzed by real-time polymerase chain reaction. The relative densities of hyaluronic acid (HA) and collagen were examined 3 months post-injection. From April 2012 to September 2014, a prospective clinical trial was conducted at a tertiary hospital in Korea. FGF was injected into the mild vocal fold scar of 17 consecutive patients with a small glottic gap. The patients underwent perceptual, stroboscopic, acoustic aerodynamic test, and Voice Handicap Index (VHI) survey prior to and 3, 6, and 12 months after FGF injection. FGF injection of the vocal fold scar decreased the density of collagen and increased mRNA level of HAS 2 and MMP 2 expression significantly compared to the control group injected with phosphate buffered solution in a rabbit model (Pvocal fold injections of FGF in patients with mild chronic vocal fold scarring can significantly improve voice quality for as long as 1 year and without side effects. Our results recommend the use of FGF vocal fold injection as an alternative treatment modality for mild chronic vocal fold scarring.

Multiscale Simulations of Lamellar PS–PEO Block Copolymers Doped with LiPF6 Ions

KAUST Repository

Sethuraman, Vaidyanathan; Mogurampelly, Santosh; Ganesan, Venkat

2017-01-01

We report the results of atomistic simulations of the structural equilibrium properties of PS–PEO block copolymer (BCP) melt in the ordered lamellar phase doped with LiPF6 salt. A hybrid simulation strategy, consisting of steps of coarse

Putting a Smiley Face on the Dragon: Wal-Mart as Catalyst to U.S.-China Trade

OpenAIRE

Emek Basker; Pham Hoang Van

2005-01-01

Retail chains and imports from developing countries have grown sharply over the past 25 years. Wal-Marts chain, which currently accounts for 10% of U.S. imports from China, grew 10-fold and its sales 90-fold over this period, while U.S. imports from China increased 30-fold. We relate these trends using a model in which scale economies in retail interact with scale economies in the import process. Combined, these scale economies amplify the effects of technological change and trade liberalizat...

Folding and insertion thermodynamics of the transmembrane WALP peptide

International Nuclear Information System (INIS)

Bereau, Tristan; Bennett, W. F. Drew; Pfaendtner, Jim; Deserno, Markus; Karttunen, Mikko

2015-01-01

The anchor of most integral membrane proteins consists of one or several helices spanning the lipid bilayer. The WALP peptide, GWW(LA) n (L)WWA, is a common model helix to study the fundamentals of protein insertion and folding, as well as helix-helix association in the membrane. Its structural properties have been illuminated in a large number of experimental and simulation studies. In this combined coarse-grained and atomistic simulation study, we probe the thermodynamics of a single WALP peptide, focusing on both the insertion across the water-membrane interface, as well as folding in both water and a membrane. The potential of mean force characterizing the peptide’s insertion into the membrane shows qualitatively similar behavior across peptides and three force fields. However, the Martini force field exhibits a pronounced secondary minimum for an adsorbed interfacial state, which may even become the global minimum—in contrast to both atomistic simulations and the alternative PLUM force field. Even though the two coarse-grained models reproduce the free energy of insertion of individual amino acids side chains, they both underestimate its corresponding value for the full peptide (as compared with atomistic simulations), hinting at cooperative physics beyond the residue level. Folding of WALP in the two environments indicates the helix as the most stable structure, though with different relative stabilities and chain-length dependence

Folding and insertion thermodynamics of the transmembrane WALP peptide

Energy Technology Data Exchange (ETDEWEB)

Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de [Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Bennett, W. F. Drew [Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Pfaendtner, Jim [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195 (United States); Deserno, Markus [Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States); Karttunen, Mikko [Department of Mathematics and Computer Science & Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, MetaForum, 5600 MB Eindhoven (Netherlands)

2015-12-28

The anchor of most integral membrane proteins consists of one or several helices spanning the lipid bilayer. The WALP peptide, GWW(LA){sub n} (L)WWA, is a common model helix to study the fundamentals of protein insertion and folding, as well as helix-helix association in the membrane. Its structural properties have been illuminated in a large number of experimental and simulation studies. In this combined coarse-grained and atomistic simulation study, we probe the thermodynamics of a single WALP peptide, focusing on both the insertion across the water-membrane interface, as well as folding in both water and a membrane. The potential of mean force characterizing the peptide’s insertion into the membrane shows qualitatively similar behavior across peptides and three force fields. However, the Martini force field exhibits a pronounced secondary minimum for an adsorbed interfacial state, which may even become the global minimum—in contrast to both atomistic simulations and the alternative PLUM force field. Even though the two coarse-grained models reproduce the free energy of insertion of individual amino acids side chains, they both underestimate its corresponding value for the full peptide (as compared with atomistic simulations), hinting at cooperative physics beyond the residue level. Folding of WALP in the two environments indicates the helix as the most stable structure, though with different relative stabilities and chain-length dependence.

N-fold Darboux Transformation for Integrable Couplings of AKNS Equations

Science.gov (United States)

Yu, Jing; Chen, Shou-Ting; Han, Jing-Wei; Ma, Wen-Xiu

2018-04-01

For the integrable couplings of Ablowitz-Kaup-Newell-Segur (ICAKNS) equations, N-fold Darboux transformation (DT) TN, which is a 4 × 4 matrix, is constructed in this paper. Each element of this matrix is expressed by a ratio of the (4N + 1)-order determinant and 4N-order determinant of eigenfunctions. By making use of these formulae, the determinant expressions of N-transformed new solutions p [N], q [N], r [N] and s [N] are generated by this N-fold DT. Furthermore, when the reduced conditions q = ‑p* and s = ‑r* are chosen, we obtain determinant representations of N-fold DT and N-transformed solutions for the integrable couplings of nonlinear Schrödinger (ICNLS) equations. Starting from the zero seed solutions, one-soliton solutions are explicitly given as an example. Supported by the National Natural Science Foundation of China under Grant Nos. 61771174, 11371326, 11371361, 11301454, and 11271168, Natural Science Fund for Colleges and Universities of Jiangsu Province of China under Grant No. 17KJB110020, and General Research Project of Department of Education of Zhejiang Province (Y201636538)

A Decision Support System (DSS) to Select the Premier Fuel to Develop in the Value Chain of Natural Gas

OpenAIRE

Ahmad Mousaei; Mohammad Ali Hatefi

2015-01-01

A value chain is a series of events that takes a raw material and with each step adds value to it. Global interest in the application of natural gas (NG) in production and transportation has grown dramatically, representing a long-term, low-cost, domestic, and secure alternative to petroleum-based fuels. Many technological solutions are currently considered on the market or in development, which address the challenge and opportunity of NG. In this paper, a decision support system (DSS) is int...

Intense luminescence emission from rare-earth-doped MoO3 nanoplates and lamellar crystals for optoelectronic applications

International Nuclear Information System (INIS)

Vila, M; Díaz-Guerra, C; Jerez, D; Piqueras, J; Lorenz, K; Alves, E

2014-01-01

Strong and stable room-temperature photoluminescence (PL) emission is achieved in MoO 3 nanoplates and lamellar crystals doped with Er and Eu by ion implantation and subsequent annealing. Micro-Raman and PL spectroscopy reveal that optical activation of the rare earth ions and recovery of the original MoO 3 structure are achieved for shorter annealing treatments and for lower temperatures in nanoplates, as compared with lamellar crystals. Er seems to be more readily incorporated into optically active sites in the oxide lattice than Eu. The influence of the dimensionality of the host sample on the characteristics of the PL emission of both rare earth dopants is addressed. (paper)

Conformation of single block copolymer chain in two-dimensional microphase-separated structure studied by scanning near-field optical microscopy.

Science.gov (United States)

Sekine, Ryojun; Aoki, Hiroyuki; Ito, Shinzaburo

2009-05-21

The localization and orientation of the symmetric diblock copolymer chain in a quasi-two-dimensional microphase-separated structure were studied by scanning near-field optical microscopy (SNOM). In the monolayer of poly(isobutyl methacrylate)-block-poly(octadecyl methacrylate) (PiBMA-b-PODMA), the individual PiBMA subchains were directly observed by SNOM, and the center of mass (CM) and orientational angle relative to the phase interface were examined at the single chain level. It was found that the position of the CM and the orientation of the PiBMA subchain in the lamellar structure were dependent on the curvature of the PiBMA/PODMA interface. As the interface was bent toward the objective chain, the block chain preferred the CM position closer to the domain center, and the conformation was strongly oriented perpendicularly to the domain interface. With increase of the curvature, the steric hindrance among the block chain increases, resulting in the stretched conformation.

Effects of infusion of branched chain amino-acids enriched TPN solutions on plasma amino-acid profiles in sepsis and trauma patients

NARCIS (Netherlands)

Vente, J. P.; von Meyenfeldt, M. F.; van Eijk, H. M.; van Berlo, C. L.; Gouma, D. J.; van der Linden, C. J.; Soeters, P. B.

1990-01-01

Total parenteral nutrition with branched chain amino-acids enriched solutions has been advocated in patients with sepsis and stress because of favourable effects on nitrogen balance, protein synthesis and immune competence. The rationale for the use of BCAA-enriched solutions is based on their

Observation of the dynamics of magnetically induced chains of sub-micron superparamagnetic beads in aqueous solutions by laser light scattering

International Nuclear Information System (INIS)

Tanizawa, Y; Tashiro, T; Sandhu, A; Ko, P J

2013-01-01

Optical monitoring the behaviour of magnetically induced self-assembled chains of superparamagnetic beads (SPBs) are of interest for biomedical applications such as biosensors. However, it is difficult to directly monitor magnetically induced self-assembly of sub-micron nano-beads with conventional optical microscopes. Here, we describe the optical observation of the dynamics of magnetically induced self-assembled rotating chains of 130 nm SPBs in aqueous solutions by laser light scattering. Magnetic fields of ∼1 kOe were applied to control the self-assembly chains of SPBs and their behaviour analyzed by monitoring the intensity of laser light scattered from the chain structures. We compared the light scattering from chains that were formed only by the application of external fields with chains formed by beads functionalized by EDC, where chemical reactions lead to the bonding of individual beads to form chains. The EDC experiments are a precursor to experiments on molecular recognition applications for biomedical diagnostics.

One-step solution fabrication of magnetic chains consisting of jingle-bell-shaped cobalt mesospheres

Science.gov (United States)

Liang, Fang; Guo, Lin; Zhong, QunPeng; Wen, Xiaogang; Yang, Shihe; Zheng, Wangzhi; Chen, Chinping; Zhang, Nina; Chu, Weiguo

2006-09-01

Using a one-step solution phase approach, the authors have synthesized uniform jingle bell-shaped cobalt mesopheres (550-750nm) and assembled the mesospheres into long magnetic chains (20-30μm). All of the cobalt spheres are hollow with ˜40nm thick shells but each contains an ˜200nm diameter solid ball. The nano- to mesoscale structures were realized via reaction of CoCl2•6H2O and N2H4•H2O in the presence of polyvinylpyrrolidone (PVP) in an ethylene glycol solution. Magnetic measurements show a coercivity of about 75Oe with a remnance of 9.6emu /g at 300K. We propose a possible mechanism for the formation of the nanoto mesoscale structures.

Endoscopic Anatomy of the Tensor Fold and Anterior Attic.

Science.gov (United States)

Li, Bin; Doan, Phi; Gruhl, Robert R; Rubini, Alessia; Marchioni, Daniele; Fina, Manuela

2018-02-01

Objectives The objectives of the study were to (1) study the anatomical variations of the tensor fold and its anatomic relation with transverse crest, supratubal recess, and anterior epitympanic space and (2) explore the most appropriate endoscopic surgical approach to each type of the tensor fold variants. Study Design Cadaver dissection study. Setting Temporal bone dissection laboratory. Subjects and Methods Twenty-eight human temporal bones (26 preserved and 2 fresh) were dissected through an endoscopic transcanal approach between September 2016 and June 2017. The anatomical variations of the tensor fold, transverse crest, supratubal recess, and anterior epitympanic space were studied before and after removing ossicles. Results Three different tensor fold orientations were observed: vertical (type A, 11/28, 39.3%) with attachment to the transverse crest, oblique (type B, 13/28, 46.4%) with attachment to the anterior tegmen tympani, and horizontal (type C, 4/28, 14.3%) with attachment to the tensor tympani canal. The tensor fold was a complete membrane in 20 of 28 (71.4%) specimens, preventing direct ventilation between the supratubal recess and anterior epitympanic space. We identified 3 surgical endoscopic approaches, which allowed visualization of the tensor fold without removing the ossicles. Conclusions The orientation of the tensor fold is the determining structure that dictates the conformation and limits of the epitympanic space. We propose a classification of the tensor fold based on 3 anatomical variants. We also describe 3 different minimally invasive endoscopic approaches to identify the orientation of the tensor fold while maintaining ossicular chain continuity.

Sutureless intrascleral intraocular lens fixation with lamellar dissection of scleral tunnel

Directory of Open Access Journals (Sweden)

Kawaji T

2016-01-01

Full Text Available Takahiro Kawaji,1,2 Tomoki Sato,2 Hidenobu Tanihara11Department of Ophthalmology, Faculty of Life Sciences, Kumamoto University, Chuo-ku, 2Sato Eye & Internal Medicine Clinic, Kumamoto, JapanPurpose: To report the results of sutureless scleral fixation of a posterior chamber intraocular lens (IOL by using our developed simple technique.Methods: We retrospectively reviewed the medical records of 48 eyes of 47 patients who underwent sutureless intrascleral IOL fixation by using our modified technique. A 25-gauge microvitreoretinal knife was used to perform sclerotomies and create limbus-parallel scleral tunnels with lamellar dissection in which the haptics were fixed.Results: The IOLs were fixed and centered well. The mean follow-up period was 26.7 months. Postoperative complications included smooth vitreous hemorrhage in four eyes (8.3%, cystoid macular edema in two eyes (4.2%, and iris capture of the IOL in two eyes (4.2%. No other complications, such as breakage of the IOL, spontaneous IOL dislocation, or retinal detachment, were detected during the follow-up period.Conclusion: The lamellar dissection of the limbus-parallel scleral tunnel can simplify the forceps-assisted introduction of the haptics into the scleral tunnel, and this technique seemed to be safe.Keywords: intraocular lenses, ophthalmologic surgical procedures, intrascleral fixation, sutureless fixation

Ordered quantum-ring chains grown on a quantum-dot superlattice template

International Nuclear Information System (INIS)

Wu Jiang; Wang, Zhiming M.; Holmes, Kyland; Marega, Euclydes; Mazur, Yuriy I.; Salamo, Gregory J.

2012-01-01

One-dimensional ordered quantum-ring chains are fabricated on a quantum-dot superlattice template by molecular beam epitaxy. The quantum-dot superlattice template is prepared by stacking multiple quantum-dot layers and quantum-ring chains are formed by partially capping quantum dots. Partially capping InAs quantum dots with a thin layer of GaAs introduces a morphological change from quantum dots to quantum rings. The lateral ordering is introduced by engineering the strain field of a multi-layer InGaAs quantum-dot superlattice.

Possible association between Helicobacter pylori infection and vocal fold leukoplakia.

Science.gov (United States)

Chen, Min; Chen, Jian; Yang, Yue; Cheng, Lei; Wu, Hai-Tao

2018-03-06

Several studies have indicated the larynx as possible Helicobacter pylori (H. pylori) reservoirs. This study explored the association between H. pylori and vocal fold leukoplakia. The case-control study involved 51 patients with vocal fold leukoplakia and 35 control patients with vocal polyps. Helicobacter pylori was detected in tissues by the rapid urease test, nested polymerase chain reaction (PCR), and single-step PCR. The H. pylori-specific immunoglobulin antibodies were detected in plasma by enzyme-linked immunosorbent assay (ELISA). Helicobacter pylori-positive rate of vocal fold leukoplakia and vocal polyps was 23.5% versus 11.4% (P = .157), 37.2% versus 14.3% (P = .020), 27.5% versus 8.6% (P = .031), and 70.6% versus 68.6% (P = .841) detected by rapid urease test, nested PCR, single-step PCR, and ELISA, respectively. Regression analysis indicated that H. pylori infection (P = .044) was the independent risk factor for vocal fold leukoplakia. Helicobacter pylori infection exists in the larynx and may be associated with vocal fold leukoplakia. © 2018 Wiley Periodicals, Inc.

Ru complexes of Hoveyda–Grubbs type immobilized on lamellar zeolites: activity in olefin metathesis reactions

Czech Academy of Sciences Publication Activity Database

Balcar, Hynek; Žilková, Naděžda; Kubů, Martin; Mazur, Michal; Bastl, Zdeněk; Čejka, Jiří

2015-01-01

Roč. 11, NOV 2015 (2015), s. 2087-2096 ISSN 1860-5397 Institutional support: RVO:61388955 Keywords : Hoveyda-Grubbs type catalyst * hybrid catalysts * lamellar zeolites Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.697, year: 2015

Mapping the Protein Fold Universe Using the CamTube Force Field in Molecular Dynamics Simulations.

Science.gov (United States)

Kukic, Predrag; Kannan, Arvind; Dijkstra, Maurits J J; Abeln, Sanne; Camilloni, Carlo; Vendruscolo, Michele

2015-10-01

It has been recently shown that the coarse-graining of the structures of polypeptide chains as self-avoiding tubes can provide an effective representation of the conformational space of proteins. In order to fully exploit the opportunities offered by such a 'tube model' approach, we present here a strategy to combine it with molecular dynamics simulations. This strategy is based on the incorporation of the 'CamTube' force field into the Gromacs molecular dynamics package. By considering the case of a 60-residue polyvaline chain, we show that CamTube molecular dynamics simulations can comprehensively explore the conformational space of proteins. We obtain this result by a 20 μs metadynamics simulation of the polyvaline chain that recapitulates the currently known protein fold universe. We further show that, if residue-specific interaction potentials are added to the CamTube force field, it is possible to fold a protein into a topology close to that of its native state. These results illustrate how the CamTube force field can be used to explore efficiently the universe of protein folds with good accuracy and very limited computational cost.

Structural changes in the ordering processes of macromolecular compounds

International Nuclear Information System (INIS)

Kobayashi, M.; Tashiro, K.

1998-01-01

In order to clarify the microscopically-viewed relationship between the conformational ordering process and the aggregation process of the macromolecular chains in the phase transitions from melt to solid or from solution to gel, the time-resolved Fourier-transform infrared spectra and small-angle X-ray or neutron scattering data have been analyzed in an organized manner. Two concrete examples were presented. (1) In the gelation phenomenon of syndiotactic polystyrene-organic solvent system, the ordered TTGG conformation is formed and develops with time. This conformational ordering is accelerated by the aggregation of these chain segments, resulting in the formation of macroscopic gel network. (2) In the isothermal crystallization process from the melt of polyethylene, the following ordering mechanism was revealed. The conformationally-disordered short trans conformers appear at first in the random coils of the melt. These disordered trans sequences grow to longer and more regular trans sequences of the orthorhombic-type crystal and then the isolated lamellae are formed. Afterwards, the stacked lamellar structure is developed without change of lamellar thickness but with small decrease in the long period, indicating an insertion of new lamellae between the already produced lamellar layers

The Evolution of Splint Armour in Georgia and Byzantium: Lamellar and Scale Armour in the 10th-12th Centuries

OpenAIRE

TSURTSUMIA, Mamuka

2011-01-01

Byzantine technology was part of the military technology that existed in vast areas of Eurasia; hence study of the armament of its neighbours is important.The purpose of the present paper is to add new data about Byzantium’s Caucasian neighbour (namely, Georgia). Besides that, it also includes certain views about the stages of the evolution and provenance of splint (scale and lamellar) armour. This paper also attempts to clarify the difference between banded and linear suits of lamellar armou...

New conformations of linear polyubiquitin chains from crystallographic and solution-scattering studies expand the conformational space of polyubiquitin.

Science.gov (United States)

Thach, Trung Thanh; Shin, Donghyuk; Han, Seungsu; Lee, Sangho

2016-04-01

The conformational flexibility of linkage-specific polyubiquitin chains enables ubiquitylated proteins and their receptors to be involved in a variety of cellular processes. Linear or Met1-linked polyubiquitin chains, associated with nondegradational cellular signalling pathways, have been known to adopt multiple conformations from compact to extended conformations. However, the extent of such conformational flexibility remains open. Here, the crystal structure of linear Ub2 was determined in a more compact conformation than that of the previously known structure (PDB entry 3axc). The two structures differ significantly from each other, as shown by an r.m.s.d. between C(α) atoms of 3.1 Å. The compactness of the linear Ub2 structure in comparison with PDB entry 3axc is supported by smaller values of the radius of gyration (Rg; 18 versus 18.9 Å) and the maximum interatomic distance (Dmax; 55.5 versus 57.8 Å). Extra intramolecular hydrogen bonds formed among polar residues between the distal and proximal ubiquitin moieties seem to contribute to stabilization of the compact conformation of linear Ub2. An ensemble of three semi-extended and extended conformations of linear Ub2 was also observed by small-angle X-ray scattering (SAXS) analysis in solution. In addition, the conformational heterogeneity in linear polyubiquitin chains is clearly manifested by SAXS analyses of linear Ub3 and Ub4: at least three distinct solution conformations are observed in each chain, with the linear Ub3 conformations being compact. The results expand the extent of conformational space of linear polyubiquitin chains and suggest that changes in the conformational ensemble may be pivotal in mediating multiple signalling pathways.

Solution-Grown ZnO Films toward Transparent and Smart Dual-Color Light-Emitting Diode.

Science.gov (United States)

Huang, Xiaohu; Zhang, Li; Wang, Shijie; Chi, Dongzhi; Chua, Soo Jin

2016-06-22

An individual light-emitting diode (LED) capable of emitting different colors of light under different bias conditions not only allows for compact device integration but also extends the functionality of the LED beyond traditional illumination and display. Herein, we report a color-switchable LED based on solution-grown n-type ZnO on p-GaN/n-GaN heterojunction. The LED emits red light with a peak centered at ∼692 nm and a full width at half-maximum of ∼90 nm under forward bias, while it emits green light under reverse bias. These two lighting colors can be switched repeatedly by reversing the bias polarity. The bias-polarity-switched dual-color LED enables independent control over the lighting color and brightness of each emission with two-terminal operation. The results offer a promising strategy toward transparent, miniaturized, and smart LEDs, which hold great potential in optoelectronics and optical communication.

Extended constitutive laws for lamellar phases

Directory of Open Access Journals (Sweden)

Chi-Deuk Yoo

2013-10-01

Full Text Available Classically, stress and strain rate in linear viscoelastic materials are related by a constitutive relationship involving the viscoelastic modulus G(t. The same constitutive law, within Linear Response Theory, relates currents of conserved quantities and gradients of existing conjugate variables, and it involves the autocorrelation functions of the currents in equilibrium. We explore the consequences of the latter relationship in the case of a mesoscale model of a block copolymer, and derive the resulting relationship between viscous friction and order parameter diffusion that would result in a lamellar phase. We also explicitly consider in our derivation the fact that the dissipative part of the stress tensor must be consistent with the uniaxial symmetry of the phase. We then obtain a relationship between the stress and order parameter autocorrelation functions that can be interpreted as an extended constitutive law, one that offers a way to determine them from microscopic experiment or numerical simulation.

Preparation and electrochemical properties of lamellar MnO{sub 2} for supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Yan, Jun; Wei, Tong [Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, College of Material Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); Cheng, Jie [Research Institute of Chemical Defense, Beijing 100083 (China); Fan, Zhuangjun, E-mail: fanzhj666@163.com [Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, College of Material Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China); Zhang, Milin [Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, College of Material Science and Chemical Engineering, Harbin Engineering University, Harbin 150001 (China)

2010-02-15

Lamellar birnessite-type MnO{sub 2} materials were prepared by changing the pH of the initial reaction system via hydrothermal synthesis. The interlayer spacing of MnO{sub 2} with a layered structure increased gradually when the initial pH value varied from 12.43 to 2.81, while the MnO{sub 2}, composed of {alpha}-MnO{sub 2} and {gamma}-MnO{sub 2}, had a rod-like structure at pH 0.63. Electrochemical studies indicated that the specific capacitance of birnessite-type MnO{sub 2} was much higher than that of rod-like MnO{sub 2} at high discharge current densities due to the lamellar structure with fast intercalation/deintercalation of protons and high utilization of MnO{sub 2}. The initial specific capacitance of MnO{sub 2} prepared at pH 2.81 was 242.1 F g{sup -1} at 2 mA cm{sup -2} in 2 mol L{sup -1} (NH{sub 4}){sub 2}SO{sub 4} aqueous electrolyte. The capacitance increased by about 8.1% of initial capacitance after 200 cycles at a current density of 100 mA cm{sup -2}.

