Molecular reorientations in a substance with liquid-crystalline and plastic-crystalline phases

International Nuclear Information System (INIS)

Nguyen, Xuan Phuc.

1986-05-01

Results of dielectric relaxation (DR), quasielastic neutron scattering (QNS), far infrared absorption (FIR), proton magnetic resonance (PMR), differential scanning calorimetry (DSC) and preliminary X-ray diffraction measurements on the di-n-pentyloxyazoxybenzene (5.OAOB) are presented. The measurements carried out by all these methods showed that 5.OAOB exhibits a nontypical for liquid-crystalline materials phase diagram. It has two mesophases: a nematic (N) and an ''intermediate'' crystalline phase just below it. A complex interpretation of results obtained is given. All suggestions concerning the character of reorientational motions of the molecule as a whole as well as of its segments in mesomorphic phases are analyzed. From comparison of the DR and QNS studies one can conclude that in the N phase the molecule as a whole performs rotational diffusion around the long axis (τ DR ∼ 100 ps) and at the same time the two moieties perform faster independent reorientations around N - benzene rings bonds withτ QNS ∼ 5 ps. On the basis of various experimental data it is shown that the CrI phase is a plastic-crystalline phase for which the molecule and its segments perform fast stochastic unaxial reorientations. This is the first case where the existence of such a phase in liquid-crystalline materials has been experimentally confirmed. (author)

Nonlinear optics of liquid crystalline materials

International Nuclear Information System (INIS)

Khoo, Iam Choon

2009-01-01

Liquid crystals occupy an important niche in nonlinear optics as a result of their unique physical and optical properties. Besides their broadband birefringence and transparency, abilities to self-assemble into various crystalline phases and to conform to various flexible forms and shapes, liquid crystals are compatible with almost all other optoelectronic materials and technology platforms. In both isotropic and ordered phases, liquid crystals possess extraordinarily large optical nonlinearities that stretch over multiple time scales. To date, almost all conceivable nonlinear optical phenomena have been observed in a very broad spectrum spanning the entire visible to infrared and beyond. In this review, we present a self-contained complete discussion of the optical nonlinearities of liquid crystals, and a thorough review of a wide range of nonlinear optical processes and phenomena enabled by these unique properties. Starting with a brief historical account of the development of nonlinear optical studies of the mesophases of liquid crystals, we then review various liquid crystalline materials and structures, and their nonlinear optical properties. Emphasis is placed on the nematic phase, which best exemplifies the dual nature of liquid crystals, although frequent references to other phases are also made. We also delve into recent work on novel structures such as photonic crystals, metamaterials and nanostructures and their special characteristics and emergent properties. The mechanisms and complex nonlocal dynamics of optical nonlinearities associated with laser induced director axis reorientation, thermal, density, and order parameter fluctuations, space charge field formation and photorefractivity are critically reviewed as a foundation for the discussions of various nonlinear optical processes detailed in this paper

Liquid Crystalline Semiconductors Materials, properties and applications

CERN Document Server

Kelly, Stephen; O'Neill, Mary

2013-01-01

This is an exciting stage in the development of organic electronics. It is no longer an area of purely academic interest as increasingly real applications are being developed, some of which are beginning to come on-stream. Areas that have already been commercially developed or which are under intensive development include organic light emitting diodes (for flat panel displays and solid state lighting), organic photovoltaic cells, organic thin film transistors (for smart tags and flat panel displays) and sensors. Within the family of organic electronic materials, liquid crystals are relative newcomers. The first electronically conducting liquid crystals were reported in 1988 but already a substantial literature has developed. The advantage of liquid crystalline semiconductors is that they have the easy processability of amorphous and polymeric semiconductors but they usually have higher charge carrier mobilities. Their mobilities do not reach the levels seen in crystalline organics but they circumvent all of t...

Phosphoric acids as amplifiers of molecular chirality in liquid crystalline media

NARCIS (Netherlands)

Eelkema, R; Feringa, BL

2006-01-01

A new system for the double amplification of the molecular chirality of simple chiral amines in achiral liquid crystalline media is described. It involves a conformationally flexible phosphoric acid based receptor that by binding to chiral amines induces chirality in the liquid crystalline matrix.