Streamwise-Localized Solutions with natural 1-fold symmetry

Science.gov (United States)

Altmeyer, Sebastian; Willis, Ashley; Hof, Björn

2014-11-01

It has been proposed in recent years that turbulence is organized around unstable invariant solutions, which provide the building blocks of the chaotic dynamics. In direct numerical simulations of pipe flow we show that when imposing a minimal symmetry constraint (reflection in an axial plane only) the formation of turbulence can indeed be explained by dynamical systems concepts. The hypersurface separating laminar from turbulent motion, the edge of turbulence, is spanned by the stable manifolds of an exact invariant solution, a periodic orbit of a spatially localized structure. The turbulent states themselves (turbulent puffs in this case) are shown to arise in a bifurcation sequence from a related localized solution (the upper branch orbit). The rather complex bifurcation sequence involves secondary Hopf bifurcations, frequency locking and a period doubling cascade until eventually turbulent puffs arise. In addition we report preliminary results of the transition sequence for pipe flow without symmetry constraints.

Early surfactant guided by lamellar body counts on gastric aspirate in very preterm infants

DEFF Research Database (Denmark)

Verder, Henrik Axel; Ebbesen, Finn Oluf; Fenger-Grøn, Jesper

2013-01-01

We have developed a rapid method, based on lamellar body counts (LBC) on gastric aspirate, for identifying newborns who will develop respiratory distress syndrome with a need for surfactant supplementation. Objective: We set out to test whether it was possible to improve the outcome when used in ...

One long chain among shorter chains : the Flory approach revisited

OpenAIRE

Raphaël , E.; Fredrickson , G.; Pincus , P.

1992-01-01

We consider the mean square end-to-end distance of a long chain immersed in a monodisperse, concentrated solution of shorter, chemically identical chains. In contrast with the earlier work of Flory, no simplifying assumption on the wave vector dependence of the effective potential between segments is made. In order to obtain a closed form expression for the dimension of the long chain, we first derive a general expression for the mean square end-to-end distance of a flexible chain with arbitr...

Generation of InN nanocrystals in organic solution through laser ablation of high pressure chemical vapor deposition-grown InN thin film

International Nuclear Information System (INIS)

Alkis, Sabri; Alevli, Mustafa; Burzhuev, Salamat; Vural, Hüseyin Avni; Okyay, Ali Kemal; Ortaç, Bülend

2012-01-01

We report the synthesis of colloidal InN nanocrystals (InN-NCs) in organic solution through nanosecond pulsed laser ablation of high pressure chemical vapor deposition-grown InN thin film on GaN/sapphire template substrate. The size, the structural, the optical, and the chemical characteristics of InN-NCs demonstrate that the colloidal InN crystalline nanostructures in ethanol are synthesized with spherical shape within 5.9–25.3, 5.45–34.8, 3.24–36 nm particle-size distributions, increasing the pulse energy value. The colloidal InN-NCs solutions present strong absorption edge tailoring from NIR region to UV region.

An Integrated Multi-Echelon Supply Chain Network Design Considering Stochastic Demand: A Genetic Algorithm Based Solution

Directory of Open Access Journals (Sweden)

Sara Nakhjirkan

2017-09-01

in green supply chain. Vehicle routing between distribution centres and customers has been considered in the model. Establishment place of distribution centres among potential places is determined by the model. The distributors use continuous review policy (r, Q to control the inventory. The proposed model object is to find an optimal supply chain with minimum costs. To validate the proposed model and measure its compliance with real world problems, GAMS IDE/Cplex has been used. In order to measure the efficiency of the proposed model in large scale problems, a genetic algorithm has been used. The results confirm the efficiency of the proposed model as a practical tool for decision makers to solve location-inventory-routing problems in green supply chain. The proposed GA could reduce the solving time by 85% while reaching on the average 97% of optimal solution compared with exact method.

Chain conformations of ABA triblock coplymers in microphase-separated structures for SANS

International Nuclear Information System (INIS)

Matsushita, Y.; Nomura, M.; Watanabe, J.; Mogi, Y.; Noda, I.; Han, C.C.

1993-01-01

Single chain conformations of center block, polystyrene, of poly(2-vinylpyridine-b-styrene-b-2-vinylpyridine)(PSP) triblock copolymers of the ABA type in bulk were measured by small angle neutron scattering (SANS), while microphase separation structures were studied by small angle X-ray Scattering (SAXS) and transmission electron microscopy (TEM). From the morphological observations, PSP block copolymers have confirmed to have alternating lamellar structure both when φs = 0.33 and φs = 0.5, where φs is the volume fraction of polystyrene blocks. It was also clarified that the chain dimension of center blocks of sample with φs = 0.33 is smaller than that of sample with φs = 0.5. This result may mean that the center blocks have bridge-righ conformation when φs = 0.33 while they have loop-rich conformation when φs = 0.5. (author)

High-efficiency supercapacitor electrodes of CVD-grown graphenes hybridized with multiwalled carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Kalam, Amir Abul; Bae, Joon Ho [Dept. of Nano-physics, Gachon University, Seongnam (Korea, Republic of); Park, Soo Bin; Seo, Yong Ho [Nanotechnology and Advanced Material Engineering, HMC, and GRI, Sejong University, Seoul (Korea, Republic of)

2015-08-15

We demonstrate, for the first time, high-efficiency supercapacitors by utilizing chemical vapor deposition (CVD)-grown graphenes hybridized with multiwalled carbon nanotubes (CNTs). A single-layer graphene was grown by simple CVD growth method, and transferred to polyethylene terephthalate substrates. The bare graphenes were further hybridized with multiwalled CNTs by drop-coating CNTs on graphenes. The supercapacitors using bare graphenes and graphenes with CNTs revealed that graphenes with CNTs resulted in enhanced supercapacitor performances of 2.2- (the mass-specific capacitance) and 4.4-fold (the area-specific capacitance) of those of bare graphenes. Our strategy to improve electrochemical performance of CVD-grown graphenes is advantageous for large-scale graphene electrodes due to high electrical conductivity of CVD-grown graphenes and cost-effectiveness of using multiwalled CNTs as compared to conventional employment of single-walled CNTs.

High-efficiency supercapacitor electrodes of CVD-grown graphenes hybridized with multiwalled carbon nanotubes

International Nuclear Information System (INIS)

Kalam, Amir Abul; Bae, Joon Ho; Park, Soo Bin; Seo, Yong Ho

2015-01-01

We demonstrate, for the first time, high-efficiency supercapacitors by utilizing chemical vapor deposition (CVD)-grown graphenes hybridized with multiwalled carbon nanotubes (CNTs). A single-layer graphene was grown by simple CVD growth method, and transferred to polyethylene terephthalate substrates. The bare graphenes were further hybridized with multiwalled CNTs by drop-coating CNTs on graphenes. The supercapacitors using bare graphenes and graphenes with CNTs revealed that graphenes with CNTs resulted in enhanced supercapacitor performances of 2.2- (the mass-specific capacitance) and 4.4-fold (the area-specific capacitance) of those of bare graphenes. Our strategy to improve electrochemical performance of CVD-grown graphenes is advantageous for large-scale graphene electrodes due to high electrical conductivity of CVD-grown graphenes and cost-effectiveness of using multiwalled CNTs as compared to conventional employment of single-walled CNTs

Impact of hydrodynamic interactions on protein folding rates depends on temperature

Science.gov (United States)

Zegarra, Fabio C.; Homouz, Dirar; Eliaz, Yossi; Gasic, Andrei G.; Cheung, Margaret S.

2018-03-01

We investigated the impact of hydrodynamic interactions (HI) on protein folding using a coarse-grained model. The extent of the impact of hydrodynamic interactions, whether it accelerates, retards, or has no effect on protein folding, has been controversial. Together with a theoretical framework of the energy landscape theory (ELT) for protein folding that describes the dynamics of the collective motion with a single reaction coordinate across a folding barrier, we compared the kinetic effects of HI on the folding rates of two protein models that use a chain of single beads with distinctive topologies: a 64-residue α /β chymotrypsin inhibitor 2 (CI2) protein, and a 57-residue β -barrel α -spectrin Src-homology 3 domain (SH3) protein. When comparing the protein folding kinetics simulated with Brownian dynamics in the presence of HI to that in the absence of HI, we find that the effect of HI on protein folding appears to have a "crossover" behavior about the folding temperature. This means that at a temperature greater than the folding temperature, the enhanced friction from the hydrodynamic solvents between the beads in an unfolded configuration results in lowered folding rate; conversely, at a temperature lower than the folding temperature, HI accelerates folding by the backflow of solvent toward the folded configuration of a protein. Additionally, the extent of acceleration depends on the topology of a protein: for a protein like CI2, where its folding nucleus is rather diffuse in a transition state, HI channels the formation of contacts by favoring a major folding pathway in a complex free energy landscape, thus accelerating folding. For a protein like SH3, where its folding nucleus is already specific and less diffuse, HI matters less at a temperature lower than the folding temperature. Our findings provide further theoretical insight to protein folding kinetic experiments and simulations.

One Peptide Reveals the Two Faces of α-Helix Unfolding-Folding Dynamics.

Science.gov (United States)

Jesus, Catarina S H; Cruz, Pedro F; Arnaut, Luis G; Brito, Rui M M; Serpa, Carlos

2018-04-12

The understanding of fast folding dynamics of single α-helices comes mostly from studies on rationally designed peptides displaying sequences with high helical propensity. The folding/unfolding dynamics and energetics of α-helix conformations in naturally occurring peptides remains largely unexplored. Here we report the study of a protein fragment analogue of the C-peptide from bovine pancreatic ribonuclease-A, RN80, a 13-amino acid residue peptide that adopts a highly populated helical conformation in aqueous solution. 1 H NMR and CD structural studies of RN80 showed that α-helix formation displays a pH-dependent bell-shaped curve, with a maximum near pH 5, and a large decrease in helical content in alkaline pH. The main forces stabilizing this short α-helix were identified as a salt bridge formed between Glu-2 and Arg-10 and the cation-π interaction involving Tyr-8 and His-12. Thus, deprotonation of Glu-2 or protonation of His-12 are essential for the RN80 α-helix stability. In the present study, RN80 folding and unfolding were triggered by laser-induced pH jumps and detected by time-resolved photoacoustic calorimetry (PAC). The photoacid proton release, amino acid residue protonation, and unfolding/folding events occur at different time scales and were clearly distinguished using time-resolved PAC. The partial unfolding of the RN80 α-helix, due to protonation of Glu-2 and consequent breaking of the stabilizing salt bridge between Glu-2 and Arg-10, is characterized by a concentration-independent volume expansion in the sub-microsecond time range (0.8 mL mol -1 , 369 ns). This small volume expansion reports the cost of peptide backbone rehydration upon disruption of a solvent-exposed salt bridge, as well as backbone intrinsic expansion. On the other hand, RN80 α-helix folding triggered by His-12 protonation and subsequent formation of a cation-π interaction leads to a microsecond volume contraction (-6.0 mL mol -1 , ∼1.7 μs). The essential role of two

The Ability of Human Nasal Inferior Turbinate-Derived Mesenchymal Stem Cells to Repair Vocal Fold Injuries.

Science.gov (United States)

Kim, Choung-Soo; Choi, Hyunsu; Park, Ki Cheol; Kim, Sung Won; Sun, Dong-Il

2018-03-01

Objective This study investigated the ability of implanted human nasal inferior turbinate-derived mesenchymal stem cells (hTMSCs) to repair injured vocal folds. To this end, we used quantitative real-time polymerase chain reaction (PCR) to analyze the early phase of wound healing and histopathological analysis to explore the late phase of wound healing in xenograft animal models. Study Design Prospective animal study. Setting Research laboratory. Subjects and Methods The right-side lamina propria of the vocal fold was injured in 20 rabbits and 30 rats. Next, hTMSCs were implanted into half of the injured vocal folds (hTMSC groups). As a control, phosphate-buffered saline (PBS) was injected into the other half of the injured vocal folds (PBS groups). Rat vocal folds were harvested for polymerase chain reaction (PCR) at 1 week after injury. Rabbit vocal folds were evaluated endoscopically and the larynges harvested for histological and immunohistochemical examination at 2 and 8 weeks after injury. Results In the hTMSC group, PCR showed that hyaluronan synthase ( HAS) 1, HAS 2, and transforming growth factor ( TGF)-β1 were significantly upregulated compared with the PBS group. Procollagen type III ( COL III) messenger RNA expression was significantly upregulated in the PBS group compared with the normal group. Histological analyses showed that hTMSC administration afforded more favorable collagen and hyaluronic acid deposition than was evident in the controls. Implanted hTMSCs were observed in injured vocal folds 2 weeks after implantation. Conclusions Our results show that hTMSCs implantation into injured vocal folds facilitated vocal fold regeneration, with presenting antifibrotic effects.

The Complexity of Folding Self-Folding Origami

Science.gov (United States)

Stern, Menachem; Pinson, Matthew B.; Murugan, Arvind

2017-10-01

Why is it difficult to refold a previously folded sheet of paper? We show that even crease patterns with only one designed folding motion inevitably contain an exponential number of "distractor" folding branches accessible from a bifurcation at the flat state. Consequently, refolding a sheet requires finding the ground state in a glassy energy landscape with an exponential number of other attractors of higher energy, much like in models of protein folding (Levinthal's paradox) and other NP-hard satisfiability (SAT) problems. As in these problems, we find that refolding a sheet requires actuation at multiple carefully chosen creases. We show that seeding successful folding in this way can be understood in terms of subpatterns that fold when cut out ("folding islands"). Besides providing guidelines for the placement of active hinges in origami applications, our results point to fundamental limits on the programmability of energy landscapes in sheets.

Stretching and folding mechanism in foams

International Nuclear Information System (INIS)

Tufaile, Alberto; Pedrosa Biscaia Tufaile, Adriana

2008-01-01

We have described the stretching and folding of foams in a vertical Hele-Shaw cell containing air and a surfactant solution, from a sequence of upside-down flips. Besides the fractal dimension of the foam, we have observed the logistic growth for the soap film length. The stretching and folding mechanism is present during the foam formation, and this mechanism is observed even after the foam has reached its respective maximum fractal dimension. Observing the motion of bubbles inside the foam, large bubbles present power spectrum associated with random walk motion in both directions, while the small bubbles are scattered like balls in a Galton board

Stretching and folding mechanism in foams

Energy Technology Data Exchange (ETDEWEB)

Tufaile, Alberto [Escola de Artes, Ciencias e Humanidades, Soft Matter Laboratory, Universidade de Sao Paulo, 03828-000 Sao Paulo, SP (Brazil)], E-mail: tufaile@usp.br; Pedrosa Biscaia Tufaile, Adriana [Escola de Artes, Ciencias e Humanidades, Soft Matter Laboratory, Universidade de Sao Paulo, 03828-000 Sao Paulo, SP (Brazil)

2008-10-13

We have described the stretching and folding of foams in a vertical Hele-Shaw cell containing air and a surfactant solution, from a sequence of upside-down flips. Besides the fractal dimension of the foam, we have observed the logistic growth for the soap film length. The stretching and folding mechanism is present during the foam formation, and this mechanism is observed even after the foam has reached its respective maximum fractal dimension. Observing the motion of bubbles inside the foam, large bubbles present power spectrum associated with random walk motion in both directions, while the small bubbles are scattered like balls in a Galton board.

Analysis of high-fold gamma data

International Nuclear Information System (INIS)

Radford, D. C.; Cromaz, M.; Beyer, C. J.

1999-01-01

Historically, γ-γ and γ-γ-γ coincidence spectra were utilized to build nuclear level schemes. With the development of large detector arrays, it has became possible to analyze higher fold coincidence data sets. This paper briefly reports on software to analyze 4-fold coincidence data sets that allows creation of 4-fold histograms (hypercubes) of at least 1024 channels per side (corresponding to a 43 gigachannel data space) that will fit onto a few gigabytes of disk space, and extraction of triple-gated spectra in a few seconds. Future detector arrays may have even much higher efficiencies, and detect as many as 15 or 20 γ rays simultaneously; such data will require very different algorithms for storage and analysis. Difficulties inherent in the analysis of such data are discussed, and two possible new solutions are presented, namely adaptive list-mode systems and 'list-list-mode' storage

Contribution of water hyacinth (Eichhornia crassipes (Mart.) Solms) grown under different nutrient conditions to Fe-removal mechanisms in constructed wetlands.

Science.gov (United States)

Jayaweera, Mahesh W; Kasturiarachchi, Jagath C; Kularatne, Ranil K A; Wijeyekoon, Suren L J

2008-05-01

Severe contamination of water resources including groundwater with iron (Fe) due to various anthropogenic activities has been a major environmental problem in industrial areas of Sri Lanka. Hence, the use of the obnoxious weed, water hyacinth (Eichhornia crassipes (Mart.) Solms) in constructed wetlands (floating aquatic macrophyte-based plant treatment systems) to phytoremediate Fe-rich wastewaters seems to be an appealing option. Although several studies have documented that hyacinths are good metal-accumulating plants none of these studies have documented the ability of this plant grown under different nutrient conditions to remove heavy metals from wastewaters. This paper, therefore, reports the phytoremediation efficiencies of water hyacinth grown under different nutrient conditions for Fe-rich wastewaters in batch-type constructed wetlands. This study was conducted for 15 weeks after 1-week acclimatization by culturing young water hyacinth plants (average height of 20+/-2cm) in 590L capacity fiberglass tanks under different nutrient concentrations of 1-fold [28 and 7.7mg/L of total nitrogen (TN) and total phosphorous (TP), respectively], 2-fold, 1/2-fold, 1/4-fold and 1/8-fold with synthetic wastewaters containing 9.27Femg/L. Another set-up of hyacinths containing only Fe as a heavy metal but without any nutrients (i.e., 0-fold) was also studied. A mass balance was carried out to investigate the phytoremediation efficiencies and to determine the different mechanisms governing Fe removal from the wastewaters. Fe removal was largely due to phytoremediation mainly through the process of rhizofiltration and chemical precipitation of Fe2O3 and FeOH3 followed by flocculation and sedimentation. However, chemical precipitation was more significant especially during the first 3 weeks of the study. Plants grown in the 0-fold set-up showed the highest phytoremediation efficiency of 47% during optimum growth at the 6th week with a highest accumulation of 6707Femg/kg dry

The Complexity of Folding Self-Folding Origami

Directory of Open Access Journals (Sweden)

Menachem Stern

2017-12-01

Full Text Available Why is it difficult to refold a previously folded sheet of paper? We show that even crease patterns with only one designed folding motion inevitably contain an exponential number of “distractor” folding branches accessible from a bifurcation at the flat state. Consequently, refolding a sheet requires finding the ground state in a glassy energy landscape with an exponential number of other attractors of higher energy, much like in models of protein folding (Levinthal’s paradox and other NP-hard satisfiability (SAT problems. As in these problems, we find that refolding a sheet requires actuation at multiple carefully chosen creases. We show that seeding successful folding in this way can be understood in terms of subpatterns that fold when cut out (“folding islands”. Besides providing guidelines for the placement of active hinges in origami applications, our results point to fundamental limits on the programmability of energy landscapes in sheets.

Lattice cluster theory of associating polymers. I. Solutions of linear telechelic polymer chains.

Science.gov (United States)

Dudowicz, Jacek; Freed, Karl F

2012-02-14

The lattice cluster theory (LCT) for the thermodynamics of a wide array of polymer systems has been developed by using an analogy to Mayer's virial expansions for non-ideal gases. However, the high-temperature expansion inherent to the LCT has heretofore precluded its application to systems exhibiting strong, specific "sticky" interactions. The present paper describes a reformulation of the LCT necessary to treat systems with both weak and strong, "sticky" interactions. This initial study concerns solutions of linear telechelic chains (with stickers at the chain ends) as the self-assembling system. The main idea behind this extension of the LCT lies in the extraction of terms associated with the strong interactions from the cluster expansion. The generalized LCT for sticky systems reduces to the quasi-chemical theory of hydrogen bonding of Panyioutou and Sanchez when correlation corrections are neglected in the LCT. A diagrammatic representation is employed to facilitate the evaluation of the corrections to the zeroth-order approximation from short range correlations. © 2012 American Institute of Physics

Synthesis and characterization of lamellar aragonite with hydrophobic property

International Nuclear Information System (INIS)

Wang Chengyu; Xu Yang; Liu Yalan; Li Jian

2009-01-01

A novel and simple synthetic method for the preparation of hydrophobic lamellar aragonite has been developed. The crystallization of aragonite was conducted by the reaction of sodium carbonate with calcium chloride in the presence of sodium stearate. The resulting products were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR) and the contact angle. The results revealed that sodium stearate plays an important role in determining the structure and morphology of the sample. Besides, we have succeeded in surface modification of particles in situ at the same time. The contact angle of the modified aragonite reached 108.59 deg.

1H NMR studies of plastocyanin from Scenedesmus obliquus: Complete sequence-specific assignment, secondary structure analysis, and global fold

International Nuclear Information System (INIS)

Moore, J.M.; Chazin, W.J.; Wright, P.E.; Powls, R.

1988-01-01

Two-dimensional 1 H NMR methods have been used to make sequence-specific resonance assignments for the 97 amino acid residues of the plastocyanin from the green alga Scenedesmus obliquus. Assignments were obtained for all backbone protons and the majority of the side-chain protons. Spin system identification relied heavily on the observation of relayed connectivities to the backbone amide proton. Sequence-specific assignments were made by using the sequential assignment procedure. During this process, an extra valine residue was identified that had not been detected in the original amino acid sequence. Elements of regular secondary structure were identified from characteristic NOE connectivities between backbone protons, coupling constant values, and the observation of slowly exchanging amide protons. The protein in solution contains eight β-strands, one short segment of helix, five reverse turns, and five loops. The β-strands may be arranged into two βsheets on the basis of extensive cross-strand NOE connectivities. The chain-folding topology determined from the NMR experiments is that of a Greek key β-barrel and is similar to that observed for French bean plastocyanin in solution and poplar plastocyanin in the crystalline state. While the overall structures are similar, several differences in local structure between the S. obliquus and higher plant plastocyanins have been identified

Role of Side-Chain Molecular Features in Tuning Lower Critical Solution Temperatures (LCSTs) of Oligoethylene Glycol Modified Polypeptides.

Science.gov (United States)

Gharakhanian, Eric G; Deming, Timothy J

2016-07-07

A series of thermoresponsive polypeptides has been synthesized using a methodology that allowed facile adjustment of side-chain functional groups. The lower critical solution temperature (LCST) properties of these polymers in water were then evaluated relative to systematic molecular modifications in their side-chains. It was found that in addition to the number of ethylene glycol repeats in the side-chains, terminal and linker groups also have substantial and predictable effects on cloud point temperatures (Tcp). In particular, we found that the structure of these polypeptides allowed for inclusion of polar hydroxyl groups, which significantly increased their hydrophilicity and decreased the need to use long oligoethylene glycol repeats to obtain LCSTs. The thioether linkages in these polypeptides were found to provide an additional structural feature for reversible switching of both polypeptide conformation and thermoresponsive properties.

Side-chain-controlled self-assembly of polystyrene-polypeptide miktoarm star copolymers

KAUST Repository

Junnila, Susanna

2012-03-27

We show how the self-assembly of miktoarm star copolymers can be controlled by modifying the side chains of their polypeptide arms, using A 2B and A 2B 2 type polymer/polypeptide hybrids (macromolecular chimeras). Initially synthesized PS 2PBLL and PS 2PBLL 2 (PS, polystyrene; PBLL, poly(ε-tert-butyloxycarbonyl-l-lysine) ) miktoarms were first deprotected to PS 2PLLHCl and PS 2PLLHCl 2 miktoarms (PLLHCl, poly(l-lysine hydrochloride)) and then complexed ionically with sodium dodecyl sulfonate (DS) to give the supramolecular complexes PS 2PLL(DS) and PS 2(PLL(DS)) 2. The solid-state self-assemblies of these six miktoarm systems were studied by transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and small- and wide-angle X-ray scattering (SAXS, WAXS). The side chains of the polypeptide arms were observed to have a large effect on the solubility, polypeptide conformation, and self-assembly of the miktoarms. Three main categories were observed: (i) lamellar self-assemblies at the block copolymer length scale with packed layers of α-helices in PS 2PBLL and PS 2PBLL 2; (ii) charge-clustered polypeptide micelles with less-defined conformations in a nonordered lattice within a PS matrix in PS 2PLLHCl and PS 2PLLHCl 2; (iii) lamellar polypeptide-surfactant self-assemblies with β-sheet conformation in PS 2PLL(DS) and PS 2(PLL(DS)) 2 which dominate over the formation of block copolymer scale structures. Differences between the 3- and 4-arm systems illustrate how packing frustration between the coil-like PS arms and rigid polypeptide conformations can be relieved by the right number of arms, leading to differences in the extent of order. © 2012 American Chemical Society.