Liquid Crystalline Perylene diimides : Architecture and Charge Carrier Mobilities

NARCIS (Netherlands)

Struijk, C.W.; Sieval, A.B.; Dakhorst, J.E.J.; Dijk, van M.; Kimkes, P.; Koehorst, R.B.M.; Donker, H.

2000-01-01

The phase behavior of three N-alkyl-substituted perylene diimide derivatives is examined by differential scanning calorimetry and polarized optical microscopy. The occurrence of multiple phase transitions indicates several crystalline and several liquid crystalline phases. X-ray diffraction

Temperature-Responsive Luminescent Solar Concentrators: Tuning Energy Transfer in a Liquid Crystalline Matrix.

Science.gov (United States)

Sol, Jeroen A H P; Dehm, Volker; Hecht, Reinhard; Würthner, Frank; Schenning, Albertus P H J; Debije, Michael G

2018-01-22

Temperature-responsive luminescent solar concentrators (LSCs) have been fabricated in which the Förster resonance energy transfer (FRET) between a donor-acceptor pair in a liquid crystalline solvent can be tuned. At room temperatures, the perylene bisimide (PBI) acceptor is aggregated and FRET is inactive; while after heating to a temperature above the isotropic phase of the liquid crystal solvent, the acceptor PBI completely dissolves and FRET is activated. This unusual temperature control over FRET was used to design a color-tunable LSC. The device has been shown to be highly stable towards consecutive heating and cooling cycles, making it an appealing device for harvesting otherwise unused solar energy. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Liquid crystalline solutions of cellulose in phosphoric acid for preparing cellulose yarns

NARCIS (Netherlands)

Boerstoel, H.

2006-01-01

The presen thesis describes a new process for manufacturing high tenacity and high modulus cellulose yarns. A new direct solvent for cellulose has been discovered, leading to liquid crystalline solutions. This new solvent, superphosphoric acid, rapidly dissolves cellulose. These liquid crystalline

Liquid crystalline biopolymers: A new arena for liquid crystal research

International Nuclear Information System (INIS)

Rizvi, Tasneem Zahra

2001-07-01

This paper gives a brief introduction to liquid crystals on the basis of biopolymers and reviews literature on liquid crystalline behaviour of biopolymers both in vitro and in vivo in relation to their implications in the fields of biology, medicine and material science. Knowledge in the field of biological liquid crystals is crucial for understanding complex phenomena at supramolecular level which will give information about processes involved in biological organization and function. The understanding of the interaction of theses crystals with electric, magnetic, optical and thermal fields will uncover mechanisms of near quantum-energy detection capabilities of biosystems

Liquid crystalline order of carbon nanotubes

Science.gov (United States)

Georgiev, Georgi; Ahlawat, Aditya; Mulkern, Brian; Doyle, Robert; Mongeau, Jennifer; Ogilvie, Alex

2007-03-01

Topological defects formed during phase transitions in liquid crystals provide a direct proof of the standard Cosmological model and are direct links to the Early Universe. On the other hand in Nanotechnology, carbon nanotubes can be manipulated and oriented directly by changing the liquid crystalline state of the nanotubes, in combination with organic liquid crystals. Currently there are no nano-assemblers, which makes the liquid crystal state of the nanotubes, one of the few ways of controlling them. We show the design of a fast and efficient polarized light ellipsometric system (a new modification of previous optical systems) that can provide fast quantitative real time measurements in two dimensions of the formation of topological defects in liquid crystals during phase transitions in lab settings. Our aim is to provide fundamental information about the formation of optically anisotropic structures in liquid crystals and the orientation of carbon nanotubes in electric field.

Dicyanamide Salts that Adopt Smectic, Columnar, or Bicontinuous Cubic Liquid-Crystalline Mesophases.