Chain conformations of the component polymers and the microphase separation structures of homopolymer/block coplymer blends

International Nuclear Information System (INIS)

Torikai, Naoya; Mogi, Yasuhiro; Matsushita, Yushu; Noda, Ichiro; Han, C.C.

1993-01-01

Microdomain spacings of lamellar structures formed by styrene homopolymer/styrene-2-vinylpyridine diblock copolymer/2-vinylpyridine homopolymer blends were measured by small-angle X-ray scattering (SAXS) and single chain conformations of block copolymers in the same blend system were measured by small-angle neutron scattering (SANS). The molecular weight of diblock copolymers is 78K-72K, and three kinds of styrene homopolymer (S H ) and 2-vinylpyridine homopolymer (P H ) pairs were blended, their molecular weight ratios to that of host block chains were 0.17, 0.38, and 0.78, respectively. Two blend ratios of homopolymer (H)/block copolymer (B), i.e. 1/2 and 1/1 were examined. It was found that the domain spacings of all blends are larger than that of pure block copolymer and that they are increasing with increasing the molecular weight of homopolymers and/or with increasing the volume fraction of homopolymers. Further, block chains in the blends were confirmed to have almost the same chain dimension as that of block chain in pure block copolymer system in the direction parallel to the domain interface irrespective of molecular weight and volume fraction of homopolymers. (author)

The exact solution and the finite-size behaviour of the Osp(1vertical stroke 2)-invariant spin chain

International Nuclear Information System (INIS)

Martins, M.J.

1995-01-01

We have solved exactly the Osp(1vertical stroke 2) spin chain by the Bethe ansatz approach. Our solution is based on an equivalence between the Osp(1vertical stroke 2) chain and a certain special limit of the Izergin-Korepin vertex model. The completeness of the Bethe ansatz equations is discussed for a system with four sites and the appearance of special string structures is noted. The Bethe ansatz presents an important phase factor which distinguishes the even and odd sectors of the theory. The finite-size properties are governed by a conformal field theory with central charge c=1. (orig.)

Peptide folding in the presence of interacting protein crowders

Energy Technology Data Exchange (ETDEWEB)

Bille, Anna, E-mail: anna.bille@thep.lu.se; Irbäck, Anders, E-mail: anders@thep.lu.se [Computational Biology and Biological Physics, Department of Astronomy and Theoretical Physics, Lund University, Sölvegatan 14A, SE-223 62 Lund (Sweden); Mohanty, Sandipan, E-mail: s.mohanty@fz-juelich.de [Jülich Supercomputing Centre, Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich (Germany)

2016-05-07

Using Monte Carlo methods, we explore and compare the effects of two protein crowders, BPTI and GB1, on the folding thermodynamics of two peptides, the compact helical trp-cage and the β-hairpin-forming GB1m3. The thermally highly stable crowder proteins are modeled using a fixed backbone and rotatable side-chains, whereas the peptides are free to fold and unfold. In the simulations, the crowder proteins tend to distort the trp-cage fold, while having a stabilizing effect on GB1m3. The extent of the effects on a given peptide depends on the crowder type. Due to a sticky patch on its surface, BPTI causes larger changes than GB1 in the melting properties of the peptides. The observed effects on the peptides stem largely from attractive and specific interactions with the crowder surfaces, and differ from those seen in reference simulations with purely steric crowder particles.

Effect of alkyl chain length on the rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium-bis(trifluoromethylsulfonyl)imides.

Science.gov (United States)

Gangamallaiah, V; Dutt, G B

2013-10-10

Rotational diffusion of a nonpolar solute 9-phenylanthracene (9-PA) and a cationic solute rhodamine 110 (R110) has been examined in a series of 1-alkyl-3-methylimidazolium (alkyl = octyl, decyl, dodecyl, tetradecyl, hexadecyl, and octadecyl) bis(trifluoromethylsulfonyl)imides to understand the influence of alkyl chain length on solute rotation. In this study, reorientation times (τr) have been measured as a function of viscosity (η) by varying the temperature (T) of the solvents. These results have been analyzed using the Stokes-Einstein-Debye (SED) hydrodynamic theory along with the ones obtained for the same solutes in 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides (Gangamallaiah and Dutt, J. Phys. Chem. B 2012, 116, 12819-12825). It has been noticed that the data for 9-PA and R110 follows the relation τr = A(η/T)(n) with A being the ratio of hydrodynamic volume of the solute to the Boltzmann constant and n = 1 as envisaged by the SED theory. However, upon increasing the alkyl chain length from methyl to octadecyl significant deviations from the SED theory have been observed especially from the octyl derivative onward. From methyl to octadecyl derivatives, the value of A decreases by a factor of 3 for both the solutes and n by a factor of 1.4 and 1.6 for 9-PA and R110, respectively. These observations have been rationalized by taking into consideration the organized structure of the ionic liquids, whose influence appears to be pronounced when the number of carbon atoms in the alkyl chain attached to the imidazolium cation exceeds eight.

Supply chain solutions to improve the distribution of antiretroviral ...

African Journals Online (AJOL)

Mamolise Mokheseng

Received 8 September 2015. Accepted 4 ... the hospital; as well as poor inventory management and poor overall communication. ..... This ensure the smooth running of supply chain operations. ...... Supply chain logistics management (4th ed.).

Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles.

Science.gov (United States)

Teilum, Kaare; Thormann, Thorsten; Caterer, Nigel R; Poulsen, Heidi I; Jensen, Peter H; Knudsen, Jens; Kragelund, Birthe B; Poulsen, Flemming M

2005-04-01

Comparison of the folding processes for homologue proteins can provide valuable information about details in the interactions leading to the formation of the folding transition state. Here the folding kinetics of 18 variants of yACBP and 3 variants of bACBP have been studied by Phi-value analysis. In combination with Phi-values from previous work, detailed insight into the transition states for folding of both yACBP and bACBP has been obtained. Of the 16 sequence positions that have been studied in both yACBP and bACBP, 5 (V12, I/L27, Y73, V77, and L80) have high Phi-values and appear to be important for the transition state formation in both homologues. Y31, A34, and A69 have high Phi-values only in yACBP, while F5, A9, and I74 have high Phi-values only in bACBP. Thus, additional interactions between helices A2 and A4 appear to be important for the transition state of yACBP, whereas additional interactions between helices A1 and A4 appear to be important for the transition state of bACBP. To examine whether these differences could be assigned to different packing of the residues in the native state, a solution structure of yACBP was determined by NMR. Small changes in the packing of the hydrophobic side-chains, which strengthen the interactions between helices A2 and A4, are observed in yACBP relative to bACBP. It is suggested that different structure elements serve as scaffolds for the folding of the 2 ACBP homologues. (c) 2005 Wiley-Liss, Inc.

Rigid Origami via Optical Programming and Deferred Self-Folding of a Two-Stage Photopolymer.

Science.gov (United States)

Glugla, David J; Alim, Marvin D; Byars, Keaton D; Nair, Devatha P; Bowman, Christopher N; Maute, Kurt K; McLeod, Robert R

2016-11-02

We demonstrate the formation of shape-programmed, glassy origami structures using a single-layer photopolymer with two mechanically distinct phases. The latent origami pattern consisting of rigid, high cross-link density panels and flexible, low cross-link density creases is fabricated using a series of photomask exposures. Strong optical absorption of the polymer formulation creates depth-wise gradients in the cross-link density of the creases, enforcing directed folding which enables programming of both mountain and valley folds within the same sheet. These multiple photomask patterns can be sequentially applied because the sheet remains flat until immersed into a photopolymerizable monomer solution that differentially swells the polymer to fold and form the origami structure. After folding, a uniform photoexposure polymerizes the absorbed solution, permanently fixing the shape of the folded structure while simultaneously increasing the modulus of the folds. This approach creates sharp folds by mimicking the stiff panels and flexible creases of paper origami while overcoming the traditional trade-off of self-actuated materials that require low modulus for folding and high modulus for mechanical robustness. Using this process, we demonstrate a waterbomb base capable of supporting 1500 times its own weight.

Novel spatula and dissector for safer deep anterior lamellar keratoplasty

Directory of Open Access Journals (Sweden)

Gustavo ,2,3 Bonfadini

2014-10-01

Full Text Available Objective: We describe a novel spatula and dissector to facilitate the big-bubble technique in deep anterior lamellar keratoplasty (DALK. Methods: A 29-year-old man who was diagnosed with bilateral keratoconus underwent deep anterior lamellar keratoplasty (DALK. After 350μm partial thickness incision of the recipient cornea, the Bonfadini dissector was inserted at the deepest point in the peripheral incision and could be advanced to the center of the cornea safely because of its "semi-sharp" tip. After achieving the big-bubble (BB separation of Descemet membrane (DM from the overlying stroma, the anterior stromal disc was removed. Viscoelastic material was placed on the stromal bed to prevent uncontrolled collapse and perforation of DM during the paracentesis blade incision into the BB. We could detect the safe opening of the BB using the Bonfadini dissector by the leakage of air bubbles into the viscoelastic material. After injecting viscoelastic material into the BB space, we inserted the Bonfadini spatula into the bigbubble safely because of its curved profile and blunt edges. The groove along the length of the Bonfadini spatula enables safe and efficient incision or the residual stromal tissue using the pointed end of a sharp blade while protecting the underlying DM. After removal of posterior stroma, the donor button was sutured with 16 interrupted 10-0 nylon sutures. Results: This technique and the use of the Bonfadini spatula and dissector facilitate exposure of Descemet membrane. Conclusion: The smooth Bonfadini DALK spatula and dissector facilitate safe and efficient completion of DALK surgery.

WW domain folding complexity revealed by infrared spectroscopy.

Science.gov (United States)

Davis, Caitlin M; Dyer, R Brian

2014-09-02

Although the intrinsic tryptophan fluorescence of proteins offers a convenient probe of protein folding, interpretation of the fluorescence spectrum is often difficult because it is sensitive to both global and local changes. Infrared (IR) spectroscopy offers a complementary measure of structural changes involved in protein folding, because it probes changes in the secondary structure of the protein backbone. Here we demonstrate the advantages of using multiple probes, infrared and fluorescence spectroscopy, to study the folding of the FBP28 WW domain. Laser-induced temperature jumps coupled with fluorescence or infrared spectroscopy have been used to probe changes in the peptide backbone on the submillisecond time scale. The relaxation dynamics of the β-sheets and β-turn were measured independently by probing the corresponding IR bands assigned in the amide I region. Using these wavelength-dependent measurements, we observe three kinetics phases, with the fastest process corresponding to the relaxation kinetics of the turns. In contrast, fluorescence measurements of the wild-type WW domain and tryptophan mutants exhibit single-exponential kinetics with a lifetime that corresponds to the slowest phase observed by infrared spectroscopy. Mutant sequences provide evidence of an intermediate dry molten globule state. The slowest step in the folding of this WW domain is the tight packing of the side chains in the transition from the dry molten globule intermediate to the native structure. This study demonstrates that using multiple complementary probes enhances the interpretation of protein folding dynamics.

Recovery of Vocal Fold Epithelium after Acute Phonotrauma.

Science.gov (United States)

Rousseau, Bernard; Kojima, Tsuyoshi; Novaleski, Carolyn K; Kimball, Emily E; Valenzuela, Carla V; Mizuta, Masanobu; Daniero, James J; Garrett, C Gaelyn; Sivasankar, M Preeti

2017-01-01

We investigated the timeline of tissue repair of vocal fold epithelium after acute vibration exposure using an in vivo rabbit model. Sixty-five New Zealand white breeder rabbits were randomized to 120 min of modal- or raised-intensity phonation. After the larynges were harvested at 0, 4, 8, and 24 h, and at 3 and 7 days, the vocal fold tissue was evaluated using electron microscopy and quantitative real-time polymerase chain reaction. There was an immediate decrease in the microprojection depth and height following raised-intensity phonation, paired with upregulation of cyclooxygenase-2. This initial 24-h period was also characterized by the significant downregulation of junction proteins. Interleukin 1β and transforming growth factor β1 were upregulated for 3 and 7 days, respectively, followed by an increase in epithelial cell surface depth at 3 and 7 days. These data appear to demonstrate a shift from inflammatory response to the initiation of a restorative process in the vocal fold epithelium between 24 h and 3 days. Despite the initial damage from raised-intensity phonation, the vocal fold epithelium demonstrates a remarkable capacity for the expeditious recovery of structural changes from transient episodes of acute phonotrauma. While structurally intact, the return of functional barrier integrity may be delayed by repeated episodes of phonotrauma and may also play an important role in the pathophysiology of vocal fold lesions. © 2017 S. Karger AG, Basel.

Repair of articular osteochondral defects of the knee joint using a composite lamellar scaffold.

Science.gov (United States)

Lv, Y M; Yu, Q S

2015-04-01

The major problem with repair of an articular cartilage injury is the extensive difference in the structure and function of regenerated, compared with normal cartilage. Our work investigates the feasibility of repairing articular osteochondral defects in the canine knee joint using a composite lamellar scaffold of nano-ß-tricalcium phosphate (ß-TCP)/collagen (col) I and II with bone marrow stromal stem cells (BMSCs) and assesses its biological compatibility. The bone-cartilage scaffold was prepared as a laminated composite, using hydroxyapatite nanoparticles (nano-HAP)/collagen I/copolymer of polylactic acid-hydroxyacetic acid as the bony scaffold, and sodium hyaluronate/poly(lactic-co-glycolic acid) as the cartilaginous scaffold. Ten-to 12-month-old hybrid canines were randomly divided into an experimental group and a control group. BMSCs were obtained from the iliac crest of each animal, and only those of the third generation were used in experiments. An articular osteochondral defect was created in the right knee of dogs in both groups. Those in the experimental group were treated by implanting the composites consisting of the lamellar scaffold of ß-TCP/col I/col II/BMSCs. Those in the control group were left untreated. After 12 weeks of implantation, defects in the experimental group were filled with white semi-translucent tissue, protruding slightly over the peripheral cartilage surface. After 24 weeks, the defect space in the experimental group was filled with new cartilage tissues, finely integrated into surrounding normal cartilage. The lamellar scaffold of ß-TCP/col I/col II was gradually degraded and absorbed, while new cartilage tissue formed. In the control group, the defects were not repaired. This method can be used as a suitable scaffold material for the tissue-engineered repair of articular cartilage defects. Cite this article: Bone Joint Res 2015;4:56-64. ©2015 The British Editorial Society of Bone & Joint Surgery.

Kinetics and mechanism of the pressure-induced lamellar order/disorder transition in phosphatidylethanolamine: a time-resolved X-ray diffraction study.

Science.gov (United States)

Mencke, A P; Caffrey, M

1991-03-05

By using synchrotron radiation, a movie was made of the X-ray scattering pattern from a biological liquid crystal undergoing a phase transition induced by a pressure jump. The system studied includes the fully hydrated phospholipid dihexadecylphosphatidylethanolamine in the lamellar gel (L beta') phase at a temperature of 68 degrees C and a pressure of 9.7 MPa (1400 psig). Following the rapid release of pressure to atmospheric the L beta' phase transforms slowly into the lamellar liquid crystal (L alpha) phase. The pressure perturbation is applied with the intention of producing a sudden phase disequilibrium followed by monitoring the system as it relaxes to its new equilibrium condition. Remarkably, the proportion of sample in the L alpha phase grows linearly with time, taking 37 s to totally consume the L beta' phase. The time dependencies of radius, peak intensity, and width of the powder diffraction ring of the low-angle (001) lamellar reflections were obtained from the movie by image processing. The concept of an "effective pressure" is introduced to account for the temperature variations that accompany the phase transition and to establish that the observed large transit time is indeed intrinsic to the sample and not due to heat exchange with the environment. The reverse transformation, L alpha to L beta', induced by a sudden jump from atmospheric pressure to 9.7 MPa, is complete in less than 13 s. These measurements represent a new approach for studying the kinetics of lipid phase transitions and for gaining insights into the mechanism of the lamellar order/disorder transition.

Hierarchical Formation of Fibrillar and Lamellar Self-Assemblies from Guanosine-Based Motifs

Directory of Open Access Journals (Sweden)

Paolo Neviani

2010-01-01

Full Text Available Here we investigate the supramolecular polymerizations of two lipophilic guanosine derivatives in chloroform by light scattering technique and TEM experiments. The obtained data reveal the presence of several levels of organization due to the hierarchical self-assembly of the guanosine units in ribbons that in turn aggregate in fibrillar or lamellar soft structures. The elucidation of these structures furnishes an explanation to the physical behaviour of guanosine units which display organogelator properties.

Effect of an external magnetic field on polytypism of CdI2 crystals grown from solutions

International Nuclear Information System (INIS)

Palosz, B.; Przedmojski, J.

1982-01-01

The effect of growth conditions on the polytypic structure of crystals of CdI 2 was analyzed for crystallization from solutions. Three solvents were used: H 2 O, 3 H 2 O + 1 C 2 H 5 OH and 1 H 2 O + 1 C 2 H 5 OH. Crystals were grown at two temperatures: 5 and 25 0 C with low and high growth rates; an external magnetic field of about 0.25 tesla was used. The effect of the above three parameters on the formation of the basic polytypes 2H and 4H and on the ordering of faults in disordered structures and in polytype cells was studied by X-ray analysis of crystal surfaces. Some distinct relations between the polytypic structure of crystals of CdI 2 and the magnetic field were found. (author)

Synchrotron X-ray scattering study on stratum corneum of skin. Toward applied research based upon basic research

International Nuclear Information System (INIS)

Hatta, Ichiro; Ohta, Noboru; Yagi, Naoto

2008-01-01

On considering the applied research on stratum corneum of skin, it is indispensable to know the structure at the molecular level. However, there is even now in a controversy among the researchers who are performing its X-ray scattering study. Here we introduce our solution for the two problems: One is the correlation between the lamellar structures and hydrocarbon-chain packings in intercellular lipid matrix and the other is the existence of water layers in the short lamellar structure. These studies have become possible for the first time by making good use of synchrotron small-angle/wide-angle X-ray diffraction. Based upon the structural evidence, we can further carry out the applied research in stratum corneum. (author)

Self-assembly of block copolymer micelles: synthesis via reversible addition-fragmentation chain transfer polymerization and aqueous solution properties.

Science.gov (United States)

Mya, Khine Y; Lin, Esther M J; Gudipati, Chakravarthy S; Gose, Halima B A S; He, Chaobin

2010-07-22

Poly(hexafluorobutyl methacrylate) (PHFBMA) homopolymer was synthesized by reversible addition-fragmentation chain transfer (RAFT)-mediated living radical polymerization in the presence of cyano-2-propyl dithiobenzoate (CPDB) RAFT agent. A block copolymer of PHFBMA-poly(propylene glycol acrylate) (PHFBMA-b-PPGA) with dangling poly(propylene glycol) (PPG) side chains was then synthesized by using CPDB-terminated PHFBMA as a macro-RAFT agent. The amphiphilic properties and self-assembly of PHFBMA-b-PPGA block copolymer in aqueous solution were investigated by dynamic and static light scattering (DLS and SLS) studies, in combination with fluorescence spectroscopy and transmission electron microscopy (TEM). Although PPG shows moderately hydrophilic character, the formation of nanosize polymeric micelles was confirmed by fluorescence and TEM studies. The low value of the critical aggregation concentration exhibited that the tendency for the formation of copolymer aggregates in aqueous solution was very high due to the strong hydrophobicity of the PHFBMA(145)-b-PPGA(33) block copolymer. The combination of DLS and SLS measurements revealed the existence of micellar aggregates in aqueous solution with an association number of approximately 40 +/- 7 for block copolymer micelles. It was also found in TEM observation that there are 40-50 micelles accumulated into one aggregate and these micelles are loosely packed inside the aggregate.

Supply chain solutions to improve the distribution of antiretroviral ...

African Journals Online (AJOL)

Recommendations to address the problems include: Implementing a supply chain planning and design process; improving inventory management and warehousing practices; implementing more effective and reliable distribution and transportation processes; as well as improving supply chain coordination and overall ...

The nature of folded states of globular proteins.

Science.gov (United States)

Honeycutt, J D; Thirumalai, D

1992-06-01

We suggest, using dynamical simulations of a simple heteropolymer modelling the alpha-carbon sequence in a protein, that generically the folded states of globular proteins correspond to statistically well-defined metastable states. This hypothesis, called the metastability hypothesis, states that there are several free energy minima separated by barriers of various heights such that the folded conformations of a polypeptide chain in each of the minima have similar structural characteristics but have different energies from one another. The calculated structural characteristics, such as bond angle and dihedral angle distribution functions, are assumed to arise from only those configurations belonging to a given minimum. The validity of this hypothesis is illustrated by simulations of a continuum model of a heteropolymer whose low temperature state is a well-defined beta-barrel structure. The simulations were done using a molecular dynamics algorithm (referred to as the "noisy" molecular dynamics method) containing both friction and noise terms. It is shown that for this model there are several distinct metastable minima in which the structural features are similar. Several new methods of analyzing fluctuations in structures belonging to two distinct minima are introduced. The most notable one is a dynamic measure of compactness that can in principle provide the time required for maximal compactness to be achieved. The analysis shows that for a given metastable state in which the protein has a well-defined folded structure the transition to a state of higher compactness occurs very slowly, lending credence to the notion that the system encounters a late barrier in the process of folding to the most compact structure. The examination of the fluctuations in the structures near the unfolding----folding transition temperature indicates that the transition state for the unfolding to folding process occurs closer to the folded state.

Morphological changes in polyoxymethylene on heating and cooling

Science.gov (United States)

Guruswamy, K.; Surve, N.; Mathew, R.; Bulakh, N.; Ajithkumar, T.; Rajamohanan, P.; Ratnagiri, R.

2010-03-01

We use modulated DSC, SAXS and solid state NMR to characterize melting, lamellar-level structure and nuclear environments respectively during heating of polyoxymethylene. Two model samples are investigated -- a melt crystallized injection molded sample and a sample obtained by dilute solution crystallization. On heating the molded sample, we observe evidence for pre-melting at temperatures significantly lower than the nominal melting point, and show that this correlates with the melting of thin, imperfect lamellae inserted in-between thicker lamellae. When the temperature is increased from room temperature to around 100^oC, the microstructural changes are essentially reversible on cooling to room temperature. However, on heating to temperatures above 135^oC, melting of the thin lamellae results in irreversible reorganization of the semicrystalline microstructure to form thicker lamellae. In contrast to the behavior of the melt crystallized samples, the solution crystals exhibit no change in the lamellar stacking on heating to 150^oC. With increase in temperature, there is amorphization at the basal surfaces of the lamellae, but the thermal motions of the amorphous chain segments remain highly constrained due to their connectivity to the lamellar surface.

DNA hosted and aligned in aqueous interstitia of a lamellar liquid crystal – a membrane–biomacromolecule interaction model system

KAUST Repository

Carlsson, Nils; Jonsson, Fabian; Wilhelmsson, L. Marcus; Nordé n, Bengt; Å kerman, Bjö rn

2013-01-01

We report that DNA molecules can be intercalated and macroscopically oriented in the aqueous interstitia of a lyotropic lamellar liquid crystal. Using UV-vis linear dichroism and fluorescence spectroscopy we show that double-stranded oligonucleotides (25 base pairs) in the water-octanoate-decanol system remain base-paired in the B conformation and are confined in two dimensions, with the helix axis preferentially parallel to the lipid bilayer surfaces but free to rotate within this plane. The degree of helix confinement and the corresponding 2-D orientation can be improved by decreasing the thickness of the water interstitia via the fraction of water in the ternary mixture. Not surprisingly, the corresponding single-stranded oligonucleotides are not aligned, with their persistence length being short in comparison to the lamellar interstitium thickness. We propose this as a model system for studying interactions of DNA-ligand complexes near a lipid bilayer membrane which we demonstrate by using dye probes that are either covalently attached to one end of the oligonucleotide or reversibly bound by intercalation between the base pairs. Three cationic dyes, all strongly bound by intercalation to DNA when free in solution, are found to not bind to DNA but to prefer the membrane surface. The covalently attached Cy5 also binds to the bilayer while Cy3 tends to end-stack to the oligonucleotide duplex. The orientation of Cy5 parallel to the membrane indicates that electrostatic surface binding predominates over insertion into the hydrophobic interior of the membrane. Anionic and zwitterionic dyes (FAM and ROX) are found to remain randomly oriented in the water between the lipid bilayer surfaces. © The Royal Society of Chemistry.