Science.gov (United States)

Park, Geonhui; Goossens, Karel; Shin, Tae Joo; Bielawski, Christopher W

2018-04-25

Although dicyanamide (i.e., [N(CN) 2 ] - ) has been commonly used to obtain low-viscosity, halogen-free, room-temperature ionic liquids, liquid-crystalline salts containing such anions have remained virtually unexplored. Here we report a series of amphiphilic dicyanamide salts that, depending on their structures and compositions, adopt smectic, columnar, or bicontinuous cubic thermotropic liquid-crystalline mesophases, even at room temperature in some cases. Their thermal properties were explored by polarized light optical microscopy, differential scanning calorimetry, thermogravimetric analysis (including evolved gas analysis), and variable-temperature synchrotron X-ray diffraction. Comparison of the thermal phase characteristics of these new liquid-crystalline salts featuring "V-shaped" [N(CN) 2 ] - anions with those of structural analogues containing [SCN] - , [BF 4 ] - , [PF 6 ] - , or [CF 3 SO 3 ] - anions indicated that not only the size of the counterion but also its shape should be considered in the development of mesomorphic salts. Collectively, these discoveries may be expected to facilitate the design of thermotropic ionic liquid crystals that form inverted-type bicontinuous cubic and other sophisticated liquid-crystalline phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cross-Linked Liquid Crystalline Systems From Rigid Polymer Networks to Elastomers

CERN Document Server

Broer, Dirk

2011-01-01

With rapidly expanding interest in liquid crystalline polymers and elastomers among the liquid crystal community, researchers are currently exploring the wide range of possible application areas for these unique materials, including optical elements on displays, tunable lasers, strain gauges, micro-structures, and artificial muscles. Written by respected scientists from academia and industry around the world, who are not only active in the field but also well-known in more traditional areas of research, "Cross-Linked Liquid Crystalline Systems: From Rigid Polymer Networks to Elastomers&qu

Photo-responsive liquid crystalline epoxy networks with exchangeable disulfide bonds

Energy Technology Data Exchange (ETDEWEB)

Li, Yuzhan [Washington State Univ., Pullman, WA (United States); Zhang, Yuehong [Washington State Univ., Pullman, WA (United States); Rios, Orlando [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Keum, Jong K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kessler, Michael R. [Washington State Univ., Pullman, WA (United States); North Dakota State Univ., Fargo, ND (United States)

2017-07-27

The increasing demand for intelligent materials has driven the development of polymers with a variety of functionalities. However, combining multiple functionalities within one polymer is still challenging because of the difficulties encountered in coordinating different functional building blocks during fabrication. In this work, we demonstrate the fabrication of a multifunctional liquid crystalline epoxy network (LCEN) using the combination of thermotropic liquid crystals, photo-responsive azobenzene molecules, and exchangeable disulfide bonds. In addition to shape memory behavior enabled by the reversible liquid crystalline phase transition and photo-induced bending behavior resulting from the photo-responsive azobenzene molecules, the introduction of dynamic disulfide bonds into the LCEN resulted in a structurally dynamic network, allowing the reshaping, repairing, and recycling of the material.

Polymer and Polymer Gel of Liquid Crystalline Semiconductors

Institute of Scientific and Technical Information of China (English)

Teppei Shimakawa; Naoki Yoshimoto; Jun-ichi Hanna

2004-01-01

It prepared a polymer and polymer gel of a liquid crystalline (LC) semiconductor having a 2-phenylnaphthalene moiety and studied their charge carrier transport properties by the time-of-flight technique. It is found that polyacrylate having the mesogenic core moiety of 2-phenylnaphtalene (PNP-acrylate) exhibited a comparable mobility of 10-4cm2/Vs in smectic A phase to those in smectic A (SmA) phase of small molecular liquid crystals with the same core moiety, e.g., 6-(4'-octylphenyl)- 2-dodecyloxynaphthalene (8-PNP-O12), and an enhanced mobility up to 10-3cm2/Vs in the LC-glassy phase at room temperature, when mixed with a small amount of 8-PNP-O12. On the other hand, the polymer gel consisting of 20 wt %-hexamethylenediacrylate (HDA)-based cross-linked polymer and 8-PNP-O12 exhibited no degraded mobility when cross-linked at the mesophase. These results indicate that the polymer and polymer composite of liquid crystalline semiconductors provide us with an easy way to realize a quality organic semiconductor thin film for the immediate device applications.

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.

Thermotropic liquid crystalline polyesters derived from 2-chloro ...

Indian Academy of Sciences (India)

NAGESH MANURKAR

2017-08-24

Aug 24, 2017 ... extremely useful for various applications including fab- rication of numerous ... In another flask, sodium hydroxide (4.4 g, 0.11 mole) was dissolved in 50 ..... relationships of smectic liquid crystalline polyacrylates as revealed by ...