Stability of a family of travelling wave solutions in a feedforward chain of phase oscillators

International Nuclear Information System (INIS)

Lanford, O E III; Mintchev, S M

2015-01-01

Travelling waves are an important class of signal propagation phenomena in extended systems with a preferred direction of information flow. We study the generation of travelling waves in unidirectional chains of coupled oscillators communicating via a phase-dependent pulse-response interaction borrowed from mathematical neuroscience. Within the context of such systems, we develop a widely applicable, jointly numerical and analytical methodology for deducing existence and stability of periodic travelling waves. We provide careful numerical studies that support the existence of a periodic travelling wave solution as well as the asymptotic relaxation of a single oscillator to the wave when it is forced with the wave profile. Using this evidence as an assumption, we analytically prove global stability of waves in the infinite chain, with respect to initial perturbations of downstream sites. This rigorous stability result suggests that asymptotic relaxation to the travelling wave occurs even when the forcing is perturbed from the wave profile, a property of the motivating system that is supported by previous work as well as the convergence of the more sophisticated numerical algorithm that we propose in order to compute a high-precision approximation to the solution. We provide additional numerical studies that show that the wave is part of a one-parameter family, and we illustrate the structural robustness of this family with respect to changes in the coupling strength. (paper)

Structural evolution of Ni-20Cr alloy during ball milling of elemental powders

International Nuclear Information System (INIS)

Lopez B, I.; Trapaga M, L. G.; Martinez F, E.; Zoz, H.

2011-01-01

The ball milling (B M) of blended Ni and Cr elemental powders was carried out in a Simoloyer performing on high-energy scale mode at maximum production to obtain a nano structured Ni-20Cr alloy. The phase transformations and structural changes occurring during mechanical alloying were investigated by X-ray diffraction (XRD) and optical microscopy (Om). A gradual solid solubility of Cr and the subsequent formation of crystalline metastable solid solutions described in terms of the Avrami-Ero fe ev kinetics model were calculated. The XRD analysis of the structure indicates that cumulative lattice strain contributes to the driving force for solid solution between Ni and Cr during B M. Microstructure evolution has shown, additionally to the lamellar length refinement commonly observed, the folding of lamellae in the final processing stage. Om observations revealed that the lamellar spacing of Ni rich zones reaches a steady value near 500 nm and almost disappears after 30 h of milling. (Author)

Structural evolution of Ni-20Cr alloy during ball milling of elemental powders

Energy Technology Data Exchange (ETDEWEB)

Lopez B, I.; Trapaga M, L. G. [IPN, Centro de Investigacion y de Estudios Avanzados, Unidad Queretaro, Libramiento Norponiente No. 2000, Juriquilla, 76230 Queretaro (Mexico); Martinez F, E. [Centro de Investigacion e Innovacion Tecnologica, Cerrada de Cecati s/n, Col. Santa Catarina Azcapotzalco, 02250 Mexico D. F. (Mexico); Zoz, H., E-mail: israelbaez@gmail.co [Zoz GmbH, D-57482, Wenden (Germany)

2011-07-01

The ball milling (B M) of blended Ni and Cr elemental powders was carried out in a Simoloyer performing on high-energy scale mode at maximum production to obtain a nano structured Ni-20Cr alloy. The phase transformations and structural changes occurring during mechanical alloying were investigated by X-ray diffraction (XRD) and optical microscopy (Om). A gradual solid solubility of Cr and the subsequent formation of crystalline metastable solid solutions described in terms of the Avrami-Ero fe ev kinetics model were calculated. The XRD analysis of the structure indicates that cumulative lattice strain contributes to the driving force for solid solution between Ni and Cr during B M. Microstructure evolution has shown, additionally to the lamellar length refinement commonly observed, the folding of lamellae in the final processing stage. Om observations revealed that the lamellar spacing of Ni rich zones reaches a steady value near 500 nm and almost disappears after 30 h of milling. (Author)

Functionalization of lamellar molybdenum disulphide nanocomposite with gold nanoparticles

International Nuclear Information System (INIS)

Lavayen, V.; O'Dwyer, C.; Ana, M.A. Santa; Mirabal, N.; Benavente, E.; Cardenas, G.; Gonzalez, G.; Torres, C.M. Sotomayor

2007-01-01

This work explores the functionalization of an organic-inorganic MoS 2 lamellar compound, prepared by a chemical liquid deposition method (CLD), that has an interlamellar distance of ∼5.2 nm, using clusters of gold nanoparticles. The gold nanoparticles have a mean diameter of 1.2 nm, a stability of ∼85 days, and a zeta potential measured to be ζ -6.8 mV (solid). The nanoparticles are localized in the hydrophilic zones, defined by the presence of amine groups of the surfactant between the lamella of MoS 2 . SEM, TEM, EDAX and electron diffraction provide conclusive evidence of the interlamellar insertion of the gold nanoparticles in the MoS 2

Functionalization of lamellar molybdenum disulphide nanocomposite with gold nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Lavayen, V. [Tyndall National Institute, University College Cork, Lee Maltings, Prospect Row, Cork (Ireland) and Department of Chemistry, Faculty of Sciences, Universidad de Chile, P.O. Box 653, Santiago (Chile)]. E-mail: vlavayen@tyndall.ie; O' Dwyer, C. [Tyndall National Institute, University College Cork, Lee Maltings, Prospect Row, Cork (Ireland); Ana, M.A. Santa [Department of Chemistry, Faculty of Sciences, Universidad de Chile, P.O. Box 653, Santiago (Chile); Mirabal, N. [Department of Chemistry, Faculty of Sciences, Universidad de Chile, P.O. Box 653, Santiago (Chile); Benavente, E. [Department of Chemistry, Universidad Tecnologica Metropolitana, P.O. Box 9845, Santiago (Chile); Cardenas, G. [Department of Polymers, Faculty of Chemistry Science, Universidad de Concepcion, P.O. Box 160-C, Concepcion (Chile); Gonzalez, G. [Department of Chemistry, Faculty of Sciences, Universidad de Chile, P.O. Box 653, Santiago (Chile); Torres, C.M. Sotomayor [Tyndall National Institute, University College Cork, Lee Maltings, Prospect Row, Cork (Ireland)

2007-01-30

This work explores the functionalization of an organic-inorganic MoS{sub 2} lamellar compound, prepared by a chemical liquid deposition method (CLD), that has an interlamellar distance of {approx}5.2 nm, using clusters of gold nanoparticles. The gold nanoparticles have a mean diameter of 1.2 nm, a stability of {approx}85 days, and a zeta potential measured to be {zeta} -6.8 mV (solid). The nanoparticles are localized in the hydrophilic zones, defined by the presence of amine groups of the surfactant between the lamella of MoS{sub 2}. SEM, TEM, EDAX and electron diffraction provide conclusive evidence of the interlamellar insertion of the gold nanoparticles in the MoS{sub 2}.

A Decision Support System (DSS to Select the Premier Fuel to Develop in the Value Chain of Natural Gas

Directory of Open Access Journals (Sweden)

Ahmad Mousaei

2015-07-01

Full Text Available A value chain is a series of events that takes a raw material and with each step adds value to it. Global interest in the application of natural gas (NG in production and transportation has grown dramatically, representing a long-term, low-cost, domestic, and secure alternative to petroleum-based fuels. Many technological solutions are currently considered on the market or in development, which address the challenge and opportunity of NG. In this paper, a decision support system (DSS is introduced for selecting the best fuel to develop in the value chain of NG through four options, namely compressed NG (CNG, liquefied NG (LNG, dimethyl ether (DME, and gas-to-liquids (GTL. The DSS includes a model which uses the technique for order performance by similarity to ideal solution (TOPSIS to select the best fuel in the value chain of NG based on the attributes such as market situations, technology availability, and transportation infrastructure. The model recommends some key guidelines for two branches of countries, i.e. those which have NG resources and the others. We believe that applying the proposed DSS helps the oil and gas/energy ministries in a most effective and productive manner dealing with the complicated fuel-related production and transportation decision-making situations.

Surface defects on the Gd{sub 2}Zr{sub 2}O{sub 7} oxide films grown on textured NiW technical substrates by chemical solution method

Energy Technology Data Exchange (ETDEWEB)

Zhao, Y., E-mail: yuezhao@sjtu.edu.cn [School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, 200240 Shanghai (China); Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde (Denmark); Opata, Yuri A. [Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde (Denmark); Wu, W. [School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, 200240 Shanghai (China); Grivel, J.C. [Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde (Denmark)

2017-02-15

Epitaxial growth of oxide thin films has attracted much interest because of their broad applications in various fields. In this study, we investigated the microstructure of textured Gd{sub 2}Zr{sub 2}O{sub 7} films grown on (001)〈100〉 orientated NiW alloy substrates by a chemical solution deposition (CSD) method. The aging effect of precursor solution on defect formation was thoroughly investigated. A slight difference was observed between the as-obtained and aged precursor solutions with respect to the phase purity and global texture of films prepared using these solutions. However, the surface morphologies are different, i.e., some regular-shaped regions (mainly hexagonal or dodecagonal) were observed on the film prepared using the as-obtained precursor, whereas the film prepared using the aged precursor exhibits a homogeneous structure. Electron backscatter diffraction and scanning electron microscopy analyses showed that the Gd{sub 2}Zr{sub 2}O{sub 7} grains present within the regular-shaped regions are polycrystalline, whereas those present in the surrounding are epitaxial. Some polycrystalline regions ranging from several micrometers to several tens of micrometers grew across the NiW grain boundaries underneath. To understand this phenomenon, the properties of the precursors and corresponding xerogel were studied by Fourier transform infrared spectroscopy and coupled thermogravimetry/differential thermal analysis. The results showed that both the solutions mainly contain small Gd−Zr−O clusters obtained by the reaction of zirconium acetylacetonate with propionic acid during the precursor synthesis. The regular-shaped regions were probably formed by large Gd−Zr−O frameworks with a metastable structure in the solution with limited aging time. This study demonstrates the importance of the precise control of chemical reaction path to enhance the stability and homogeneity of the precursors of the CSD route. - Highlights: •We investigate microstructure

Self-folding micropatterned polymeric containers.

Science.gov (United States)

Azam, Anum; Laflin, Kate E; Jamal, Mustapha; Fernandes, Rohan; Gracias, David H

2011-02-01

We demonstrate self-folding of precisely patterned, optically transparent, all-polymeric containers and describe their utility in mammalian cell and microorganism encapsulation and culture. The polyhedral containers, with SU-8 faces and biodegradable polycaprolactone (PCL) hinges, spontaneously assembled on heating. Self-folding was driven by a minimization of surface area of the liquefying PCL hinges within lithographically patterned two-dimensional (2D) templates. The strategy allowed for the fabrication of containers with variable polyhedral shapes, sizes and precisely defined porosities in all three dimensions. We provide proof-of-concept for the use of these polymeric containers as encapsulants for beads, chemicals, mammalian cells and bacteria. We also compare accelerated hinge degradation rates in alkaline solutions of varying pH. These optically transparent containers resemble three-dimensional (3D) micro-Petri dishes and can be utilized to sustain, monitor and deliver living biological components.

Effects of molecular and lattice structure on the thermal behaviours of some long chain length potassium(I) n-alkanoates

Science.gov (United States)

Nelson, Peter N.; Ellis, Henry A.; Taylor, Richard A.

2014-01-01

Lattice structures and thermal behaviours for some long chain potassium carboxylates (nc = 8-18, inclusive) are investigated using Fourier Transform Infrared spectroscopy, X-ray Powder Diffraction, Solid State spin decoupled 13C NMR spectroscopy, Differential Scanning Calorimetry and Thermogravimetry. The measurements show that the carboxyl groups are coordinated to potassium atoms via asymmetric chelating bidentate bonding, with extensive carboxyl intermolecular interactions to yield tetrahedral metal centers, irrespective of chain length. Furthermore, the hydrocarbon chains are crystallized in the fully extended all-trans configuration and are arranged as non-overlapping lamellar bilayer structures with closely packed methyl groups from opposite layers. Additionally, odd-even alternation, observed in density and methyl group chemical shift, is ascribed to the relative vertical distances between layers in the bilayer, that are not in the same plane. Therefore, for even chain homologues, where this distances is less than for odd chain adducts, more intimate packing is indicated. The phase sequences for all compounds show several reversible crystal-crystal transition associated with kinetically controlled gauche-trans isomerism of the polymethylene chains which undergo incomplete fusion when heated to the melt. The compounds degrade above 785 K to yield carbon dioxide, water, potassium oxide and an alkene.

Effect of the Molecular Weight of AB Diblock Copolymers on the Lamellar Orientation in Thin Films

DEFF Research Database (Denmark)

Potemkin, Igor I.; Busch, Peter; Smilgies, Detlef-M

2007-01-01

We propose a theoretical explanation of the parallel and perpendicular lamellar orientations in free surface films of symmetric polystyrene-block-polybutadiene diblock copolymers on silicon substrates (with a native SiOx layer). Two approaches are developed: A correction to the strong segregation...

Impaired folding and subunit assembly as disease mechanism

DEFF Research Database (Denmark)

Bross, P; Andresen, B S; Gregersen, N

1998-01-01

folding is a common effect of missense mutations occurring in genetic diseases, (ii) increasing the level of available chaperones may augment the level of functional mutant protein in vivo, and (iii) one mutation may have multiple effects. The interplay between the chaperones assisting folding......Rapid progress in DNA technology has entailed the possibility of readily detecting mutations in disease genes. In contrast to this, techniques to characterize the effects of mutations are still very time consuming. It has turned out that many of the mutations detected in disease genes are missense...... mutations. Characterization of the effect of these mutations is particularly important in order to establish that they are disease causing and to estimate their severity. We use the experiences with investigation of medium-chain acyl-CoA dehydrogenase deficiency as an example to illustrate that (i) impaired...

Martingales and Markov chains solved exercises and elements of theory

CERN Document Server

Baldi, Paolo; Priouret, Pierre

2002-01-01

CONDITIONAL EXPECTATIONSIntroductionDefinition and First PropertiesConditional Expectations and Conditional LawsExercisesSolutionsSTOCHASTIC PROCESSESGeneral FactsStopping TimesExercisesSolutionsMARTINGALESFirst DefinitionsFirst PropertiesThe Stopping TheoremMaximal InequalitiesSquare Integral MartingalesConvergence TheoremsRegular MartingalesExercisesProblemsSolutionsMARKOV CHAINSTransition Matrices, Markov ChainsConstruction and ExistenceComputations on the Canonical ChainPotential OperatorsPassage ProblemsRecurrence, TransienceRecurrent Irreducible ChainsPeriodicityExercisesProblemsSolution

Solvent-Exposed Salt Bridges Influence the Kinetics of α-Helix Folding and Unfolding.

Science.gov (United States)

Meuzelaar, Heleen; Tros, Martijn; Huerta-Viga, Adriana; van Dijk, Chris N; Vreede, Jocelyne; Woutersen, Sander

2014-03-06

Salt bridges are known to play an essential role in the thermodynamic stability of the folded conformation of many proteins, but their influence on the kinetics of folding remains largely unknown. Here, we investigate the effect of Glu-Arg salt bridges on the kinetics of α-helix folding using temperature-jump transient-infrared spectroscopy and steady-state UV circular dichroism. We find that geometrically optimized salt bridges (Glu - and Arg + are spaced four peptide units apart, and the Glu/Arg order is such that the side-chain rotameric preferences favor salt-bridge formation) significantly speed up folding and slow down unfolding, whereas salt bridges with unfavorable geometry slow down folding and slightly speed up unfolding. Our observations suggest a possible explanation for the surprising fact that many biologically active proteins contain salt bridges that do not stabilize the native conformation: these salt bridges might have a kinetic rather than a thermodynamic function.

Introducing the Levinthal's Protein Folding Paradox and Its Solution

Science.gov (United States)

Martínez, Leandro

2014-01-01

The protein folding (Levinthal's) paradox states that it would not be possible in a physically meaningful time to a protein to reach the native (functional) conformation by a random search of the enormously large number of possible structures. This paradox has been solved: it was shown that small biases toward the native conformation result…

Clinical observation of corneal lamellar debridement combined with sutureless amniotic membrane transplantation for the treatment of superficial fungal keratitis

Directory of Open Access Journals (Sweden)

Huang Zhang

2014-09-01

Full Text Available AIM:To evaluate the clinical efficacy of corneal lamellar debridement combined with sutureless amniotic membrane transplantation for the treatment of superficial fungal keratitis.METHODS:Totally 22 cases(22 eyeswith superficial fungal keratitis were referred to our hospital from April 2012 to October 2013. The patients with persistent cornea ulcer after treatment of local and systemic antifungal drugs underwent corneal lamellar debridement combined with sutureless amniotic membrane transplantation, and the recipient bed was covered with an amniotic membrane using fibrin sealant during the operation. All patients were still given topical antifungal therapy for 1-2mo after operation. The followed-up time was 3mo or above. We observed the corneal healing and amniotic membrane adhesion by split lamp microscope, and investigated the transformation of amniotic membrane and fungal infection recurrence with confocal microscope. RESULTS: Corneal edema and anterior chamber reaction of 21 patients disappeared gradually, and no amniotic membrane graft dissolved and shed off within 1-2wk postoperatively. Two weeks after operation, the graft integrated into the corneal and the corneal wounds' thickness increased gradually, the corneal epithelium reconstructed and corneas became clear. Four weeks after operation, the corneal scarring developed gradually and fluorescence staining was negative. Nineteen cases' amniotic membranes that adhered with the cornea dissolved 4wk after operation. There were different degrees of corneal nebula or macula remained 3mo postoperatively. All patients' vision improved in varying degrees, except in 1 case with fungal keratitis who had been cured by lamellar keratoplasty.CONCLUSION:Corneal lamellar debridement combined with sutureless amniotic membrane transplantation can effectively remove the foci of inflammation, improve the local efficacy, shorten the operation time, relieve the postoperative reaction, and promote cornea

Phi-value analysis of apo-azurin folding: comparison between experiment and theory.

Science.gov (United States)

Zong, Chenghang; Wilson, Corey J; Shen, Tongye; Wolynes, Peter G; Wittung-Stafshede, Pernilla

2006-05-23

Pseudomonas aeruginosa azurin is a 128-residue beta-sandwich metalloprotein; in vitro kinetic experiments have shown that it folds in a two-state reaction. Here, we used a variational free energy functional to calculate the characteristics of the transition state ensemble (TSE) for folding of the apo-form of P. aeruginosa azurin and investigate how it responds to thermal and mutational changes. The variational method directly yields predicted chevron plots for wild-type and mutant apo-forms of azurin. In parallel, we performed in vitro kinetic-folding experiments on the same set of azurin variants using chemical perturbation. Like the wild-type protein, all apo-variants fold in apparent two-state reactions both in calculations and in stopped-flow mixing experiments. Comparisons of phi (phi) values determined from the experimental and theoretical chevron parameters reveal an excellent agreement for most positions, indicating a polarized, highly structured TSE for folding of P. aeruginosa apo-azurin. We also demonstrate that careful analysis of side-chain interactions is necessary for appropriate theoretical description of core mutants.

A BPMN solution for chaining OGC services to quality assure location-based crowdsourced data

Science.gov (United States)

Meek, Sam; Jackson, Mike; Leibovici, Didier G.

2016-02-01

The Open Geospatial Consortium (OGC) Web Processing Service (WPS) standard enables access to a centralized repository of processes and services from compliant clients. A crucial part of the standard includes the provision to chain disparate processes and services to form a reusable workflow. To date this has been realized by methods such as embedding XML requests, using Business Process Execution Language (BPEL) engines and other external orchestration engines. Although these allow the user to define tasks and data artifacts as web services, they are often considered inflexible and complicated, often due to vendor specific solutions and inaccessible documentation. This paper introduces a new method of flexible service chaining using the standard Business Process Markup Notation (BPMN). A prototype system has been developed upon an existing open source BPMN suite to illustrate the advantages of the approach. The motivation for the software design is qualification of crowdsourced data for use in policy-making. The software is tested as part of a project that seeks to qualify, assure, and add value to crowdsourced data in a biological monitoring use case.

The defect passivation effect of hydrogen on the optical properties of solution-grown ZnO nanorods

Energy Technology Data Exchange (ETDEWEB)

Urgessa, Z.N., E-mail: zelalem.urgessa@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Mbulanga, C.M.; Tankio Djiokap, S.R.; Botha, J.R. [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Duvenhage, M.M.; Swart, H.C. [Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein ZA9300 (South Africa)

2016-01-01

In this study the effect of annealing environment on both low temperature and room temperature photoluminescence (PL) characteristics of ZnO nanorods, grown in solution, is presented. Particular attention is given to the effect of hydrogen defect passivation and its PL related line. It is shown that, irrespective of annealing ambient, an optimum annealing temperature of 300 °C suppresses the defect related emission and significantly improves the UV emission. By considering the stability of hydrogen impurities, the observed results in the PL spectra are analyzed. There is an observed asymmetric broadening on the low energy side of the bound exciton luminescence in the low temperature annealed samples which is explained by a high concentration of ionized impurities related to hydrogen. This has been attributed primarily to the conversion of hydrogen molecule to substitutional hydrogen on the oxygen site (H{sub O}) as a result of annealing.

The defect passivation effect of hydrogen on the optical properties of solution-grown ZnO nanorods

International Nuclear Information System (INIS)

Urgessa, Z.N.; Mbulanga, C.M.; Tankio Djiokap, S.R.; Botha, J.R.; Duvenhage, M.M.; Swart, H.C.

2016-01-01

In this study the effect of annealing environment on both low temperature and room temperature photoluminescence (PL) characteristics of ZnO nanorods, grown in solution, is presented. Particular attention is given to the effect of hydrogen defect passivation and its PL related line. It is shown that, irrespective of annealing ambient, an optimum annealing temperature of 300 °C suppresses the defect related emission and significantly improves the UV emission. By considering the stability of hydrogen impurities, the observed results in the PL spectra are analyzed. There is an observed asymmetric broadening on the low energy side of the bound exciton luminescence in the low temperature annealed samples which is explained by a high concentration of ionized impurities related to hydrogen. This has been attributed primarily to the conversion of hydrogen molecule to substitutional hydrogen on the oxygen site (H_O) as a result of annealing.

Kinetics of Internal-Loop Formation in Polypeptide Chains: A Simulation Study

Science.gov (United States)

Doucet, Dana; Roitberg, Adrian; Hagen, Stephen J.

2007-01-01

The speed of simple diffusional motions, such as the formation of loops in the polypeptide chain, places one physical limit on the speed of protein folding. Many experimental studies have explored the kinetics of formation of end-to-end loops in polypeptide chains; however, protein folding more often requires the formation of contacts between interior points on the chain. One expects that, for loops of fixed contour length, interior loops will form more slowly than end-to-end loops, owing to the additional excluded volume associated with the “tails”. We estimate the magnitude of this effect by generating ensembles of randomly coiled, freely jointed chains, and then using the theory of Szabo, Schulten, and Schulten to calculate the corresponding contact formation rates for these ensembles. Adding just a few residues, to convert an end-to-end loop to an internal loop, sharply decreases the contact rate. Surprisingly, the relative change in rate increases for a longer loop; sufficiently long tails, however, actually reverse the effect and accelerate loop formation slightly. Our results show that excluded volume effects in real, full-length polypeptides may cause the rates of loop formation during folding to depart significantly from the values derived from recent loop-formation experiments on short peptides. PMID:17208979

Large area, soft crystalline thin films of N,N' ,N'' -trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice

DEFF Research Database (Denmark)

Just Sørensen, Thomas; Hildebrandt, Christoffer B.; Elm, Jonas

2012-01-01

techniques confirm that the 15–30 nm thick films maintain the lamellar structure of the bulk crystals, are flat on macroscopic length scales, and are completely ordered relative to the substrate. The triazatriangulenium molecules are electroactive dyes, and in the highly anisotropic polycrystalline thin film......N,N' ,N'' -Trialkyltriazatriangulenium (R-TATA+) tetrafluoroborate (BF4) salts form highly ordered thin films directly when spin-cast onto rotating substrates. The homogeneous and crystalline thin films show macroscopic order over centimetres. The crystal structures of the R-TATA$BF4 salts...... are investigated and compared for the propyl, 3-methylpentyl and octyl derivatives. In all cases the molecules pack in hexagonally ordered bilayers, with segregation of the ionic groups and the alkyl chains. This is a rare packing motif with the rigid discotic TATA+ cores organized co-planarly in sheets separated...

The lamellar period in symmetric diblock copolymer thin films studied by neutron reflectivity and AFM

DEFF Research Database (Denmark)

Gadegaard, N.; Almdal, K.; Larsen, N.B.

1999-01-01

The lamellar structure of a symmetric diblock copolymer was studied as a function of temperature. We used dPEP-PDMS with a molecular weight of 8.3 kg/mol as model system. The polymer was dissolved in chloroform and spin-casted on silicon wafers into thin uniform films. The degree and direction...

RNAslider: a faster engine for consecutive windows folding and its application to the analysis of genomic folding asymmetry.