Liquid crystalline fiber optic colorimeter for hydrostatic pressure measurement

Science.gov (United States)

Wolinski, Tomasz R.; Bajdecki, Waldemar K.; Domanski, Andrzej W.; Karpierz, Miroslaw A.; Konopka, Witold; Nasilowski, T.; Sierakowski, Marek W.; Swillo, Marcin; Dabrowski, Roman S.; Nowinowski-Kruszelnicki, Edward; Wasowski, Janusz

2001-08-01

This paper presents results of tests performed on a fiber optic system of liquid crystalline transducer for hydrostatic pressure monitoring based on properties of colorimetry. The system employs pressure-induced deformations occurring in liquid crystalline (LC) cells configured in a homogeneous Frederiks geometry. The sensor is compared of a round LC cell placed inside a specially designed pressure chamber. As a light source we used a typical diode operating at red wavelength and modulated using standard techniques. The pressure transducer was connected to a computer with a specially designed interface built on the bas of advanced ADAM modules. Results indicate that the system offers high response to pressure with reduced temperature sensitivity and, depending on the LC cell used, can be adjusted for monitoring of low hydrostatic pressures up to 6 MPa. These studies have demonstrated the feasibility of fiber optic liquid crystal colorimeter for hydrostatic pressure sensing specially dedicated to pipe- lines, mining instrumentation, and process-control technologies.

Rotational reorganization of doped cholesteric liquid crystalline films

NARCIS (Netherlands)

Eelkema, R.; M. Pollard, M.; Katsonis, N.; Vicario, J.; J. Broer, D.; Feringa, B.L.

2006-01-01

In this paper an unprecedented rotational reorganization of cholesteric liquid crystalline films is described. This rotational reorganization results from the conversion of a chiral molecular motor dopant to an isomer with a different helical twisting power, leading to a change in the cholesteric

Electric-field triggered controlled release of bioactive volatiles from imine-based liquid crystalline phases.

Science.gov (United States)

Herrmann, Andreas; Giuseppone, Nicolas; Lehn, Jean-Marie

2009-01-01

Application of an electric field to liquid crystalline film forming imines with negative dielectric anisotropy, such as N-(4-methoxybenzylidene)-4-butylaniline (MBBA, 1), results in the expulsion of compounds that do not participate in the formation of the liquid crystalline phase. Furthermore, amines and aromatic aldehydes undergo component exchange with the imine by generating constitutional dynamic libraries. The strength of the electric field and the duration of its application to the liquid crystalline film influence the release rate of the expelled compounds and, at the same time, modulate the equilibration of the dynamic libraries. The controlled release of volatile organic molecules with different chemical functionalities from the film was quantified by dynamic headspace analysis. In all cases, higher headspace concentrations were detected in the presence of an electric field. These results point to the possibility of using imine-based liquid crystalline films to build devices for the controlled release of a broad variety of bioactive volatiles as a direct response to an external electric signal.

Liquid crystalline polymers IX Main chain thermotropic poly (azomethine – ethers containing thiazole moiety linked with polymethylene spacers

Directory of Open Access Journals (Sweden)

2007-04-01

Full Text Available A new homologous series of thermally stable thermotropic liquid crystalline poly(azomethine-ethers based on thiazole moiety were synthesized by solution polycondensation of 4,4`-diformyl-α,ω-diphenoxyalkanes, I–IV or 4,4`-diformyl-2,2`-dimethoxy-α,ω-diphenoxyalkanes V–VIII with the new bis(2-aminothiazole monomer X. A model compound XI was synthesized from X with benzaldehyde and characterized by elemental and spectral analyses. The inherent viscosities of the resulting polymers were in the range 0.43–1.34 dI/g. All the poly(azomethine-ethers were insoluble in common organic solvents but dissolved completely in concentrated H2SO4 and formic acid. The mesomorphic properties of these polymers were studied as a function of the diphenoxyalkane space length. Their thermotropic liquid crystalline properties were examined by DSC and optical polarizing microscopy and demonstrated that the resulting polymers form nematic mesophases over wide temperature ranges. The thermogravimetric analyses of those polymers were evaluated by TGA and DSC measurements and correlated to their structural units. X-ray analysis showed that polymers having some degree of crystallinity in the region 2θ = 5–60°. In addition, the morphological properties of selected examples were tested by scanning electron microscopy.

Self-assembly of azobenzene based side-chain liquid crystalline ...

Indian Academy of Sciences (India)

The polymeric complexes acquitted as undivided liquid crystalline properties ... India) methanol and other solvents were purified by .... mixture was warmed to room temperature and stirred ... Polymer is soluble in DMF, CHCl3, CH2Cl2 and.

Sol-Gel synthesis of MgO-SiO2 glass compositions having stable liquid-liquid immiscibility

Science.gov (United States)

Bansal, Narottam P.

1987-01-01

MgO-SiO2 glasses containing up to 15 mol % MgO, which could not have been prepared by the conventional glass melting method due to the presence of stable liquid-liquid immiscibility, were synthesized by the sol-gel technique. Clear and transparent gels were obtained from the hydrolysis and polycondensation of silicon tetraethoxide (TEOS) and magnesium nitrate hexahydrate when the water/TEOS mole ratio was four or more. The gelling time decreased with increase in magnesium content, water/TEOS ratio, and reaction temperature. Magnesium nitrate hexahydrate crystallized out of the gels containing 15 and 20 mol % MgO on slow drying. This problem was partially alleviated by drying the gels quickly at higher temperatures. Monolithic gel samples were prepared using glycerol as the drying control additive. The gels were subjected to various thermal treatments and characterized by several methods. No organic groups could be detected in the glasses after heat treatments to approx. 800 C, but trace amounts of hydroxyl groups were still present. No crystalline phase was found from X-ray diffraction in the gel samples to approx. 890 C. At higher temperatures, alpha quartz precipitated out as the crystalline phase in gels containing up to 10 mol % MgO. The overall activation energy for gel formation in 10MgO-90SiO2 (mol %) system for water/TEOS mole ratio of 7.5 was calculated to be 58.7 kJ/mol.

Effects of alkaline or liquid-ammonia treatment on crystalline cellulose: changes in crystalline structure and effects on enzymatic digestibility

Directory of Open Access Journals (Sweden)

Himmel Michael E

2011-10-01

Full Text Available Abstract Background In converting biomass to bioethanol, pretreatment is a key step intended to render cellulose more amenable and accessible to cellulase enzymes and thus increase glucose yields. In this study, four cellulose samples with different degrees of polymerization and crystallinity indexes were subjected to aqueous sodium hydroxide and anhydrous liquid ammonia treatments. The effects of the treatments on cellulose crystalline structure were studied, in addition to the effects on the digestibility of the celluloses by a cellulase complex. Results From X-ray diffractograms and nuclear magnetic resonance spectra, it was revealed that treatment with liquid ammonia produced the cellulose IIII allomorph; however, crystallinity depended on treatment conditions. Treatment at a low temperature (25°C resulted in a less crystalline product, whereas treatment at elevated temperatures (130°C or 140°C gave a more crystalline product. Treatment of cellulose I with aqueous sodium hydroxide (16.5 percent by weight resulted in formation of cellulose II, but also produced a much less crystalline cellulose. The relative digestibilities of the different cellulose allomorphs were tested by exposing the treated and untreated cellulose samples to a commercial enzyme mixture (Genencor-Danisco; GC 220. The digestibility results showed that the starting cellulose I samples were the least digestible (except for corn stover cellulose, which had a high amorphous content. Treatment with sodium hydroxide produced the most digestible cellulose, followed by treatment with liquid ammonia at a low temperature. Factor analysis indicated that initial rates of digestion (up to 24 hours were most strongly correlated with amorphous content. Correlation of allomorph type with digestibility was weak, but was strongest with cellulose conversion at later times. The cellulose IIII samples produced at higher temperatures had comparable crystallinities to the initial cellulose I

Liquid crystalline thermosetting polymers as protective coatings for aerospace

NARCIS (Netherlands)

Guerriero, G.L.

2012-01-01

Environmental regulations are driving the development of new aerospace coating systems, mainly to eliminate chromates and reduce volatile organic compound (VOC) emissions. Among the various potential options for new coating materials, liquid crystalline polymers (LCPs) are attractive due to their

Investigations on the liquid crystalline phases of cation-induced ...

Indian Academy of Sciences (India)

liquid crystalline phases of Li–DNA system could be useful in the production of ... undergo unidirectional ordering (the solution starts to become birefringent under ... was spread over the glass slides with a cover slip and sealed with a neutral ...