Science.gov (United States)

Horesh, Yair; Wexler, Ydo; Lebenthal, Ilana; Ziv-Ukelson, Michal; Unger, Ron

2009-03-04

Scanning large genomes with a sliding window in search of locally stable RNA structures is a well motivated problem in bioinformatics. Given a predefined window size L and an RNA sequence S of size N (L free energy (MFE) for the folding of each of the L-sized substrings of S. The consecutive windows folding problem can be naively solved in O(NL3) by applying any of the classical cubic-time RNA folding algorithms to each of the N-L windows of size L. Recently an O(NL2) solution for this problem has been described. Here, we describe and implement an O(NLpsi(L)) engine for the consecutive windows folding problem, where psi(L) is shown to converge to O(1) under the assumption of a standard probabilistic polymer folding model, yielding an O(L) speedup which is experimentally confirmed. Using this tool, we note an intriguing directionality (5'-3' vs. 3'-5') folding bias, i.e. that the minimal free energy (MFE) of folding is higher in the native direction of the DNA than in the reverse direction of various genomic regions in several organisms including regions of the genomes that do not encode proteins or ncRNA. This bias largely emerges from the genomic dinucleotide bias which affects the MFE, however we see some variations in the folding bias in the different genomic regions when normalized to the dinucleotide bias. We also present results from calculating the MFE landscape of a mouse chromosome 1, characterizing the MFE of the long ncRNA molecules that reside in this chromosome. The efficient consecutive windows folding engine described in this paper allows for genome wide scans for ncRNA molecules as well as large-scale statistics. This is implemented here as a software tool, called RNAslider, and applied to the scanning of long chromosomes, leading to the observation of features that are visible only on a large scale.

Spectral phasor analysis of LAURDAN fluorescence in live A549 lung cells to study the hydration and time evolution of intracellular lamellar body-like structures

DEFF Research Database (Denmark)

Malacrida, Leonel; Astrada, Soledad; Briva, Arturo

2016-01-01

Using LAURDAN spectral imaging and spectral phasor analysis we concurrently studied the growth and hydration state of subcellular organelles (lamellar body-like, LB-like) from live A549 lung cancer cells at different post-confluence days. Our results reveal a time dependent two-step process...... governing the size and hydration of these intracellular LB-like structures. Specifically, a first step (days 1 to 7) is characterized by an increase in their size, followed by a second one (days 7 to 14) where the organelles display a decrease in their global hydration properties. Interestingly, our results...... also show that their hydration properties significantly differ from those observed in well-characterized artificial lamellar model membranes, challenging the notion that a pure lamellar membrane organization is present in these organelles at intracellular conditions. Finally, these LB-like structures...

Gauge Theory and Calibrated Geometry for Calabi-Yau 4-folds

Science.gov (United States)

Cao, Yalong

This thesis is devoted to the study of gauge theory and calibrated geometry for Calabi-Yau 4-folds. More specifically, our study is along the following five directions. 1. We develop Donaldson-Thomas type theory on Calabi-Yau 4-folds. Let X be a compact complex Calabi-Yau 4-fold. We define Donaldson-Thomas type deformation invariants (DT4 invariants) by studying moduli spaces of solutions to the Donaldson- Thomas equations on X. We also study sheaves counting problems on local Calabi-Yau 4-folds. We relate DT4 invariants of KY to the Donaldson-Thomas invariants of the associated Fano 3-fold Y. When the Calabi-Yau 4-fold is toric, we adapt the virtual localization formula to define the corresponding equivariant DT4 invariants. We also discuss the non-commutative version of DT4 invariants for quivers with relations. Finally, we compute DT4 invariants for certain Calabi-Yau 4-folds when moduli spaces are smooth and find a DT 4/GW correspondence for X. Examples of wall-crossing phenomenon in DT4 theory are also given. 2. Given a complex 4-fold X with an (Calabi-Yau 3-fold) anti-canonical divisor Y, we study relative Donaldson-Thomas invariants for this pair, which are elements in the Donaldson-Thomas cohomologies of Y. We also discuss gluing formulas which relate relative invariants and DT4 invariants for Calabi-Yau 4-folds. 3. We study orientability issues of moduli spaces from gauge theories on Calabi-Yau manifolds. Our results generalize and strengthen those for Donaldson-Thomas theory on Calabi-Yau manifolds of dimensions 3 and 4. We also prove a corresponding result in the relative situation which is relevant to the gluing formula in DT theory. 4. Motivated by Strominger-Yau-Zaslow's mirror symmetry proposal and Kontsevich's homological mirror symmetry conjecture, we study mirror phenomena (in A-model) of certain results from Donaldson-Thomas theory for Calabi-Yau 4-folds. More precisely, we study calibrated geometry in the sense of Harvey-Lawson and Lagrangian

Exact Markov chain and approximate diffusion solution for haploid genetic drift with one-way mutation.

Science.gov (United States)

Hössjer, Ola; Tyvand, Peder A; Miloh, Touvia

2016-02-01

The classical Kimura solution of the diffusion equation is investigated for a haploid random mating (Wright-Fisher) model, with one-way mutations and initial-value specified by the founder population. The validity of the transient diffusion solution is checked by exact Markov chain computations, using a Jordan decomposition of the transition matrix. The conclusion is that the one-way diffusion model mostly works well, although the rate of convergence depends on the initial allele frequency and the mutation rate. The diffusion approximation is poor for mutation rates so low that the non-fixation boundary is regular. When this happens we perturb the diffusion solution around the non-fixation boundary and obtain a more accurate approximation that takes quasi-fixation of the mutant allele into account. The main application is to quantify how fast a specific genetic variant of the infinite alleles model is lost. We also discuss extensions of the quasi-fixation approach to other models with small mutation rates. Copyright © 2015 Elsevier Inc. All rights reserved.

Self-consistent field theoretic simulations of amphiphilic triblock copolymer solutions: Polymer concentration and chain length effects

Directory of Open Access Journals (Sweden)

X.-G. Han

2014-06-01

Full Text Available Using the self-consistent field lattice model, polymer concentration φP and chain length N (keeping the length ratio of hydrophobic to hydrophilic blocks constant the effects on temperature-dependent behavior of micelles are studied, in amphiphilic symmetric ABA triblock copolymer solutions. When chain length is increased, at fixed φP, micelles occur at higher temperature. The variations of average volume fraction of stickers φcos and the lattice site numbers Ncols at the micellar cores with temperature are dependent on N and φP, which demonstrates that the aggregation of micelles depends on N and φP. Moreover, when φP is increased, firstly a peak appears on the curve of specific heat CV for unimer-micelle transition, and then in addition a primary peak, the secondary peak, which results from the remicellization, is observed on the curve of CV. For a long chain, in intermediate and high concentration regimes, the shape of specific heat peak markedly changes, and the peak tends to be a more broad peak. Finally, the aggregation behavior of micelles is explained by the aggregation way of amphiphilic triblock copolymer. The obtained results are helpful in understanding the micellar aggregation process.

Retraction Note to: Ultra-High Strength and Ductile Lamellar-Structured Powder Metallurgy Binary Ti-Ta Alloys

Science.gov (United States)

Liu, Yong; Xu, Shenghang; Wang, Xin; Li, Kaiyang; Liu, Bin; Wu, Hong; Tang, Huiping

2018-05-01

The editors and authors have retracted the article, "Ultra-High Strength and Ductile Lamellar-Structured Powder Metallurgy Binary Ti-Ta Alloys" by Yong Liu, Shenghang Xu, Xin Wang, Kaiyang Li, Bin Liu, Hong Wu, and Huiping Tang (https://doi.org/10.1007/s11837-015-1801-1).

Fusion-activated Ca(2+ entry: an "active zone" of elevated Ca(2+ during the postfusion stage of lamellar body exocytosis in rat type II pneumocytes.

Directory of Open Access Journals (Sweden)

Pika Miklavc

2010-06-01

Full Text Available Ca(2+ is essential for vesicle fusion with the plasma membrane in virtually all types of regulated exocytoses. However, in contrast to the well-known effects of a high cytoplasmic Ca(2+ concentration ([Ca(2+](c in the prefusion phase, the occurrence and significance of Ca(2+ signals in the postfusion phase have not been described before.We studied isolated rat alveolar type II cells using previously developed imaging techniques. These cells release pulmonary surfactant, a complex of lipids and proteins, from secretory vesicles (lamellar bodies in an exceptionally slow, Ca(2+- and actin-dependent process. Measurements of fusion pore formation by darkfield scattered light intensity decrease or FM 1-43 fluorescence intensity increase were combined with analysis of [Ca(2+](c by ratiometric Fura-2 or Fluo-4 fluorescence measurements. We found that the majority of single lamellar body fusion events were followed by a transient (t(1/2 of decay = 3.2 s rise of localized [Ca(2+](c originating at the site of lamellar body fusion. [Ca(2+](c increase followed with a delay of approximately 0.2-0.5 s (method-dependent and in the majority of cases this signal propagated throughout the cell (at approximately 10 microm/s. Removal of Ca(2+ from, or addition of Ni(2+ to the extracellular solution, strongly inhibited these [Ca(2+](c transients, whereas Ca(2+ store depletion with thapsigargin had no effect. Actin-GFP fluorescence around fused LBs increased several seconds after the rise of [Ca(2+](c. Both effects were reduced by the non-specific Ca(2+ channel blocker SKF96365.Fusion-activated Ca(2+entry (FACE is a new mechanism that leads to [Ca(2+](c transients at the site of vesicle fusion. Substantial evidence from this and previous studies indicates that fusion-activated Ca(2+ entry enhances localized surfactant release from type II cells, but it may also play a role for compensatory endocytosis and other cellular functions.

Adsorption of and acidic dye from aqueous solution by surfactant modified bentonite

International Nuclear Information System (INIS)

Bouberka, Z.; Khenifi, A.; Belkaid, N.; Ait Mahamed, H.; Haddou, B.; Derriche, Z.

2009-01-01

The aim of this paper is to study the adsorption of an acidic dye S. Y. 4 GL (i.e: Supranol yellow 4GL) from aqueous solution on inorgano-organo clay. Bentonite is a kind of natural clay with good exchanging ability. By exchanging its inter lamellar cations with Cetyltrimethylammonium bromide (CTAB) and hydroxy aluminic or chromium poly cations, the properties of natural bentonite can be greatly improved. (Author)

Simultaneous topography-guided PRK followed by corneal collagen cross-linking after lamellar keratoplasty for keratoconus

Directory of Open Access Journals (Sweden)

Spadea L

2012-11-01

Full Text Available Leopoldo Spadea,1 Marino Paroli21University of L’Aquila, Department of Biotechnological and Applied Clinical Sciences, Eye Clinic, L’Aquila, 2La Sapienza University, Department of Biotechnology and Medical-Surgical Sciences, Latina, ItalyBackground: The purpose of this paper is to report the results of using combined treatment of customized excimer laser-assisted photorefractive keratectomy (PRK and prophylactic corneal collagen crosslinking (CXL for residual refractive error in a group of patients who had previously undergone lamellar keratoplasty for keratoconus.Methods: The study included 14 eyes from 14 patients who had originally been treated for keratoconus in one eye by excimer laser-assisted lamellar keratoplasty (ELLK, and subsequently presented with residual ametropia (-6.11 D ± 2.48, range -2.50 to -9.50. After a mean 40.1 ± 12.4 months since ELLK they underwent combined simultaneous corneal regularization treatment with topographically guided transepithelial excimer laser PRK (central corneal regularization and corneal CXL induced by riboflavin-ultraviolet A.Results: After a mean 15 ± 6.5 (range 6–24 months, all eyes gained at least one Snellen line of uncorrected distance visual acuity (range 1–10. No patient lost lines of corrected distance visual acuity, and four patients gained three lines of corrected distance visual acuity. Mean manifest refractive spherical equivalent was -0.79 ± 2.09 (range +1 to -3.0 D, and topographic keratometric astigmatism was 5.02 ± 2.93 (range 0.8–8.9 D. All the corneas remained clear (haze < 1.Conclusion: The combination of customized PRK and corneal CXL provided safe and effective results in the management of corneal regularization for refractive purposes after ELLK for keratoconus.Keywords: corneal collagen crosslinking, excimer laser-assisted lamellar keratoplasty, photorefractive keratectomy

Effect of amaranth dye on the growth and properties of conventional and SR method grown KAP single crystals

Science.gov (United States)

Babu Rao, G.; P., Rajesh; Ramasamy, P.

2018-04-01

The 0.1 mol% amaranth added KAP single crystals were grown from aqueous solutions by both slow evaporation solution technique and Sankaranarayanan-Ramasamy method. The single crystal having dimension of 45 mm length and 12 mm diameter was grown with growth rate of 1.5 mm/day using SR method. 87 % transmittance is obtained for SR method grown amaranth added KAP single crystal. The high intense luminescence at 661 nm is obtained from amaranth added conventional and SR method grown KAP single crystal. The amaranth added KAP single crystal possesses good mechanical and laser damage threshold stability.

A numerical strategy for finite element modeling of frictionless asymmetric vocal fold collision.

Science.gov (United States)

Granados, Alba; Misztal, Marek Krzysztof; Brunskog, Jonas; Visseq, Vincent; Erleben, Kenny

2017-02-01

Analysis of voice pathologies may require vocal fold models that include relevant features such as vocal fold asymmetric collision. The present study numerically addresses the problem of frictionless asymmetric collision in a self-sustained three-dimensional continuum model of the vocal folds. Theoretical background and numerical analysis of the finite-element position-based contact model are presented, along with validation. A novel contact detection mechanism capable to detect collision in asymmetric oscillations is developed. The effect of inexact contact constraint enforcement on vocal fold dynamics is examined by different variational methods for inequality constrained minimization problems, namely, the Lagrange multiplier method and the penalty method. In contrast to the penalty solution, which is related to classical spring-like contact forces, numerical examples show that the parameter-independent Lagrange multiplier solution is more robust and accurate in the estimation of dynamical and mechanical features at vocal fold contact. Furthermore, special attention is paid to the temporal integration schemes in relation to the contact problem, the results suggesting an advantage of highly diffusive schemes. Finally, vocal fold contact enforcement is shown to affect asymmetric oscillations. The present model may be adapted to existing vocal fold models, which may contribute to a better understanding of the effect of the nonlinear contact phenomenon on phonation. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Topology of polymer chains under nanoscale confinement.

Science.gov (United States)

Satarifard, Vahid; Heidari, Maziar; Mashaghi, Samaneh; Tans, Sander J; Ejtehadi, Mohammad Reza; Mashaghi, Alireza

2017-08-24

Spatial confinement limits the conformational space accessible to biomolecules but the implications for bimolecular topology are not yet known. Folded linear biopolymers can be seen as molecular circuits formed by intramolecular contacts. The pairwise arrangement of intra-chain contacts can be categorized as parallel, series or cross, and has been identified as a topological property. Using molecular dynamics simulations, we determine the contact order distributions and topological circuits of short semi-flexible linear and ring polymer chains with a persistence length of l p under a spherical confinement of radius R c . At low values of l p /R c , the entropy of the linear chain leads to the formation of independent contacts along the chain and accordingly, increases the fraction of series topology with respect to other topologies. However, at high l p /R c , the fraction of cross and parallel topologies are enhanced in the chain topological circuits with cross becoming predominant. At an intermediate confining regime, we identify a critical value of l p /R c , at which all topological states have equal probability. Confinement thus equalizes the probability of more complex cross and parallel topologies to the level of the more simple, non-cooperative series topology. Moreover, our topology analysis reveals distinct behaviours for ring- and linear polymers under weak confinement; however, we find no difference between ring- and linear polymers under strong confinement. Under weak confinement, ring polymers adopt parallel and series topologies with equal likelihood, while linear polymers show a higher tendency for series arrangement. The radial distribution analysis of the topology reveals a non-uniform effect of confinement on the topology of polymer chains, thereby imposing more pronounced effects on the core region than on the confinement surface. Additionally, our results reveal that over a wide range of confining radii, loops arranged in parallel and cross

CASP10-BCL::Fold efficiently samples topologies of large proteins.

Science.gov (United States)

Heinze, Sten; Putnam, Daniel K; Fischer, Axel W; Kohlmann, Tim; Weiner, Brian E; Meiler, Jens

2015-03-01

During CASP10 in summer 2012, we tested BCL::Fold for prediction of free modeling (FM) and template-based modeling (TBM) targets. BCL::Fold assembles the tertiary structure of a protein from predicted secondary structure elements (SSEs) omitting more flexible loop regions early on. This approach enables the sampling of conformational space for larger proteins with more complex topologies. In preparation of CASP11, we analyzed the quality of CASP10 models throughout the prediction pipeline to understand BCL::Fold's ability to sample the native topology, identify native-like models by scoring and/or clustering approaches, and our ability to add loop regions and side chains to initial SSE-only models. The standout observation is that BCL::Fold sampled topologies with a GDT_TS score > 33% for 12 of 18 and with a topology score > 0.8 for 11 of 18 test cases de novo. Despite the sampling success of BCL::Fold, significant challenges still exist in clustering and loop generation stages of the pipeline. The clustering approach employed for model selection often failed to identify the most native-like assembly of SSEs for further refinement and submission. It was also observed that for some β-strand proteins model refinement failed as β-strands were not properly aligned to form hydrogen bonds removing otherwise accurate models from the pool. Further, BCL::Fold samples frequently non-natural topologies that require loop regions to pass through the center of the protein. © 2015 Wiley Periodicals, Inc.

Flips for 3-folds and 4-folds

CERN Document Server

Corti, Alessio

2007-01-01

This edited collection of chapters, authored by leading experts, provides a complete and essentially self-contained construction of 3-fold and 4-fold klt flips. A large part of the text is a digest of Shokurov's work in the field and a concise, complete and pedagogical proof of the existence of 3-fold flips is presented. The text includes a ten page glossary and is accessible to students and researchers in algebraic geometry.

RETRACTED: Growth behavior and microstructure evolution of ZnO nanorods grown on Si in aqueous solution

Science.gov (United States)

Liou, Sz-Chian; Hsiao, Chi-Sheng; Chen, San-Yuan

2005-02-01

This article has been retracted: please see Elsevier Policy on Article Withdrawal. This article has been retracted at the request of the Editor-in-Chief. Two papers published in the Journal of Crystal Growth are being retracted due to a case of misrepresentation and reuse of data. A reader of the Journal has brought to our attention the reuse of data within two published papers: Growth behavior and microstructure evolution of ZnO nanorods grown on Si in aqueous solution, Sz-Chian Liou, Chi-Sheng Hsiao, San-Yuan Chen, Journal of Crystal Growth 274 (2005) 438-446. Nucleation and growth behavior of well-aligned ZnO nanorods on organic substrates in aqueous solutions, Chin-Ching Lin, San-Yuan Chen, and Syh-Yuh Cheng, Journal of Crystal Growth 283 (2005) 141-146. In these papers the same transmission electron micrograph was used to describe two different experimental situations and results bringing into question the content of these papers. The reuse of data without proper attribution is not acceptable within the scientific publishing community. In the present case, this is compounded by the attribution of the micrograph to a different experimental situation and drawing, as a result, new conclusions from data obtained from different samples. Such behavior undermines the integrity of the scientific publishing endeavor and is not acceptable. The authors are responsible for the content of their papers.

RNAslider: a faster engine for consecutive windows folding and its application to the analysis of genomic folding asymmetry

Directory of Open Access Journals (Sweden)

Ziv-Ukelson Michal

2009-03-01

Full Text Available Abstract Background Scanning large genomes with a sliding window in search of locally stable RNA structures is a well motivated problem in bioinformatics. Given a predefined window size L and an RNA sequence S of size N (L 3 by applying any of the classical cubic-time RNA folding algorithms to each of the N-L windows of size L. Recently an O(NL2 solution for this problem has been described. Results Here, we describe and implement an O(NLψ(L engine for the consecutive windows folding problem, where ψ(L is shown to converge to O(1 under the assumption of a standard probabilistic polymer folding model, yielding an O(L speedup which is experimentally confirmed. Using this tool, we note an intriguing directionality (5'-3' vs. 3'-5' folding bias, i.e. that the minimal free energy (MFE of folding is higher in the native direction of the DNA than in the reverse direction of various genomic regions in several organisms including regions of the genomes that do not encode proteins or ncRNA. This bias largely emerges from the genomic dinucleotide bias which affects the MFE, however we see some variations in the folding bias in the different genomic regions when normalized to the dinucleotide bias. We also present results from calculating the MFE landscape of a mouse chromosome 1, characterizing the MFE of the long ncRNA molecules that reside in this chromosome. Conclusion The efficient consecutive windows folding engine described in this paper allows for genome wide scans for ncRNA molecules as well as large-scale statistics. This is implemented here as a software tool, called RNAslider, and applied to the scanning of long chromosomes, leading to the observation of features that are visible only on a large scale.

50-Fold EQE Improvement up to 6.27% of Solution-Processed All-Inorganic Perovskite CsPbBr3 QLEDs via Surface Ligand Density Control.

Science.gov (United States)

Li, Jianhai; Xu, Leimeng; Wang, Tao; Song, Jizhong; Chen, Jiawei; Xue, Jie; Dong, Yuhui; Cai, Bo; Shan, Qingsong; Han, Boning; Zeng, Haibo

2017-02-01

Solution-processed CsPbBr 3 quantum-dot light-emitting diodes with a 50-fold external quantum efficiency improvement (up to 6.27%) are achieved through balancing surface passivation and carrier injection via ligand density control (treating with hexane/ethyl acetate mixed solvent), which induces the coexistence of high levels of ink stability, photoluminescence quantum yields, thin-film uniformity, and carrier-injection efficiency. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Strain hardening in startup shear of long-chain branched polymer solutions.

Science.gov (United States)

Liu, Gengxin; Cheng, Shiwang; Lee, Hyojoon; Ma, Hongwei; Xu, Hongde; Chang, Taihyun; Quirk, Roderic P; Wang, Shi-Qing

2013-08-09

We show for the first time that entangled polymeric liquids containing long-chain branching can exhibit strain hardening upon startup shear. As the significant long-chain branching impedes chain disentanglement, Gaussian coils between entanglements can deform to reach the finite extensibility limit where the intrachain retraction force exceeds the value expected from the usual conformational entropy loss evaluated based on Gaussian chain statistics. The phenomenon is expected to lead to further theoretical understanding.

A Novel, In-solution Separation of Endogenous Cardiac Sarcomeric Proteins and Identification of Distinct Charged Variants of Regulatory Light Chain*

Science.gov (United States)

Scruggs, Sarah B.; Reisdorph, Rick; Armstrong, Mike L.; Warren, Chad M.; Reisdorph, Nichole; Solaro, R. John; Buttrick, Peter M.

2010-01-01

The molecular conformation of the cardiac myosin motor is modulated by intermolecular interactions among the heavy chain, the light chains, myosin binding protein-C, and titin and is governed by post-translational modifications (PTMs). In-gel digestion followed by LC/MS/MS has classically been applied to identify cardiac sarcomeric PTMs; however, this approach is limited by protein size, pI, and difficulties in peptide extraction. We report a solution-based work flow for global separation of endogenous cardiac sarcomeric proteins with a focus on the regulatory light chain (RLC) in which specific sites of phosphorylation have been unclear. Subcellular fractionation followed by OFFGEL electrophoresis resulted in isolation of endogenous charge variants of sarcomeric proteins, including regulatory and essential light chains, myosin heavy chain, and myosin-binding protein-C of the thick filament. Further purification of RLC using reverse-phase HPLC separation and UV detection enriched for RLC PTMs at the intact protein level and provided a stoichiometric and quantitative assessment of endogenous RLC charge variants. Digestion and subsequent LC/MS/MS unequivocally identified that the endogenous charge variants of cardiac RLC focused in unique OFFGEL electrophoresis fractions were unphosphorylated (78.8%), singly phosphorylated (18.1%), and doubly phosphorylated (3.1%) RLC. The novel aspects of this study are that 1) milligram amounts of endogenous cardiac sarcomeric subproteome were focused with resolution comparable with two-dimensional electrophoresis, 2) separation and quantification of post-translationally modified variants were achieved at the intact protein level, 3) separation of intact high molecular weight thick filament proteins was achieved in solution, and 4) endogenous charge variants of RLC were separated; a novel doubly phosphorylated form was identified in mouse, and singly phosphorylated, singly deamidated, and deamidated/phosphorylated forms were

Titanium carbide nanocube core induced interfacial growth of crystalline polypyrrole/polyvinyl alcohol lamellar shell for wide-temperature range supercapacitors

Science.gov (United States)

Weng, Yu-Ting; Pan, Hsiao-An; Wu, Nae-Lih; Chen, Geroge Zheng

2015-01-01

This is the first investigation on electrically conducting polymers-based supercapacitor electrodes over a wide temperature range, from -18 °C to 60 °C. A high-performance supercapacitor electrode material consisting of TiC nanocube core and conformal crystalline polypyrrole (PPy)/poly-vinyl-alcohol (PVA) lamellar shell has been synthesized by heterogeneous nucleation-induced interfacial crystallization. PPy is induced to crystallize on the negatively charged TiC nanocube surfaces via strong interfacial interactions. In this organic-inorganic hybrid nanocomposite, the long chain PVA enables enhanced cycle life due to improved mechanical properties, and the TiC nanocube not only contributes to electron conduction, but also dictates the PPy morphology/crystallinity for maximizing the charging-discharging performance. The crystalline PPy/PAV layer on the TiC nanocube offers unprecedented high capacity (>350 F g-1-PPy at 300 mV s-1 with ΔV = 1.6 V) and cycling stability in a temperature range from -18 °C to 60 °C. The presented hybrid-filler and interfacial crystallization strategies can be applied to the exploration of new-generation high-power conducting polymer-based supercapacitor materials.

System Approach of Logistic Costs Optimization Solution in Supply Chain

OpenAIRE

Majerčák, Peter; Masárová, Gabriela; Buc, Daniel; Majerčáková, Eva

2013-01-01

This paper is focused on the possibility of using the costs simulation in supply chain, which are on relative high level. Our goal is to determine the costs using logistic costs optimization which must necessarily be used in business activities in the supply chain management. The paper emphasizes the need to perform not isolated optimization in the whole supply chain. Our goal is to compare classic approach, when every part tracks its costs isolated, a try to minimize them, with the system (l...

Effects of knot type in the folding of topologically complex lattice proteins

Science.gov (United States)

Soler, Miguel A.; Nunes, Ana; Faísca, Patrícia F. N.

2014-07-01

The folding properties of a protein whose native structure contains a 52 knot are investigated by means of extensive Monte Carlo simulations of a simple lattice model and compared with those of a 31 knot. A 52 knot embedded in the native structure enhances the kinetic stability of the carrier lattice protein in a way that is clearly more pronounced than in the case of the 31 knot. However, this happens at the expense of a severe loss in folding efficiency, an observation that is consistent with the relative abundance of 31 and 52 knots in the Protein Data Bank. The folding mechanism of the 52 knot shares with that of the 31 knot the occurrence of a threading movement of the chain terminus that lays closer to the knotted core. However, co-concomitant knotting and folding in the 52 knot occurs with negligible probability, in sharp contrast to what is observed for the 31 knot. The study of several single point mutations highlights the importance in the folding of knotted proteins of the so-called structural mutations (i.e., energetic perturbations of native interactions between residues that are critical for knotting but not for folding). On the other hand, the present study predicts that mutations that perturb the folding transition state may significantly enhance the kinetic stability of knotted proteins provided they involve residues located within the knotted core.

Femtosecond laser-assisted deep anterior lamellar keratoplasty in phototherapeutic keratectomy versus the big-bubble technique in keratoconus

Directory of Open Access Journals (Sweden)

Jarbas Pereira de Macedo

2018-05-01

Full Text Available AIM: To compare the functional and anatomic results of femtosecond laser (FSL-assisted deep anterior lamellar keratoplasty (DALK associated with phototherapeutic keratectomy (PTK and FSL-assisted DALK performed using the big-bubble technique in keratoconus. METHODS: During the first phase of the study, an electron microscopy histopathology pilot study was conducted that included four unsuitable donor corneas divided into two groups: in FSL group, FSL lamellar cuts were performed on two corneas and in FSL+PTK group, PTK was performed at the stromal beds of two corneas after FSL lamellar cuts were made. During the second phase of the study, a randomized clinical trial was conducted that included two treatment groups of patients with keratoconus: group 1 (n=14 eyes underwent FSL-assisted DALK associated with PTK and group 2 (n=12 eyes underwent FSL-assisted DALK associated with the big-bubble technique. The main outcome measures were the postoperative visual acuity (VA and optical coherence tomography (OCT measurements, confocal microscopic findings, and contrast sensitivity. RESULTS: In the pilot study, histopathology showed a more regular stromal bed in the FSL+PTK group. In the clinical trial, group 1 had significantly worse best spectacle-corrected VA and contrast sensitivity (P<0.05 for both comparisons. The residual stromal bed measured by OCT was significantly (P<0.05 thicker in group 1. Confocal microscopy detected opacities only at the donor-receptor interface in group 1. CONCLUSION: Patients with keratoconus treated with FSL-assisted DALK performed using the big-bubble technique fare better than treated with FSL-assisted DALK associated with PTK.

SANS and SAXS study of block copolymer/homopolymer mixtures

International Nuclear Information System (INIS)

Hasegawa, Hirokazu; Tanaka, Hideaki; Hashimoto, Takeji; Han, C.C.

1991-01-01

The lateral and vertical components of the radius of gyration for a single block copolymer chain and those of a single homopolymer chain in the lamellar microdomain space formed by a mixture of diblock copolymers and homopolymers were investigated by means of small-angle neutron scattering (SANS) and the microdomain structures by small-angle X-ray scattering (SAXS). The homopolymers whose molecular weights are much smaller than that of the corresponding chains of the block copolymers were used so that the homopolymers were uniformly solubilized in the corresponding microdomains. The SANS result suggests that the homopolymer chains in the microdomain space as well as the block copolymer chains are more compressed in the direction parallel to the interface and more stretched in the direction perpendicular to the interface than the corresponding unperturbed polymer chains with the same molecular weight. On increasing the volume fraction of the homopolymers the thickness of the lamellar microdomains increases. The block copolymer chains were found to undergo an isochoric affine deformation on addition of the homopolymers or with the change of the thickness of the lamellar microdomains. (orig.)

Hydrogel Tethering Enhances Interdomain Stabilization of Single-Chain Antibodies

Energy Technology Data Exchange (ETDEWEB)

Xiong, Yijia [Department; Ford, Nicole R. [Marine; Hecht, Karen A. [Marine; Roesijadi, Guritno [Marine; Department; Squier, Thomas C. [Department

2017-10-12

Self-assembly of recombinant proteins within the biosilica of living diatoms represents a means to construct functional materials in a reproducible and scalable manner that enable applications that harness the inherent specificities of proteins to sense and respond to environmental cues. Here we describe the use of a silaffin-derived lysine-rich 39 amino-acid targeting sequence (Sil3T8) to direct a single chain fragment variable (scFv) antibody or an enhanced green fluorescent protein (EGFP) to assemble within the biosilica frustule, resulting in abundances in excess of 200,000 proteins per frustule. The fluorescence of either a derivative of trinitrotoluene (TNT) bound to the scFv or the endogenous fluorescence of EGFP was used to monitor pro-tein conformational dynamics, accessibility to external quenchers, binding affinity, and conformational stability. We find that proteins within isolated frustules undergo isotropic rotational motions with two-fold increases in rotational correlation times, which are indicative of weak macromolecular associations within the biosilica. Solvent accessibilities and high-affinity (pM) binding are comparable to those in solution. In contrast to solution conditions, scFv antibod-ies within the biosilica matrix retain their binding affinity in the presence of chaotropic agents (i.e., 8 M urea). These results argue that dramatic increases in protein conforma-tional stability within the biosilica frustule matrices arise through molecular crowding, acting to retain native protein folds and associated functionality to allow the utility of engineered proteins under a range of harsh environmental conditions associated with environmental sensing and industrial catalytic transformations.

Self-similar voiding solutions for a single layered model of folding rocks

NARCIS (Netherlands)

Dodwell, T.J.; Peletier, M.A.; Budd, C.J.; Hunt, G.W.

2011-01-01

In this paper we derive an obstacle problem with a free boundary to describe the formation of voids at areas of intense geological folding. An elastic layer is forced by overburden pressure against a V-shaped rigid obstacle. Energy minimization leads to representation as a non-linear fourth-order

Structural aspects of pressure effects on infrared spectra of mixed-chain phosphatidylcholine assemblies in D2O

International Nuclear Information System (INIS)

Wong, P.T.; Huang, C.H.

1989-01-01

The barotropic behavior of D 2 O dispersions of 1-stearoyl-2-caproyl-sn-glycero-3-phosphocholine, C(18):C(10)PC, a highly asymmetric phospholipid in which the length of the fully extended acyl chain at the sn-1 position of the glycerol backbone is twice as long as that at the sn-2 position, has been investigated by high-pressure Fourier transform infrared spectroscopy. This asymmetric phosphatidylcholine bilayer at room temperature displays a pressure-induced phase transition corresponding to the liquid-crystalline----gel phase transition at 1.4 kbar. A conformational ordering of the lipid acyl chains is observed to take place abruptly at the transition pressure of 1.4 kbar. However, the lamellar lipid molecules and their acyl chains remain to be orientationally disordered in the gel phase until the applied pressure reaches 5.5 kbar. In the gel phase of fully hydrated C(18):C(10)PC, the asymmetric lipid molecules assemble into mixed interdigitated bilayers with perpendicular orientation of the zigzag planes among neighboring acyl chains. The role of excess water played in the interchain structure and the behavior of excess water and bound water under high pressure are also discussed

Solute transport in a single fracture involving an arbitrary length decay chain with rock matrix comprising different geological layers.

Science.gov (United States)

Mahmoudzadeh, Batoul; Liu, Longcheng; Moreno, Luis; Neretnieks, Ivars

2014-08-01

A model is developed to describe solute transport and retention in fractured rocks. It accounts for advection along the fracture, molecular diffusion from the fracture to the rock matrix composed of several geological layers, adsorption on the fracture surface, adsorption in the rock matrix layers and radioactive decay-chains. The analytical solution, obtained for the Laplace-transformed concentration at the outlet of the flowing channel, can conveniently be transformed back to the time domain by the use of the de Hoog algorithm. This allows one to readily include it into a fracture network model or a channel network model to predict nuclide transport through channels in heterogeneous fractured media consisting of an arbitrary number of rock units with piecewise constant properties. More importantly, the simulations made in this study recommend that it is necessary to account for decay-chains and also rock matrix comprising at least two different geological layers, if justified, in safety and performance assessment of the repositories for spent nuclear fuel. Copyright © 2014 Elsevier B.V. All rights reserved.

Approximate self-similarity in models of geological folding

NARCIS (Netherlands)

Budd, C.J.; Peletier, M.A.

2000-01-01

We propose a model for the folding of rock under the compression of tectonic plates. This models an elastic rock layer imbedded in a viscous foundation by a fourth-order parabolic equation with a nonlinear constraint. The large-time behavior of solutions of this problem is examined and found to be

The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space.

Science.gov (United States)

Towse, Clare-Louise; Akke, Mikael; Daggett, Valerie

2017-04-27

Molecular dynamics (MD) simulations contain considerable information with regard to the motions and fluctuations of a protein, the magnitude of which can be used to estimate conformational entropy. Here we survey conformational entropy across protein fold space using the Dynameomics database, which represents the largest existing data set of protein MD simulations for representatives of essentially all known protein folds. We provide an overview of MD-derived entropies accounting for all possible degrees of dihedral freedom on an unprecedented scale. Although different side chains might be expected to impose varying restrictions on the conformational space that the backbone can sample, we found that the backbone entropy and side chain size are not strictly coupled. An outcome of these analyses is the Dynameomics Entropy Dictionary, the contents of which have been compared with entropies derived by other theoretical approaches and experiment. As might be expected, the conformational entropies scale linearly with the number of residues, demonstrating that conformational entropy is an extensive property of proteins. The calculated conformational entropies of folding agree well with previous estimates. Detailed analysis of specific cases identifies deviations in conformational entropy from the average values that highlight how conformational entropy varies with sequence, secondary structure, and tertiary fold. Notably, α-helices have lower entropy on average than do β-sheets, and both are lower than coil regions.

Gravitating monopole-antimonopole chains and vortex rings

International Nuclear Information System (INIS)

Kleihaus, Burkhard; Kunz, Jutta; Shnir, Yasha

2005-01-01

We construct monopole-antimonopole chain and vortex solutions in Yang-Mills-Higgs theory coupled to Einstein gravity. The solutions are static, axially symmetric, and asymptotically flat. They are characterized by two integers (m,n) where m is related to the polar angle and n to the azimuthal angle. Solutions with n=1 and n=2 correspond to chains of m monopoles and antimonopoles. Here the Higgs field vanishes at m isolated points along the symmetry axis. Larger values of n give rise to vortex solutions, where the Higgs field vanishes on one or more rings, centered around the symmetry axis. When gravity is coupled to the flat space solutions, a branch of gravitating monopole-antimonopole chain or vortex solutions arises and merges at a maximal value of the coupling constant with a second branch of solutions. This upper branch has no flat space limit. Instead in the limit of vanishing coupling constant it either connects to a Bartnik-McKinnon or generalized Bartnik-McKinnon solution, or, for m>4, n>4, it connects to a new Einstein-Yang-Mills solution. In this latter case further branches of solutions appear. For small values of the coupling constant on the upper branches, the solutions correspond to composite systems, consisting of a scaled inner Einstein-Yang-Mills solution and an outer Yang-Mills-Higgs solution

Self-assembly morphology effects on the crystallization of semicrystalline block copolymer thin film

Science.gov (United States)

Wei, Yuhan; Pan, Caiyuan; Li, Binyao; Han, Yanchun

2007-03-01

Self-assembly morphology effects on the crystalline behavior of asymmetric semicrystalline block copolymer polystyrene-block-poly(L-lactic acid) thin film were investigated. Firstly, a series of distinctive self-assembly aggregates, from spherical to ellipsoid and rhombic lamellar micelles (two different kinds of rhombic micelles, defined as rhomb 1 and rhomb 2) was prepared by means of promoting the solvent selectivity. Then, the effects of these self-assembly aggregates on crystallization at the early stage of film evolution were investigated by in situ hot stage atomic force microscopy. Heterogeneous nucleation initiated from the spherical micelles and dendrites with flat on crystals appeared with increasing temperature. At high temperature, protruding structures were observed due to the thickening of the flat-on crystals and finally more thermodynamically stable crystallization formed. Annealing the rhombic lamellar micelles resulted in different phenomena. Turtle-shell-like crystalline structure initiated from the periphery of the rhombic micelle 1 and spread over the whole film surface in the presence of mostly noncrystalline domain interior. Erosion and small hole appeared at the surface of the rhombic lamellar micelle 2; no crystallization like that in rhomb 1 occurred. It indicated that the chain-folding degree was different in these two micelles, which resulted in different annealing behaviors.

Effect of different solutions on electrochemical deposition of ZnO

International Nuclear Information System (INIS)

Asil, H.; Chinar, K.; Gur, E.; Tuzemen, S.

2010-01-01

ZnO thin films were grown by electrochemical deposition (ECD) onto indium tin oxide using different compounds such as Zn(NO 3 ) 2 , Zn(C 2 H 3 O 2 ) 2 , ZnCl 2 , Zn(ClO 4 ) 2 and different solvents such as dimethylsulfoxide (DMSO) and 18 M deionized water. Furthermore, solutions were prepared using different electrolytes and concentrations in order to determine the optimum deposition parameters of ZnO. All the grown films were characterized by X-ray diffraction, optical absorption and photoluminescence measurement techniques. It is indicated that films grown by using Zn(ClO 4 ) 2 show high crystallinity and optical quality. The X-ray diffraction analysis showed that ZnO thin films which were grown electrochemically in a non-aqueous solution (DMSO) prepared by Zn(ClO 4 ) 2 have highly c-axis preferential orientation. PL measurements showed that ZnO thin films grown in Zn(ClO 4 ) 2 indicates high quality emission characteristics compared to the thin films grown by other solutions

Prospective randomized double-blind trial of branched chain amino acid enriched versus standard parenteral nutrition solutions in traumatized and septic patients

NARCIS (Netherlands)

Vente, J. P.; Soeters, P. B.; von Meyenfeldt, M. F.; Rouflart, M. M.; van der Linden, C. J.; Gouma, D. J.

1991-01-01

The addition of branched chain amino acids (BCAA) to total parenteral nutrition (TPN) solutions of balanced aminoacid composition has been reported to result in improved nitrogen balance, preservation of plasma protein levels, and improved immune function; however, only a few large clinical studies

Protein Folding Free Energy Landscape along the Committor - the Optimal Folding Coordinate.

Science.gov (United States)

Krivov, Sergei V

2018-06-06

Recent advances in simulation and experiment have led to dramatic increases in the quantity and complexity of produced data, which makes the development of automated analysis tools very important. A powerful approach to analyze dynamics contained in such data sets is to describe/approximate it by diffusion on a free energy landscape - free energy as a function of reaction coordinates (RC). For the description to be quantitatively accurate, RCs should be chosen in an optimal way. Recent theoretical results show that such an optimal RC exists; however, determining it for practical systems is a very difficult unsolved problem. Here we describe a solution to this problem. We describe an adaptive nonparametric approach to accurately determine the optimal RC (the committor) for an equilibrium trajectory of a realistic system. In contrast to alternative approaches, which require a functional form with many parameters to approximate an RC and thus extensive expertise with the system, the suggested approach is nonparametric and can approximate any RC with high accuracy without system specific information. To avoid overfitting for a realistically sampled system, the approach performs RC optimization in an adaptive manner by focusing optimization on less optimized spatiotemporal regions of the RC. The power of the approach is illustrated on a long equilibrium atomistic folding simulation of HP35 protein. We have determined the optimal folding RC - the committor, which was confirmed by passing a stringent committor validation test. It allowed us to determine a first quantitatively accurate protein folding free energy landscape. We have confirmed the recent theoretical results that diffusion on such a free energy profile can be used to compute exactly the equilibrium flux, the mean first passage times, and the mean transition path times between any two points on the profile. We have shown that the mean squared displacement along the optimal RC grows linear with time as for

Why and how does native topology dictate the folding speed of a protein?

Science.gov (United States)

Rustad, Mark; Ghosh, Kingshuk

2012-11-01

Since the pioneering work of Plaxco, Simons, and Baker, it is now well known that the rates of protein folding strongly correlate with the average sequence separation (absolute contact order (ACO)) of native contacts. In spite of multitude of papers, our understanding to the basis of the relation between folding speed and ACO is still lacking. We model the transition state as a Gaussian polymer chain decorated with weak springs between native contacts while the unfolded state is modeled as a Gaussian chain only. Using these hamiltonians, our perturbative calculation explicitly shows folding speed and ACO are linearly related when only the first order term in the series is considered. However, to the second order, we notice the existence of two new topological metrics, termed COC1 and COC2 (COC stands for contact order correction). These additional correction terms are needed to properly account for the entropy loss due to overlapping (nested or linked) loops that are not well described by simple addition of entropies in ACO. COC1 and COC2 are related to fluctuations and correlations among different sequence separations. The new metric combining ACO, COC1, and COC2 improves folding speed dependence on native topology when applied to three different databases: (i) two-state proteins with only α/β and β proteins, (ii) two-state proteins (α/β, β and purely helical proteins all combined), and (iii) master set (multi-state and two-state) folding proteins. Furthermore, the first principle calculation provides us direct physical insights to the meaning of the fit parameters. The coefficient of ACO, for example, is related to the average strength of the contacts, while the constant term is related to the protein folding speed limit. With the new scaling law, our estimate of the folding speed limit is in close agreement with the widely accepted value of 1 μs observed in proteins and RNA. Analyzing an exhaustive set (7367) of monomeric proteins from protein data bank

Exact solution to the moment problem for the XY chain

International Nuclear Information System (INIS)

Witte, N.S.

1996-01-01

We present the exact solution to the moment problem for the spin-1/2 isotropic antiferromagnetic XY chain with explicit forms for the moments with respect to the Neel state, the cumulant generating function, and the Resolvent Operator. We verify the correctness of the Horn-Weinstein Theorems, but the analytic structure of the generating function (e -tH ) in the complex t-plane is quite different from that assumed by the t-Expansion and the Connected Moments Expansion due to the vanishing gap. This function has a finite radius of convergence about t = 0, and for large 't' has a leading descending algebraic series E(t)-E o ∼ At -2 . The Resolvent has a branch cut and essential singularity near the ground state energy of the form G(s)/s∼B|s+1| -3/4 exp(C|s+1| 1/2 ). Consequently extrapolation strategies based on these assumptions are flawed and in practice we find that the CMX methods are pathological and cannot be applied, while numerical evidence for two of the t-expansion methods indicates a clear asymptotic convergence behaviour with truncation order. (author). 28 refs., 2 figs

Evaluation of biosurfactants grown in corn oil by Rhodococcus rhodochrous on removing of heavy metal ion from aqueous solution

International Nuclear Information System (INIS)

Suryanti, Venty; Hastuti, Sri; Pujiastuti, Dwi

2016-01-01

The potential application of biosurfactants to remove heavy metal ion from aqueous solution by batch technique was examined. The glycolipids type biosurfactants were grown in a media containing of 20% v/v corn oil with 7 days of fermentation by Rhodococcus rhodochrous. The biosurfactants reduced the surface tension of water of about 51% from 62 mN/m to 30 mN/m. The biosurfactant increased the E24 of water-palm oil emulsion of about 55% from 43% to 97% and could maintain this E24 value of above 50% for up to 9 days. Heavy metal ion removal, in this case cadmium ion, by crude and patially purified biosurfactants has been investigated from aqueous solution at pH 6. Adsorption capacity of Cd(II) ion by crude biosurfactant with 5 and 10 minutes of contact times were 1.74 and 1.82 mg/g, respectively. Additionally, the adsorption capacity of Cd(II) ion by partially purified biosurfactant with 5 and 10 minutes of contact times were 0.79 and 1.34 mg/g, respectively. The results demonstrated that the adsorption capacity of Cd(II) ion by crude biosurfactant was higher than that of by partially purified biosurfactant. The results suggested that the biosurfactant could be used in the removal of heavy metal ions from aqueous solution

Evaluation of biosurfactants grown in corn oil by Rhodococcus rhodochrous on removing of heavy metal ion from aqueous solution

Science.gov (United States)

Suryanti, Venty; Hastuti, Sri; Pujiastuti, Dwi

2016-02-01

The potential application of biosurfactants to remove heavy metal ion from aqueous solution by batch technique was examined. The glycolipids type biosurfactants were grown in a media containing of 20% v/v corn oil with 7 days of fermentation by Rhodococcus rhodochrous. The biosurfactants reduced the surface tension of water of about 51% from 62 mN/m to 30 mN/m. The biosurfactant increased the E24 of water-palm oil emulsion of about 55% from 43% to 97% and could maintain this E24 value of above 50% for up to 9 days. Heavy metal ion removal, in this case cadmium ion, by crude and patially purified biosurfactants has been investigated from aqueous solution at pH 6. Adsorption capacity of Cd(II) ion by crude biosurfactant with 5 and 10 minutes of contact times were 1.74 and 1.82 mg/g, respectively. Additionally, the adsorption capacity of Cd(II) ion by partially purified biosurfactant with 5 and 10 minutes of contact times were 0.79 and 1.34 mg/g, respectively. The results demonstrated that the adsorption capacity of Cd(II) ion by crude biosurfactant was higher than that of by partially purified biosurfactant. The results suggested that the biosurfactant could be used in the removal of heavy metal ions from aqueous solution.

Evaluation of biosurfactants grown in corn oil by Rhodococcus rhodochrous on removing of heavy metal ion from aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Suryanti, Venty, E-mail: venty@mipa.uns.ac.id; Hastuti, Sri; Pujiastuti, Dwi [Department of Chemistry, Faculty of Mathematics and Natural Sciences, Sebelas Maret University Jl. Ir. Sutami 36A, Surakarta, Central Java 57126 (Indonesia)

2016-02-08

The potential application of biosurfactants to remove heavy metal ion from aqueous solution by batch technique was examined. The glycolipids type biosurfactants were grown in a media containing of 20% v/v corn oil with 7 days of fermentation by Rhodococcus rhodochrous. The biosurfactants reduced the surface tension of water of about 51% from 62 mN/m to 30 mN/m. The biosurfactant increased the E24 of water-palm oil emulsion of about 55% from 43% to 97% and could maintain this E24 value of above 50% for up to 9 days. Heavy metal ion removal, in this case cadmium ion, by crude and patially purified biosurfactants has been investigated from aqueous solution at pH 6. Adsorption capacity of Cd(II) ion by crude biosurfactant with 5 and 10 minutes of contact times were 1.74 and 1.82 mg/g, respectively. Additionally, the adsorption capacity of Cd(II) ion by partially purified biosurfactant with 5 and 10 minutes of contact times were 0.79 and 1.34 mg/g, respectively. The results demonstrated that the adsorption capacity of Cd(II) ion by crude biosurfactant was higher than that of by partially purified biosurfactant. The results suggested that the biosurfactant could be used in the removal of heavy metal ions from aqueous solution.

Aggregation performance of CdO grains grown on surface of N silicon crystal

International Nuclear Information System (INIS)

Zhang Jizhong; Zhao Huan

2010-01-01

Four kinds of aggregation patterns of CdO grains were formed on the surface of N silicon substrate heated at 580 deg. C for 1 h in an evaporation-deposition device. They were ellipse-shaped or quasi-circular-shaped aggregate, long ribbon-shaped aggregate, long chain-shaped or long double-chain-shaped aggregate, and long ellipse-chain-shaped aggregate. These aggregates consisted of numerous grains or tiny crystals, and deposited on top of the CdO bush-like long crystal clusters grown earlier. They exhibited clearly spontaneous self-organization aggregation performance. Surface defects of the virgin N silicon crystal were analyzed, and mechanism of the self-organization aggregation was discussed with a defect induced aggregation (DIA) model.