Electric properties of a liquid crystalline methacrylic polymer

International Nuclear Information System (INIS)

Gonzalez Henriquez, C.M.; Soto Bustamante, E.A.; Haase, W.

2009-01-01

The formation of a liquid crystalline polymer called PM6R8 is reported. The polymers were obtained with different concentration of AIBN as initiator (0.25, 0.50, 1 and 2mg in 5ml solution) and time of reaction (24, 36 and 48 hours). The compounds were characterized by 1 H-NMR, differential thermal analysis (DTA), X-ray diffractometer and pyroelectric measurements. For the polymer a smectic C 2 phase occurs over broad temperature range, which is a possible explanation for the electric signal. The arrangement of the molecules within of the crystalline lattice is related with the kinetic of precipitation. (author)

Interest of neutron scattering for the investigation of liquid-crystalline polymers

International Nuclear Information System (INIS)

Noirez, L.

1994-01-01

Small-angle Neutron scattering is the unique method which allows the determination of polymer conformation in the bulk state. This method has been applied to several kinds of liquid crystalline polymers. Results concerning side-chain liquid-crystal polymer, main-chain liquid-crystal polymer and combined liquid-crystal polymers, are reported. It is shown that the polymer conformation is largely dependent on the insertion site of the liquid crystal molecule and of the structure of the meso-phase. (author). 11 refs

Induction of Liquid Crystallinity by Self-Assembled Molecular Boxes

NARCIS (Netherlands)

Piermattei, A.; Giesbers, M.; Marcelis, A.T.M.; Mendes, E.; Picken, S.J.; Crego-Calama, M.; Reinhoudt, D.N.

2006-01-01

In a hierarchical process, three molecules of a calix[4]arene (blue) and six of barbituric or cyanuric acid (green) assemble into double-rosette boxes, which assemble into columns, which in turn assemble into columnar liquid-crystalline phases (see picture). The resulting mesophases have a

Bicontinuous cubic liquid crystalline nanoparticles for oral delivery of Doxorubicin

DEFF Research Database (Denmark)

Swarnakar, Nitin K; Thanki, Kaushik; Jain, Sanyog

2014-01-01

PURPOSE: The present study explores the potential of bicontinous cubic liquid crystalline nanoparticles (LCNPs) for improving therapeutic potential of doxorubicin. METHODS: Phytantriol based Dox-LCNPs were prepared using hydrotrope method, optimized for various formulation components, process...

Liquid phase and supercooled liquid phase welding of bulk metallic glasses

International Nuclear Information System (INIS)

Kawamura, Y.

2004-01-01

Recent progress on welding in bulk metallic glasses (BMGs) has been reviewed. BMGs have been successfully welded to BMGs or crystalline metals by liquid phase welding using explosion, pulse-current and electron-beam methods, and by supercooled liquid phase welding using friction method. Successful welding of the liquid phase methods was due to the high glass-forming ability of the BMGs and the high concentration of welding energy in these methods. In contrast, the supercooled liquid phase welding was successful due to the thermally stable supercooled liquid state of the BMGs and the superplasticity and viscous flow of the supercooled liquid. The successful welding of BMGs to BMGs and crystalline materials is promising for the future development of BMGs as engineering materials

Thermotropic liquid crystalline polyazomethine nanocomposites via in situ interlayer polymerization

International Nuclear Information System (INIS)

Min, Ungki; Chang, Jin-Hae

2011-01-01

Highlights: → Nanocomposites of polyazomethine with the organoclay C 12 -MMT were synthesized by using the in situ interlayer polymerization method. → The thermal properties of the polyazomethine hybrids increase with the addition of the organoclay up to a critical content and then decrease with further organoclay loading. → Liquid crystalline compositions with 0-9 wt% organoclay have threaded Schlieren nematic textures. - Abstract: Nanocomposites of polyazomethine (PAM) with the organoclay C 12 -MMT were synthesized by using the in situ interlayer polymerization method. The variations with organoclay content of the thermal properties, morphology, and liquid crystalline mesophases of the hybrids were determined for concentrations from 0 to 9 wt% C 12 -MMT. The thermal properties and the morphologies of the PAM nanocomposites were examined by using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), wide angle X-ray diffractometry (XRD), transmission electron microscopy (TEM), and polarizing optical microscopy (POM). The XRD analysis and TEM micrographs show that the levels of nanosize dispersion can be controlled by varying the C 12 -MMT content. The clay particles are better dispersed in the matrix polymer at low clay contents than at high clay contents. With the exception of the glass transition temperature (T g ), the maximum enhancement in the thermal properties was found to arise at an organoclay content of 1 wt%. Further, the PAM hybrids were shown to exhibit a nematic liquid crystalline phase for organoclay contents in the range 0-9 wt%.