Ribbon phase in a phase-separated lyotropic lamellar-sponge mixture under shear flow

Science.gov (United States)

Cristobal, G.; Rouch, J.; Panizza, P.; Narayanan, T.

2001-07-01

We report the effect of shear flow on a phase-separated system composed of lyotropic lamellar (Lα) and sponge (L3) phases in a mixture of brine, surfactant, and cosurfactant. Optical microscopy, small-angle light, and x-ray scattering measurements are consistent with the existence of a steady state made of multilamellar ribbonlike structures aligned in the flow direction. At high shear rates, these ribbonlike structures become unstable and break up into monodisperse droplets resulting in a shear-thickening transition.

Nucleation of the lamellar phase from the disordered phase of the renormalized Landau-Brazovskii model

Science.gov (United States)

Carilli, Michael F.; Delaney, Kris T.; Fredrickson, Glenn H.

2018-02-01

Using the zero-temperature string method, we investigate nucleation of a stable lamellar phase from a metastable disordered phase of the renormalized Landau-Brazovskii model at parameters explicitly connected to those of an experimentally accessible diblock copolymer melt. We find anisotropic critical nuclei in qualitative agreement with previous experimental and analytic predictions; we also find good quantitative agreement with the predictions of a single-mode analysis. We conduct a thorough search for critical nuclei containing various predicted and experimentally observed defect structures. The predictions of the renormalized model are assessed by simulating the bare Landau-Brazovskii model with fluctuations. We find that the renormalized model makes reasonable predictions for several important quantities, including the order-disorder transition (ODT). However, the critical nucleus size depends sharply on proximity to the ODT, so even small errors in the ODT predicted by the renormalized model lead to large errors in the predicted critical nucleus size. We conclude that the renormalized model is a poor tool to study nucleation in the fluctuating Landau-Brazovskii model, and recommend that future studies work with the fluctuating bare model directly, using well-chosen collective variables to investigate kinetic pathways in the disorder → lamellar transition.

Microstructures and mechanical properties of directionally solidified Ni-25%Si full lamellar in situ composites

International Nuclear Information System (INIS)

Zhang, Binggang; Li, Xiaopeng; Wang, Ting; Liu, Zheng

2016-01-01

Directional solidification experiments have been performed on Ni-25 at% Si alloy using electron beam floating zone method. A fully regular eutectic microstructures consisting of Ni, γ-Ni 31 Si 12 and β 1 -Ni 3 Si have been obtained. The influences of the directional solidification rate on the microstructures and properties of the full lamellar structures have been studied. The results show that the relationship between the mean interphase spacing (λ) and withdrawal rate (v) meets λ=29.9v −0.65 . The hardness increases with the increasing of growth rate (v) and decreasing of the interlamellar spacing (λ) which meets the relationship of H V =445.2v 0.14 and H V =910λ −0.21 . The maximum compressive strength, 2576 MPa, for DS samples is obtained by 10 mm/h. The average fracture toughness value found for 5 mm/h, 7 mm/h, 10 mm/h is 28.3 MPa m 1/2 , 29.1 MPa m 1/2 and 35.9 MPa m 1/2 , respectively. The crack bridging and crack deflection/interface debonding are the main toughening mechanism of Ni-25 at% Si with full lamellar structures.

A Two-Dimensional Lamellar Membrane: MXene Nanosheet Stacks.

Science.gov (United States)

Ding, Li; Wei, Yanying; Wang, Yanjie; Chen, Hongbin; Caro, Jürgen; Wang, Haihui

2017-02-06

Two-dimensional (2D) materials are promising candidates for advanced water purification membranes. A new kind of lamellar membrane is based on a stack of 2D MXene nanosheets. Starting from compact Ti 3 AlC 2 , delaminated nanosheets of the composition Ti 3 C 2 T x with the functional groups T (O, OH, and/or F) can be produced by etching and ultrasonication and stapled on a porous support by vacuum filtration. The MXene membrane supported on anodic aluminum oxide (AAO) substrate shows excellent water permeance (more than 1000 L m -2  h -1  bar -1 ) and favorable rejection rate (over 90 %) for molecules with sizes larger than 2.5 nm. The water permeance through the MXene membrane is much higher than that of the most membranes with similar rejections. Long-time operation also reveals the outstanding stability of the MXene membrane for water purification. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of a CER[NP]- and [AP]-Based Stratum Corneum Modeling Membrane System: Using Specifically Deuterated CER Together with a Neutron Diffraction Approach.

Science.gov (United States)

Schmitt, Thomas; Lange, Stefan; Dobner, Bodo; Sonnenberger, Stefan; Hauß, Thomas; Neubert, Reinhard H H

2018-01-30

Neutron diffraction was used as a tool to investigate the lamellar as well as molecular nanostructure of ceramide-[NP]/ceramide-[AP]/cholesterol/lignoceric acid model systems with a nativelike 2:1 ratio and a 1:2 ratio to study the influence of the ceramide-[AP]. By using mixtures together with cholesterol and free fatty acids as well as a humidity and temperature chamber while measuring, natural conditions were simulated as closely as possible. Despite its simplicity, the system simulated the native stratum corneum lipid matrix fairly closely, showing a similar lamellar thickness with a repeat distance of 5.45 ± 0.1 nm and a similar arrangement with overlapping long C24 chains. Furthermore, despite the very minor chemical difference between ceramide-[NP] and ceramide-[AP], which is only a single OH group, it was possible to demonstrate substantial differences between the structural influence of the two ceramides. Ceramide-[AP] could be concluded to be arranged in such a way that its C24 chain in both ratios is somehow shorter than that of ceramide-[NP], not overlapping as much with the opposite lamellar leaflet. Furthermore, in the unnatural 1:2 ratio, the higher ceramide-[AP] content causes an increased tilt of the ceramide acyl chains. This leads to even less overlapping within the lamellar midplane, whereas the repeat distance stays the same as for the ceramide-[NP]-rich system. In this nativelike 2:1 ratio, the chains are arranged mostly straight, and the long C24 chains show a broad overlapping region in the lamellar midplane.

Nonlinear tearing mode and vortex chains

International Nuclear Information System (INIS)

Jovanovic, D.; Vranjes, J.

1996-01-01

We study the nonlinear stage of a tearing mode, whose island width exceeds the tearing layer thickness, and the wavelength is of the order of collisionless skin depth. A coherent solution is found in the form of a moving vortex chain. It is the result of a self-organization process, which adjusts the profile of the sheared poloidal magnetic field and excites a localized perpendicular sheared plasma flow, consisting of three counterstreaming jets. A numerical solution shows a twin chain of plasma vortices, coupled with a single chain of magnetic islands, whose width is of the order of collisionless skin depth. Adiabatic evolution of the vortex chain in the presence of small viscosity reveals its finite lifetime. The chain destruction may occur either directly, or through a sequence of bifurcations (corresponding to abrupt changes of the vortex chain parameters) to magnetic field stochastization within a layer of the collisionless skin depth scale, which occurs before the magnetic island overlapping takes place. This provides a new mechanism for the anomalous transport. (orig.)

Queratitis lamelar difusa después de un corte incompleto Diffuse lamellar keratitis after incomplete corneal flap cut

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Yanaisa Riverón Ruiz

2012-12-01

Full Text Available La queratitis lamelar difusa es una inflamación estéril de la interfase lamelar que suele presentarse 24 horas después de la realización de la queratomileusis in situ asistida con láser y potencialmente puede comprometer la agudeza visual final. Se presenta un paciente de 25 años de edad con antecedentes de cirugía refractiva corneal mediante queratomileusis in situ con láser en el ojo derecho, que tuvo como complicación durante el acto quirúrgico un corte incompleto. En el posoperatorio inmediato se le diagnosticó una queratitis lamelar difusa. Se aplicó tratamiento local y se obtuvo la recuperación visual total del paciente con estabilidad del defecto refractivo. Esto permite posteriormente realizarle la corrección mediante cirugía refractiva de superficie.The diffuse lamellar keratitis is a sterile swelling of the lamellar interface which arises generally 24 hours after laser in situ keratomileusis and might affect the final visual acuity. A 25 years- old patient with history of corneal refractive surgery by laser in situ keratomileusis on his right eye was reported. He suffered from an incomplete corneal flap cut as complication during the surgical procedure, and a diffuse lamellar keratitis was detected at the immediate postsurgical visit. Total visual recovery and the refractive defect stability were attained through local treatment. This allows further correcting the defect by means of a surface refractive surgery in the future.

Perfluoroalkyl acid distribution in various plant compartments of edible crops grown in biosolids-amended soils

Science.gov (United States)

Crop uptake of perfluoroalkyl acids (PFAAs) from biosolids-amended soil has been identified as a potential pathway for PFAA entry into the terrestrial food chain. This study compared the uptake of PFAAs in greenhouse-grown radish (Raphanus sativus), celery (Apium graveolens var.d...

Method-Unifying View of Loop-Formation Kinetics in Peptide and Protein Folding.

Science.gov (United States)

Jacob, Maik H; D'Souza, Roy N; Schwarzlose, Thomas; Wang, Xiaojuan; Huang, Fang; Haas, Elisha; Nau, Werner M

2018-04-26

Protein folding can be described as a probabilistic succession of events in which the peptide chain forms loops closed by specific amino acid residue contacts, herein referred to as loop nodes. To measure loop rates, several photophysical methods have been introduced where a pair of optically active probes is incorporated at selected chain positions and the excited probe undergoes contact quenching (CQ) upon collision with the second probe. The quenching mechanisms involved triplet-triplet energy transfer, photoinduced electron transfer, and collision-induced fluorescence quenching, where the fluorescence of Dbo, an asparagine residue conjugated to 2,3-diazabicyclo[2.2.2]octane, is quenched by tryptophan. The discrepancy between the loop rates afforded from these three CQ techniques has, however, remained unresolved. In analyzing this discrepancy, we now report two short-distance FRET methods where Dbo acts as an energy acceptor in combination with tryptophan and naphtylalanine, two donors with largely different fluorescence lifetimes of 1.3 and 33 ns, respectively. Despite the different quenching mechanisms, the rates from FRET and CQ methods were, surprisingly, of comparable magnitude. This combination of FRET and CQ data led to a unifying physical model and to the conclusion that the rate of loop formation in folding reactions varies not only with the kind and number of residues that constitute the chain but also in particular with the size and properties of the residues that constitute the loop node.

Covering folded shapes

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Oswin Aichholzer

2014-05-01

Full Text Available Can folding a piece of paper flat make it larger? We explore whether a shape S must be scaled to cover a flat-folded copy of itself. We consider both single folds and arbitrary folds (continuous piecewise isometries \\(S\\to\\mathbb{R}^2\\. The underlying problem is motivated by computational origami, and is related to other covering and fixturing problems, such as Lebesgue's universal cover problem and force closure grasps. In addition to considering special shapes (squares, equilateral triangles, polygons and disks, we give upper and lower bounds on scale factors for single folds of convex objects and arbitrary folds of simply connected objects.

Kinetics and mechanism of transitions involving the lamellar, cubic, inverted hexagonal, and fluid isotropic phases of hydrated monoacylglycerides monitored by time-resolved X-ray diffraction

International Nuclear Information System (INIS)

Caffrey, M.

1987-01-01

A study of the dynamics and mechanism of the various thermotropic phase transitions undergone by the hydrated monoacylglycerides monoolein and monoelaidin, in the temperature range of 20-120 0 C and from 0 to 5 M NaCl, has been undertaken. Measurements were made by using time-resolved X-ray diffraction at the Cornell High-Energy Synchrotron Source. The lamellar chain order/disorder, lamellar/cubic (body centered, space group No.8), cubic (body centered, No.8)/cubic (primitive No.4), cubic (body centered, No.12)/cubic (primitive, No.4), cubic (primitive, No.4)/fluid isotropic, cubic (body centered, No.12)/inverted hexagonal, cubic (primitive, No.4)/inverted hexagonal, and hexagonal/fluid isotropic transitions were examined under active heating and passive cooling by using a jump in temperature to effect phase transformation. All of the transitions with the exception of the cubic (body centered, No.8)/cubic (primitive, No.4) and the cubic (body centered, No.12)/cubic (primitive, No.4) cooling transitions were found (1) to be repeatable, (2) to be reversible, and (3) to have an upper bound on the transit time (time required to complete the transition) of ≤ 3s. In addition to the time-resolved measurements, data were obtained on the stability of the various phases in the temperature range of 20-120 0 C and from 0 to 5 M NaCl. In the case of fully hydrated monoolein, high salt strongly favors the hexagonal over the cubic (body centered, No.8) phase and slightly elevates the hexagonal/fluid isotropic transition temperature. With fully hydrated monoelaidin, the hexagonal phase which is not observed in the absence of salt becomes the dominant phase at high salt concentration

Soil solution Zn and pH dynamics in non-rhizosphere soil and in the rhizosphere of Thlaspi caerulescens grown in a Zn/Cd-contaminated soil.

Science.gov (United States)

Luo, Y M; Christie, P; Baker, A J

2000-07-01

Temporal changes in soil solution properties and metal speciation were studied in non-rhizosphere soil and in the rhizosphere of the hyperaccumulator Thlaspi caerulescens J. & C. Presl (population from Prayon, Belgium) grown in a Zn- and Cd-contaminated soil. This paper focuses on soil solution Zn and pH dynamics during phytoextraction. The concentration of Zn in both non-rhizosphere and rhizosphere soil solutions decreased from 23 mg/l at the beginning to 2 mg/l at the end of the experiment (84 days after transplanting of seedlings), mainly due to chemical sorption. There was no significant difference in overall Zn concentration between the planted and the unplanted soil solutions (P > 0.05). Soil solution pH decreased initially and then increased slightly in both planted and unplanted soil zones. From 60 to 84 days after transplanting, the pH of the rhizosphere soil solution was higher than that of non-rhizosphere soil solution (P<0.05). Zn uptake by the hyperaccumulator plants was 8.8 mg per pot (each containing 1 kg oven-dry soil) on average. The data indicate that the potential of T. caerulescens to remove Zn from contaminated soil may not be related to acidification of the rhizosphere.

Effects of solubilization of short and medium-chain molecules in the self-assembly of two amphiphilic drugs in solution

International Nuclear Information System (INIS)

Barbosa, Silvia; Cheema, Mohammad Arif; Siddiq, Mohammad; Taboada, Pablo; Mosquera, Victor

2009-01-01

The effect of short and medium chain length alcohols ethanol, propanol, and butanol on the thermodynamic properties of aqueous solutions of the ionic amphiphilic antidepressants imipramine and clomipramine hydrochlorides has been investigated at T = 293 K. Critical concentrations of the drugs were obtained from ultrasound velocity measurements. Experimental results have shown a strong dependence of the ultrasound velocity with the alcohol concentration and chain length. Differences in the aggregate properties of both amphiphiles arise from the presence of the extra Cl - substituent on the ring system of clomipramine. Density and ultrasound measurements have been used to obtain the apparent molar volumes, V φ , and isentropic apparent molar compressibilities, K φ(S) , for the aqueous drug/water-alcohol solutions. The distribution coefficient of the amount solubilized between water and the aggregates, K, has been determined using an indirect method based on the pseudo-phase model by using apparent molar volume values. This method allows the calculation of the distribution coefficients at concentrations below saturation. The standard molar Gibbs free energy change on transfer from the aqueous to the micellar, ΔG 0 , phase was calculated from the partition coefficient. The results have highlighted the structural differences between both amphiphiles

Evidence for close side-chain packing in an early protein folding intermediate previously assumed to be a molten globule.

Science.gov (United States)

Rosen, Laura E; Connell, Katelyn B; Marqusee, Susan

2014-10-14

The molten globule, a conformational ensemble with significant secondary structure but only loosely packed tertiary structure, has been suggested to be a ubiquitous intermediate in protein folding. However, it is difficult to assess the tertiary packing of transiently populated species to evaluate this hypothesis. Escherichia coli RNase H is known to populate an intermediate before the rate-limiting barrier to folding that has long been thought to be a molten globule. We investigated this hypothesis by making mimics of the intermediate that are the ground-state conformation at equilibrium, using two approaches: a truncation to generate a fragment mimic of the intermediate, and selective destabilization of the native state using point mutations. Spectroscopic characterization and the response of the mimics to further mutation are consistent with studies on the transient kinetic intermediate, indicating that they model the early intermediate. Both mimics fold cooperatively and exhibit NMR spectra indicative of a closely packed conformation, in contrast to the hypothesis of molten tertiary packing. This result is important for understanding the nature of the subsequent rate-limiting barrier to folding and has implications for the assumption that many other proteins populate molten globule folding intermediates.

Thermodynamics of Inozemtsev's elliptic spin chain

International Nuclear Information System (INIS)

Klabbers, Rob

2016-01-01

We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.

PREFACE Protein folding: lessons learned and new frontiers Protein folding: lessons learned and new frontiers

Science.gov (United States)

Pappu, Rohit V.; Nussinov, Ruth

2009-03-01

multi-scale dynamical problem when one considers the synergies between protein expression, spontaneous folding, chaperonin-assisted folding, protein targeting, the kinetics of post-translational modifications, protein degradation, and of course the drive to avoid aggregation. Further, there is growing recognition that cells not only tolerate but select for proteins that are intrinsically disordered. These proteins are essential for many crucial activities, and yet their inability to fold in isolation makes them prone to proteolytic processing and aggregation. In the series of papers that make up this special focus on protein folding in physical biology, leading researchers provide insights into diverse cross-sections of problems in protein folding. Barrick provides a concise review of what we have learned from the study of two-state folders and draws attention to how several unanswered questions are being approached using studies on large repeat proteins. Dissecting the contribution of hydration-mediated interactions to driving forces for protein folding and assembly has been extremely challenging. There is renewed interest in using hydrostatic pressure as a tool to access folding intermediates and decipher the role of partially hydrated states in folding, misfolding, and aggregation. Silva and Foguel review many of the nuances that have been uncovered by perturbing hydrostatic pressure as a thermodynamic parameter. As noted above, protein folding in vivo is expected to be considerably more complex than the folding of two-state proteins in dilute solutions. Lucent et al review the state-of-the-art in the development of quantitative theories to explain chaperonin-assisted folding in vivo. Additionally, they highlight unanswered questions pertaining to the processing of unfolded/misfolded proteins by the chaperone machinery. Zhuang et al present results that focus on the effects of surface tethering on transition state ensembles and folding mechanisms of a model two

Growth-Environment Dependent Modulation of Staphylococcus aureus Branched-Chain to Straight-Chain Fatty Acid Ratio and Incorporation of Unsaturated Fatty Acids.

Science.gov (United States)

Sen, Suranjana; Sirobhushanam, Sirisha; Johnson, Seth R; Song, Yang; Tefft, Ryan; Gatto, Craig; Wilkinson, Brian J

2016-01-01

The fatty acid composition of membrane glycerolipids is a major determinant of Staphylococcus aureus membrane biophysical properties that impacts key factors in cell physiology including susceptibility to membrane active antimicrobials, pathogenesis, and response to environmental stress. The fatty acids of S. aureus are considered to be a mixture of branched-chain fatty acids (BCFAs), which increase membrane fluidity, and straight-chain fatty acids (SCFAs) that decrease it. The balance of BCFAs and SCFAs in USA300 strain JE2 and strain SH1000 was affected considerably by differences in the conventional laboratory medium in which the strains were grown with media such as Mueller-Hinton broth and Luria broth resulting in high BCFAs and low SCFAs, whereas growth in Tryptic Soy Broth and Brain-Heart Infusion broth led to reduction in BCFAs and an increase in SCFAs. Straight-chain unsaturated fatty acids (SCUFAs) were not detected. However, when S. aureus was grown ex vivo in serum, the fatty acid composition was radically different with SCUFAs, which increase membrane fluidity, making up a substantial proportion of the total (37%) and BCFAs (>36%) making up the rest. Staphyloxanthin, an additional major membrane lipid component unique to S. aureus, tended to be greater in content in cells with high BCFAs or SCUFAs. Cells with high staphyloxanthin content had a lower membrane fluidity that was attributed to increased production of staphyloxanthin. S. aureus saves energy and carbon by utilizing host fatty acids for part of its total fatty acids when growing in serum, which may impact biophysical properties and pathogenesis given the role of SCUFAs in virulence. The nutritional environment in which S. aureus is grown in vitro or in vivo in an infection is likely to be a major determinant of membrane fatty acid composition.

Developmental, nutritional and hormonal anomalies of weightlessness-grown wheat

Science.gov (United States)

Carman, J. G.; Hole, P.; Salisbury, F. B.; Bingham, G. E.

2015-07-01

The behavior of water in weightlessness, as occurs in orbiting spacecraft, presents multiple challenges for plant growth. Soils remain saturated, impeding aeration, and leaf surfaces remain wet, impeding gas exchange. Herein we report developmental and biochemical anomalies of "Super Dwarf" wheat (Triticum aestivum L.) grown aboard Space Station Mir during the 1996-97 "Greenhouse 2" experiment. Leaves of Mir-grown wheat were hyperhydric, senesced precociously and accumulated aromatic and branched-chain amino acids typical of tissues experiencing oxidative stress. The highest levels of stress-specific amino acids occurred in precociously-senescing leaves. Our results suggest that the leaf ventilation system of the Svet Greenhouse failed to remove sufficient boundary layer water, thus leading to poor gas exchange and onset of oxidative stress. As oxidative stress in plants has been observed in recent space-flight experiments, we recommend that percentage water content in apoplast free-spaces of leaves be used to evaluate leaf ventilation effectiveness. Mir-grown plants also tillered excessively. Crowns and culms of these plants contained low levels of abscisic acid but high levels of cytokinins. High ethylene levels may have suppressed abscisic acid synthesis, thus permitting cytokinins to accumulate and tillering to occur.

Study of catanionic systems by X-rays and neutron scattering; Etude de melanges de catanioniques par diffusion de rayonnement

Energy Technology Data Exchange (ETDEWEB)

Vaudrin, C; Dubois, M; Zemb, T

2001-07-01

The catanionic ternary phase diagram, myristic acid, cetyl-trimethyl-ammonium hydroxide, water is known since 1998. Many specific structures, as discs, icosahedral or extremely swollen lamellar phases, have been characterised. The work presented here is looking particularly toward lamellar domains, and its aim is to understand on one hand the organisation of each surfactant in the lamellar plane, and on the other hand to understand the influence of the excess of surfactant, i.e. the surface charge of the aggregates. DSC analyses and X-rays scattering confirmed the very importance of the head-group interactions. Indeed, the polar heads of opposite sign are closed together and induced a crystallisation of the alkyl chains. But, by the fact that the chains are physically and not chemically linked, the structure keeps a huge thermal expansion coefficient. Some kinetic experiments are also summed up in this report. The gel or fluid state of the chains appears to be an important parameter in the kinetic of formation and of destruction of the lamellar phases. (authors)

Queratitis lamelar difusa después del Lasik Diffuse lamellar keratitis after LASIK

Directory of Open Access Journals (Sweden)

Lorelei Ortega Díaz

2010-12-01

Full Text Available OBJETIVO: Describir el comportamiento de la queratitis lamelar difusa como complicación después de emplear la técnica quirúrgica queratomileusis in situ con láser. MÉTODOS: Se realizó un estudio descriptivo, de corte transversal en el Servicio de Cirugía Refractiva Corneal del Instituto Cubano de Oftalmología "Ramón Pando Ferrer" en el último trimestre del año 2008. La muestra quedó conformada por 16 ojos a los que se les realizó la queratomileusis in situ con láser como técnica quirúrgica para corregir ametropía y que presentaron complicaciones con esta cirugía. Se analizaron variables como la agudeza visual sin corrección; los ojos con esta complicación fueron analizados según la clasificación de Linebarger. RESULTADOS: La frecuencia de queratitis lamelar difusa fue de 3,0 por cada 100. La agudeza visual no corregida se comportó entre 0,8 y 1,0 en 12 ojos de 16 afectados, el estadio 1 se presentó en 12 ojos. CONCLUSIONES: La queratitis lamelar difusa es una complicación poco frecuente, los casos que la padecieron alcanzaron una buena agudeza visual final sin corrección. Predominó la forma leve de este cuadro.OBJECTIVE: To describe the situation of Diffuse lamellar keratitis as a complication after in situ keratomileusis with laser. METHODS: A descriptive cross-sectional study was carried out in the Refractive Corneal Service of "Ramón Pando Ferrer" Cuban Institute of Ophthalmology during the last quarter of 2008. The sample embraced 16 eyes that underwent in situ keratomileusis plus laser as the refractive procedure to correct ametropy and presented with some complications. Visual acuity without correction was one the analyzed variables and the eyes with this type of complication were classified according to Linebarger´s classification. RESULTS: The diffuse lamellar keratitis frequency was 3.0 per one hundred cases, the visual acuity without correction was 0.8 to 1.0 in 12 out of 16 eyes whereas stage 1 was

The ribosome can prevent aggregation of partially folded protein intermediates: studies using the Escherichia coli ribosome.