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.

Structural studies of different types of ferroelectric liquid crystalline substances

Czech Academy of Sciences Publication Activity Database

Obadović, D.Ž.; Stojanović, M.; Bubnov, Alexej; Éber, N.; Cvetinov, M.; Vajda, A.

2011-01-01

Roč. 35, č. 1 (2011), s. 3-13 ISSN 1450-7404 R&D Projects: GA AV ČR IAA100100911; GA AV ČR(CZ) GA202/09/0047; GA ČR(CZ) GAP204/11/0723 Grant - others:RFASI(RU) 02.740.11.5166 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectric liquid crystals * phase transition * structure of liquid crystalline phases * molecular parameters Subject RIV: BM - Solid Matter Physics ; Magnetism

Synergy in lipofection by cationic lipid mixtures: superior activity at the gel-liquid crystalline phase transition.

Science.gov (United States)

Koynova, Rumiana; Wang, Li; MacDonald, Robert C

2007-07-12

Some mixtures of two cationic lipids including phospholipid compounds (O-ethylphosphatidylcholines) as well as common, commercially available cationic lipids, such as dimethylammonium bromides and trimethylammonium propanes, deliver therapeutic DNA considerably more efficiently than do the separate molecules. In an effort to rationalize this widespread "mixture synergism", we examined the phase behavior of the cationic lipid mixtures and constructed their binary phase diagrams. Among a group of more than 50 formulations, the compositions with maximum delivery activity resided unambiguously in the solid-liquid crystalline two-phase region at physiological temperature. Thus, the transfection efficacy of formulations exhibiting solid-liquid crystalline phase coexistence is more than 5 times higher than that of formulations in the gel (solid) phase and over twice that of liquid crystalline formulations; phase coexistence occurring at physiological temperature thus appears to contribute significantly to mixture synergism. This relationship between delivery activity and physical property can be rationalized on the basis of the known consequences of lipid-phase transitions, namely, the accumulation of defects and increased disorder at solid-liquid crystalline phase boundaries. Packing defects at the borders of coexisting solid and liquid crystalline domains, as well as large local density fluctuations, could be responsible for the enhanced fusogenicity of mixtures. This study leads to the important conclusion that manipulating the composition of the lipid carriers so that their phase transition takes place at physiological temperature can enhance their delivery efficacy.

Liquid crystalline polymer nanocomposites reinforced with in-situ reduced graphene oxide

Directory of Open Access Journals (Sweden)

D. Pedrazzoli

2015-08-01

Full Text Available In this work liquid-crystalline polymer (LCP nanocomposites reinforced with in-situ reduced graphene oxide are investigated. Graphene oxide (GO was first synthesized by the Hummers method, and the kinetics of its thermal reduction was assessed. GO layers were then homogeneously dispersed in a thermotropic liquid crystalline polymer matrix (Vectran®, and an in-situ thermal reduction of GO into reduced graphene oxide (rGO was performed. Even at low rGO amount, the resulting nanocomposites exhibited an enhancement of both the mechanical properties and the thermal stability. Improvements of the creep stability and of the thermo-mechanical behavior were also observed upon nanofiller incorporation. Furthermore, in-situ thermal reduction of the insulating GO into the more electrically conductive rGO led to an important surface resistivity decrease in the nanofilled samples.