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Bani Kumar Pathak

Full Text Available BACKGROUND: Molecular chaperones that support de novo folding of proteins under non stress condition are classified as chaperone 'foldases' that are distinct from chaperone' holdases' that provide high affinity binding platform for unfolded proteins and prevent their aggregation specifically under stress conditions. Ribosome, the cellular protein synthesis machine can act as a foldase chaperone that can bind unfolded proteins and release them in folding competent state. The peptidyl transferase center (PTC located in the domain V of the 23S rRNA of Escherichia coli ribosome (bDV RNA is the chaperoning center of the ribosome. It has been proposed that via specific interactions between the RNA and refolding proteins, the chaperone provides information for the correct folding of unfolded polypeptide chains. RESULTS: We demonstrate using Escherichia coli ribosome and variants of its domain V RNA that the ribosome can bind to partially folded intermediates of bovine carbonic anhydrase II (BCAII and lysozyme and suppress aggregation during their refolding. Using mutants of domain V RNA we demonstrate that the time for which the chaperone retains the bound protein is an important factor in determining its ability to suppress aggregation and/or support reactivation of protein. CONCLUSION: The ribosome can behave like a 'holdase' chaperone and has the ability to bind and hold back partially folded intermediate states of proteins from participating in the aggregation process. Since the ribosome is an essential organelle that is present in large numbers in all living cells, this ability of the ribosome provides an energetically inexpensive way to suppress cellular aggregation. Further, this ability of the ribosome might also be crucial in the context that the ribosome is one of the first chaperones to be encountered by a large nascent polypeptide chains that have a tendency to form partially folded intermediates immediately following their synthesis.

Targeted inactivation of the murine Abca3 gene leads to respiratory failure in newborns with defective lamellar bodies

International Nuclear Information System (INIS)

Hammel, Markus; Michel, Geert; Hoefer, Christina; Klaften, Matthias; Mueller-Hoecker, Josef; Angelis, Martin Hrabe de; Holzinger, Andreas

2007-01-01

Mutations in the human ABCA3 gene, encoding an ABC-transporter, are associated with respiratory failure in newborns and pediatric interstitial lung disease. In order to study disease mechanisms, a transgenic mouse model with a disrupted Abca3 gene was generated by targeting embryonic stem cells. While heterozygous animals developed normally and were fertile, individuals homozygous for the altered allele (Abca3-/-) died within one hour after birth from respiratory failure, ABCA3 protein being undetectable. Abca3-/- newborns showed atelectasis of the lung in comparison to a normal gas content in unaffected or heterozygous littermates. Electron microscopy demonstrated the absence of normal lamellar bodies in type II pneumocytes. Instead, condensed structures with apparent absence of lipid content were found. We conclude that ABCA3 is required for the formation of lamellar bodies and lung surfactant function. The phenotype of respiratory failure immediately after birth corresponds to the clinical course of severe ABCA3 mutations in human newborns

Electroclinic effect in the chiral lamellar α phase of a lyotropic liquid crystal

Science.gov (United States)

Harjung, Marc D.; Giesselmann, Frank

2018-03-01

In thermotropic chiral Sm -A* phases, an electric field along the smectic layers breaks the D∞ symmetry of the Sm -A* phase and induces a tilt of the liquid crystal director. This so-called electroclinic effect (ECE) was first reported by Garoff and Meyer in 1977 and attracted substantial scientific and technological interest due to its linear and submicrosecond electro-optic response [S. Garoff and R. B. Meyer, Phys. Rev. A 19, 338 (1979), 10.1103/PhysRevA.19.338]. We now report the observation of an ECE in the pretransitional regime from a lyotropic chiral lamellar Lα* phase into a lyo-Sm -C* phase, the lyotropic analog to the thermotropic Sm -C* phase which was recently discovered by Bruckner et al. [Angew. Chem. Int. Ed. 52, 8934 (2013), 10.1002/anie.201303344]. We further show that the observed ECE has all signatures of its thermotropic counterpart, namely (i) the effect is chiral in nature and vanishes in the racemic Lα phase, (ii) the effect is essentially linear in the sign and magnitude of the electric field, and (iii) the magnitude of the effect diverges hyperbolically as the temperature approaches the critical temperature of the second order tilting transition. Specific deviations between the ECEs in chiral lamellar and chiral smectic phases are related to the internal field screening effect of electric double layers formed by inevitable ionic impurities in lyotropic phases.

Ab initio study of alanine polypeptide chain twisting

DEFF Research Database (Denmark)

Solov'yov, Ilia; Yakubovich, Alexander V.; Solov'yov, Andrey V.

2006-01-01

chains. These particular degrees of freedom are essential for the characterization of the proteins folding process. Calculations have been carried out within the ab initio theoretical framework based on the density functional theory and accounting for all the electrons in the system. We have determined...

90Sr and 137Cs migration in food chain: soil-forage-cattle

International Nuclear Information System (INIS)

Korneev, N.A.; Sirotkin, A.N.

1982-01-01

It is established that the coefficients of biological absorption (CBA) of radionuclides by osteal and muscle tissue change with the age of animals. The CBA of strontium-90 and cesium-137 of the grown animals is 3.0 and 2.8 times respectively higher, than of young animals in the migration chain soil-forage, and in the chain forage-bone, and forage-muscles-3.4 and 1.5 times lower

Comparison of the orientational order of lipid chains in the Lα and HII phases

International Nuclear Information System (INIS)

Lafleur, M.; Cullis, P.R.; Fine, B.; Bloom, M.

1990-01-01

The orientational order profile has been determined by using deuterium nuclear magnetic resonance ( 2 H NMR) for POPE in the lamellar liquid-crystalline (L α ) and the hexagonal (H II ) phases and is shown to be sensitive to the symmetry of the lipid phase. In the H II phase, as compared to the L α phase, the acyl chains are characterized by a greater motional freedom, and the orientational order is distributed more uniformly along the lipid acyl chain. This is consistent with a change from a cylindrical to a wedge-shaped space available for the lipid chain. 2 H NMR studies of POPE dispersions containing tetradecanol or decane, both of which can induce H II phase structure, show very different behavior. Tetradecanol appears to align with the phospholipid chains and experience the L α to H II phase transition with a similar change in motional averaging as observed for the phospholipid chains themselves. In contrast, decane is apparently deeply embedded in the lipid structure and exhibits only a small degree of orientation. The L α to H II phase transition for systems containing decane leads to a dramatic increase of the motional freedom of decane which is more pronounced than that observed for the lipid chains. The presence of decane in the H II phase structure does not modify the order of the lipid chains. However, the L α phase of POPE is slightly disordered by the addition of 9 mol% decane whereas it can accommodate as much as 20 mol% tetradecanol without a significant change of order. Finally, the concept of a stretching vector associated with the lipid acyl chain has been introduced to analyze the orientational order profile obtained in the H II phase. With this model, the average order parameter of the H II phase has been calculated and found to be in good agreement with experiment

Differential proteome and cellular adhesion analyses of the probiotic bacterium Lactobacillus acidophilus NCFM grown on raffinose - an emerging prebiotic

DEFF Research Database (Denmark)

Celebioglu, Hasan Ufuk; Hansen, Morten Ejby; Majumder, Avishek

2016-01-01

Whole cell and surface proteomes were analyzed together with adhesive properties of the probiotic bacterium Lactobacillus acidophilus NCFM (NCFM) grown on the emerging prebiotic raffinose, exemplifying a synbiotic. Adhesion of NCFM to mucin and intestinal HT-29 cells increased three-fold after...

The functional localization of cytochromes b in the respiratory chain of anaerobically grown Proteus mirabilis

NARCIS (Netherlands)

Van Wielink, J E; Reijnders, W N; Van Spanning, R J; Oltmann, L F; Stouthamer, A.H.

1986-01-01

The functional localization of the cytochromes b found in anaerobically grown Proteus mirabilis was investigated. From light absorption spectra, scanned during uninhibited and HQNO-inhibited electron transport to various electron acceptors, it was concluded that all cytochromes b function between

Unexpectedly normal phase behavior of single homopolymer chains

International Nuclear Information System (INIS)

Paul, W.; Strauch, T.; Rampf, F.; Binder, K.

2007-01-01

Employing Monte Carlo simulations, we show that the topology of the phase diagram of a single flexible homopolymer chain changes in dependence on the range of an attractive square well interaction between the monomers. For a range of attraction larger than a critical value, the equilibrium phase diagram of the single polymer chain and the corresponding polymer solution phase diagram exhibit vapor (swollen coil, dilute solution), liquid (collapsed globule, dense solution), and solid phases. Otherwise, the liquid-vapor transition vanishes from the equilibrium phase diagram for both the single chain and the polymer solution. This change in topology of the phase diagram resembles the behavior known for colloidal dispersions. The interplay of enthalpy and conformational entropy in the polymer case thus can lead to the same topology of phase diagrams as the interplay of enthalpy and translational entropy in simple liquids

Solution structure of an archaeal DNA binding protein with an eukaryotic zinc finger fold.

Directory of Open Access Journals (Sweden)

Florence Guillière

Full Text Available While the basal transcription machinery in archaea is eukaryal-like, transcription factors in archaea and their viruses are usually related to bacterial transcription factors. Nevertheless, some of these organisms show predicted classical zinc fingers motifs of the C2H2 type, which are almost exclusively found in proteins of eukaryotes and most often associated with transcription regulators. In this work, we focused on the protein AFV1p06 from the hyperthermophilic archaeal virus AFV1. The sequence of the protein consists of the classical eukaryotic C2H2 motif with the fourth histidine coordinating zinc missing, as well as of N- and C-terminal extensions. We showed that the protein AFV1p06 binds zinc and solved its solution structure by NMR. AFV1p06 displays a zinc finger fold with a novel structure extension and disordered N- and C-termini. Structure calculations show that a glutamic acid residue that coordinates zinc replaces the fourth histidine of the C2H2 motif. Electromobility gel shift assays indicate that the protein binds to DNA with different affinities depending on the DNA sequence. AFV1p06 is the first experimentally characterised archaeal zinc finger protein with a DNA binding activity. The AFV1p06 protein family has homologues in diverse viruses of hyperthermophilic archaea. A phylogenetic analysis points out a common origin of archaeal and eukaryotic C2H2 zinc fingers.

The deformation twin in lamellar Ti 3Al/TiAl structure

Science.gov (United States)

Zhang, J. X.; Ye, H. Q.

2003-04-01

A Ti-48Al-2Cr (at.%) alloy consisting of γ+α 2 lamellar structure was deformed in compression at room temperature. Study by high resolution electron microscopy was carried out on the characteristic of induced γ T/α 2 interface. During deformation the γ T/α 2 interface presents a stepped structure and the γ/α 2 interface remains straight. The formation mechanism of γ T associated with misfit dislocations is proposed. 1/2[01 1¯] γ interfacial dislocation in the γ/α 2 interface can dissociate into a 1/6[ 1¯1 2¯] γ partial dislocation which glides on the ( 1¯11) γ plane and causes γ T to form.

Multipulse NMR study of the lamellar mesophase of some liquid crystals

International Nuclear Information System (INIS)

Jasinski, A.; Morris, P.G.; Mansfield, P.

1977-01-01

Multipulse NMR techniques have been used to investigate the dynamic jproperties of cesium perfluoro-octanoate (CsPFO) and ammonium perfluoro-octanoate (APFO) + water systems, which are liquid crystals, over a wide range of temperautre and concentration. Axially symmetric fluorine chemical shift tensors have been measured for the CF 2 and CF 3 groups by performing a rotation study of an aligned sample (50% CsPFO : 50% D 2 O) at room temperature. The order parameter S in the lamellar mesophase of 72,2% CsPFO : 27,8% D 2 O and 70% APFO : 30% D 2 O has been obtained over as temperature range 20 0 C - 85 0 C by fitting the multipulse spectra. (author)

Two-fold Mellin-Barnes transforms of Usyukina-Davydychev functions

Energy Technology Data Exchange (ETDEWEB)

Kniehl, Bernd [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Kondrashuk, Igor [Univ. del Bio Bio, Chillan (Chile). Dept. de Ciencias Basicas; Bielefeld Univ. (Germany). Fakultaet fuer Physik; Notte-Cuello, Eduardo A. [Univ. de La Serena (Chile). Dept. de Matematicas; Parra-Ferrada, Ivan [Univ. del Bio Bio, Chillan (Chile). Facultad de Educacion y Humanidades; Rojas-Medar, Marko [Univ. del Bio Bio, Chillan (Chile). Dept. de Ciencias Basicas

2013-04-15

In our previous paper (Nucl.Phys.B 870 (2013) 243) we showed that multi-fold Mellin-Barnes (MB) transforms of the Usyukina-Davydychev (UD) functions may be reduced to two-fold MB transforms. The MB transforms were written there as polynomials of logarithms of ratios of squares of the external momenta with certain coefficients. We also showed that these coefficients have a combinatoric origin. In this paper we present an explicit formula for these coefficients. The procedure of recovering the coefficients is based on taking the double uni-form limit in certain series of smooth functions of two variables which is constructed according to a pre-determined iterative way. The result is obtained by using basic methods of mathematical analysis. We observe that the finiteness of the limit of this iterative chain of smooth functions should reflect itself in other mathematical constructions, too, since it is not related in any way to the explicit form of the MB transforms.

Two-fold Mellin-Barnes transforms of Usyukina-Davydychev functions

International Nuclear Information System (INIS)

Kniehl, Bernd; Kondrashuk, Igor; Bielefeld Univ.; Notte-Cuello, Eduardo A.; Parra-Ferrada, Ivan; Rojas-Medar, Marko

2013-04-01

In our previous paper (Nucl.Phys.B 870 (2013) 243) we showed that multi-fold Mellin-Barnes (MB) transforms of the Usyukina-Davydychev (UD) functions may be reduced to two-fold MB transforms. The MB transforms were written there as polynomials of logarithms of ratios of squares of the external momenta with certain coefficients. We also showed that these coefficients have a combinatoric origin. In this paper we present an explicit formula for these coefficients. The procedure of recovering the coefficients is based on taking the double uni-form limit in certain series of smooth functions of two variables which is constructed according to a pre-determined iterative way. The result is obtained by using basic methods of mathematical analysis. We observe that the finiteness of the limit of this iterative chain of smooth functions should reflect itself in other mathematical constructions, too, since it is not related in any way to the explicit form of the MB transforms.

Comparison of Chain Conformation of Poly(vinyl alcohol) in Solutions and Melts from Quantum Chemistry Based Molecular Dynamics Simulations

Science.gov (United States)

Jaffe, Richard; Han, Jie; Matsuda, Tsunetoshi; Yoon, Do; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Confirmations of 2,4-dihydroxypentane (DHP), a model molecule for poly(vinyl alcohol), have been studied by quantum chemistry (QC) calculations and molecular dynamics (MD) simulations. QC calculations at the 6-311G MP2 level show the meso tt conformer to be lowest in energy followed by the racemic tg, due to intramolecular hydrogen bond between the hydroxy groups. The Dreiding force field has been modified to reproduce the QC conformer energies for DHP. MD simulations using this force field have been carried out for DHP molecules in the gas phase, melt, and CHCl3 and water solutions. Extensive intramolecular hydrogen bonding is observed for the gas phase and CHCl3 solution, but not for the melt or aqueous solution, Such a condensed phase effect due to intermolecular interactions results in a drastic change in chain conformations, in agreement with experiments.

Exact solution of a coupled spin–electron linear chain composed of localized Ising spins and mobile electrons

International Nuclear Information System (INIS)

Čisárová, Jana; Strečka, Jozef

2014-01-01

Exact solution of a coupled spin–electron linear chain composed of localized Ising spins and mobile electrons is found. The investigated spin–electron model is exactly solvable by the use of a transfer-matrix method after tracing out the degrees of freedom of mobile electrons delocalized over a couple of interstitial (decorating) sites. The exact ground-state phase diagram reveals an existence of five phases with different number of mobile electrons per unit cell, two of which are ferromagnetic, two are paramagnetic and one is antiferromagnetic. We have studied in particular the dependencies of compressibility and specific heat on temperature and electron density. - Highlights: • A coupled spin–electron chain composed of Ising spins and mobile electrons is exactly solved. • Quantum paramagnetic, ferromagnetic and antiferromagnetic ground states are found. • A compressibility shows a non-monotonous dependence on temperature and electron density. • Thermal dependences of specific heat display two distinct peaks

Co-evolutionary constraints of globular proteins correlate with their folding rates.

Science.gov (United States)

Mallik, Saurav; Kundu, Sudip

2015-08-04

Folding rates (lnkf) of globular proteins correlate with their biophysical properties, but relationship between lnkf and patterns of sequence evolution remains elusive. We introduce 'relative co-evolution order' (rCEO) as length-normalized average primary chain separation of co-evolving pairs (CEPs), which negatively correlates with lnkf. In addition to pairs in native 3D contact, indirectly connected and structurally remote CEPs probably also play critical roles in protein folding. Correlation between rCEO and lnkf is stronger in multi-state proteins than two-state proteins, contrasting the case of contact order (co), where stronger correlation is found in two-state proteins. Finally, rCEO, co and lnkf are fitted into a 3D linear correlation. Copyright © 2015 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

GaIn As Quantum Dots (QD) grown by Liquid Phase Epitaxy (LPE)

Energy Technology Data Exchange (ETDEWEB)

Ortiz Vazquez, F E; Mishurnyi, V A; Gorbatchev, A Yu; De Anda, F [Universidad Autonoma de San Luis Potosi, Instituto de Investigation en Comunicacion Optica, Av. Karakorum 1470, Col. Lomas 4a Sec., San Luis Potosi, SLP, CP 78210 (Mexico); Elyukhin, V A, E-mail: fcoe_ov@prodigy.net.m, E-mail: andre@cactus.iico.uaslp.m [CINVESTAV-IPN, Av. IPN 2508, Col. San Pedro Zacatenco, Mexico D.F., CP 07360 (Mexico)

2009-05-01

The majority of the semiconductor structures with QD today are grown by MBE and MOCVD. It is known that the best material quality can be achieved by LPE because, in contrast to MBE and MOCVD, this method is realized at near-equilibrium conditions. To develop QD LPE technology first of all it is necessary to find out a growth technique allowing the crystallization of epitaxial materials with very small volume. This can be done by means of different techniques. In this work we apply a low temperature short-time growth method, which allows the production not only of single, but also of multilayer heterostructures. We have grown Ga{sub x}In{sub 1-z}As QD on GaAs (100) substrates at 450 C. The details of the QD formation, depending on composition of the Ga{sub x}In{sub -x} As solid solutions, have been studied by atom-force microscopy. The photoluminescence spectra of investigated samples show, in addition to a short-wave GaAs related peak, a longer wavelength line, which disappears after removal of the grown GaInAs material using an etching solution. This fact, together with atom-force microscopy results can be interpreted as a proof that QD heterostructures were grown successfully by LPE.

Semi-crystalline photovoltaic polymers with siloxane-terminated hybrid side-chains

Institute of Scientific and Technical Information of China (English)

Yuxiang Li; Seyeong Song; Song Yi Park; Jin Young Kim; Han Young Woo

2017-01-01

Three types of semi-cry stalline photovoltaic polymers were synthesized by incorporating a siloxane-terminated organic/inorganic hybrid side-chain and changing the number of fluorine substituents.A branch point away from a polymer main backbone in the siloxane-containing side-chains and the intra-and/or interchain noncovalent coulombic interactions enhance a chain planarity and facile interchain organization.The resulting polymers formed strongly agglomerated films with high roughness,suggesting strong intermolecular interactions.The optical band gap of ca.1.7 eV was measured for all polymers with a pronounced shoulder peak due to tight π-π stacking.With increasing the fluorine substituents,the frontier energy levels decreased and preferential face-on orientation was observed.The siloxane-terminated side-chains and fluorine substitution promoted the intermolecular packing,showing well resolved lamellar scatterings up to（300） for this series of polymers in the grazing incidence wide angle X-ray scattering measurements.The PPsiDTBT,PPsiDTFBT and PPsiDT2 FBT devices showed a power conversion efficiency of 3.16%,4.40%and 5.65%,respectively,by blending with PC71BM.Langevin-type bimolecular charge recombination was similar for three polymeric solar cells.The main loss in the photocurrent generation for PPsiDTBT:PC71BM was interpreted to originate from the trap assisted charge recombination by measuring light-intensity dependent short-circuit current density(JSC) and open-circuit voltage(VOc).Our results provide a new insight into the rational selection of solubilizing substituents for optimizing crystalline interchain packing with appropriate miscibility with PC71 BM for further optimizing polymer solar cells.

Semi-crystalline photovoltaic polymers with siloxane-terminated hybrid side-chains

Institute of Scientific and Technical Information of China (English)

Yuxiang Li; Seyeong Song; Song Yi Park; Jin Young Kim; Han Young Woo

2017-01-01

Three types of semi-crystalline photovoltaic polymers were synthesized by incorporating a siloxane-terminated organic/inorganic hybrid side-chain and changing the number of fluorine substituents.A branch point away from a polymer main backbone in the siloxane-containing side-chains and the intra-and/or interchain noncovalent coulombic interactions enhance a chain planarity and facile interchain organization.The resulting polymers formed strongly agglomerated films with high roughness,suggesting strong intermolecular interactions.The optical band gap of ca.1.7 eV was measured for all polymers with a pronounced shoulder peak due to tight π-π stacking.With increasing the fluorine substituents,the frontier energy levels decreased and preferential face-on orientation was observed.The siloxane-terminated side-chains and fluorine substitution promoted the intermolecular packing,showing well resolved lamellar scatterings up to (300) for this series of polymers in the grazing incidence wide angle X-ray scattering measurements.The PPsiDTBT,PPsiDTFBT and PPsiDT2FBT devices showed a power conversion efficiency of 3.16％,4.40％ and 5.65％,respectively,by blending with PC71BM.Langevin-type bimolecular charge recombination was similar for three polymeric solar cells.The main loss in the photocurrent generation for PPsiDTBT:PC71BM was interpreted to originate from the trap assisted charge recombination by measuring light-intensity dependent short-circuit current density (Jsc) and open-circuit voltage (Voc).Our results provide a new insight into the rational selection of solubilizing substituents for optimizing crystalline interchain packing with appropriate miscibility with PC71BM for further optimizing polymer solar cells.

Diagram of states and morphologies of flexible-semiflexible copolymer chains: A Monte Carlo simulation

Energy Technology Data Exchange (ETDEWEB)

Zablotskiy, Sergey V.; Martemyanova, Julia A.; Ivanov, Viktor A. [Faculty of Physics, Moscow State University, Moscow 119991 (Russian Federation); Paul, Wolfgang [Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, Halle (Saale) 06099 (Germany)

2016-06-28

A single copolymer chain consisting of multiple flexible (F) and semiflexible (S) blocks has been studied using a continuum bead-spring model by Stochastic Approximation Monte Carlo simulations, which determine the density of states of the model. The only difference between F and S blocks is the intramolecular bending potential, all non-bonded interactions are equal. The state diagrams for this class of models display multiple nematic phases in the collapsed state, characterized through a demixing of the blocks of different stiffness and orientational ordering of the stiff blocks. We observe dumbbell-like morphologies, lamellar phases, and for the larger block lengths also Saturn-like structures with a core of flexible segments and the stiff segments forming a ring around the core.

Diagram of states and morphologies of flexible-semiflexible copolymer chains: A Monte Carlo simulation

International Nuclear Information System (INIS)

Zablotskiy, Sergey V.; Martemyanova, Julia A.; Ivanov, Viktor A.; Paul, Wolfgang

2016-01-01

A single copolymer chain consisting of multiple flexible (F) and semiflexible (S) blocks has been studied using a continuum bead-spring model by Stochastic Approximation Monte Carlo simulations, which determine the density of states of the model. The only difference between F and S blocks is the intramolecular bending potential, all non-bonded interactions are equal. The state diagrams for this class of models display multiple nematic phases in the collapsed state, characterized through a demixing of the blocks of different stiffness and orientational ordering of the stiff blocks. We observe dumbbell-like morphologies, lamellar phases, and for the larger block lengths also Saturn-like structures with a core of flexible segments and the stiff segments forming a ring around the core.

The CodY-dependent clhAB2 operon is involved in cell shape, chaining and autolysis in Bacillus cereus ATCC 14579.