Langmuir-Blodgett films prepared from pre-formed cholestanic liquid-crystalline polymers

Energy Technology Data Exchange (ETDEWEB)

Tundo, P.; Hodge, P.; Valli, L.; Davis, F. (Venice Univ. (Italy). Dip. di Scienze Ambientali Lecce Univ. (Italy). Dip. di Scienza dei Materiali Manchester Univ. (United Kingdom). Dep. of Chemistry)

1992-01-01

A series of alternating copolymers of maleic anhydride and a-olefins functionalized through different alkyl chains with cholestanic groups were synthetised and derivatives prepared by reactions of the anhydride residues with methanol, water, dimethylamine and morpholine, respectively. The same starting functionalized a-olefins were used to prepare other suitable compounds in order to correlate the features of the liquid-crystalline behaviour of the mesogenic cholestanic group with the stability of the forthcoming polymeric or not polymeric Langmuir-Blodgett (LB) films. For some copolymers surface pressure against area per molecule isotherms are reported. In some multilayer (LB) films, the spacings between the layers were determined by the detection of BRAGG peaks by X-ray diffraction. The (LB) films of these polymers are closed packed, owing to either the polymeric skeleton or liquid-crystalline interaction.

Liquid structure as a guide for phase stability in the solid state: Discovery of a stable compound in the Au-Si alloy system

International Nuclear Information System (INIS)

Tasci, Emre S.; Sluiter, Marcel H.F.; Pasturel, Alain; Villars, Pierre

2010-01-01

A new crystalline ground state was discovered in the Au-Si system through first-principles electronic structure calculations. The new structure was found using the experimentally and theoretically determined local atomic structure in the liquid as a guide for the solid state. Local atomic structure in the liquid was matched with that for all known crystal structures as compiled in the Pauling File structural database. The best matching crystalline structures were then explicitly calculated using first-principles methods. Most candidate crystal structures were found to be close, but above the enthalpy of a composition weighted average of the face-centered cubic Au and diamond structure Si terminal phases, but one crystal structure was more stable than the terminal phases by about 10 meV atom -1 at T = 0 K. As first-principles simulations of local structure are feasible for most liquid alloys, the present methodology is applicable to other alloys lying near a eutectic composition.

Induction of liquid crystallinity of by self-assembled molecular boxes

NARCIS (Netherlands)

Piermattei, A.; Giesbers, Marcel; Marcelis, Antonius T.M.; Mendes, Eduardo; Picken, Stephen J.; Crego Calama, Mercedes; Reinhoudt, David

2006-01-01

Jewel-box: In a hierarchical process, three molecules of a calix[4]arene (blue) and six of barbituric or cyanuric acid (green) assemble into double-rosette boxes, which assemble into columns, which in turn assemble into columnar liquid-crystalline phases (see picture). The resulting mesophases have

Shape-memory effect of nanocomposites based on liquid-crystalline elastomers

Science.gov (United States)

Marotta, A.; Lama, G. C.; Gentile, G.; Cerruti, P.; Carfagna, C.; Ambrogi, V.

2016-05-01

In this work, nanocomposites based on liquid crystalline (LC) elastomers were prepared and characterized in their shape memory properties. For the synthesis of materials, p-bis(2,3-epoxypropoxy)-α-methylstilbene (DOMS) was used as mesogenic epoxy monomer, sebacic acid (SA) as curing agent and multi-walled carbon nanotubes (MWCNT) and graphene oxide (GO) as fillers. First, an effective compatibilization methodology was set up to improve the interfacial adhesion between the matrix and the carbonaceous nanofillers, thus obtaining homogeneous distribution and dispersion of the nanofillers within the polymer phase. Then, the obtained nanocomposite films were characterized in their morphological and thermal properties. In particular, the effect of the addition of the nanofillers on liquid crystalline behavior, as well as on shape-memory properties of the realized materials was investigated. It was found that both fillers were able to enhance the thermomechanical response of the LC elastomers, making them good candidates as shape memory materials.

Synthesis and characterization of novel side-chain liquid crystalline polycarbonates, 4 - Synthesis of side-chain liquid crystalline polycarbonates with mesogenic groups having tails of different lengths

NARCIS (Netherlands)

Jansen, J.C.; Addink, R.; Nijenhuis, K.T.; Mijs, W.J.

1999-01-01

Side-chain liquid crystalline polycarbonates with alkoxyphenylbenzoate side groups, having a short spacer and tails ranging from 1 to 8 C-atoms, were synthesized. The polymers were prepared by an organo-zinc catalysed copolymerization of carbon dioxide and mesogenic 4-alkoxyphenyl

Liquid crystalline epoxy nanocomposite material for dental application

Directory of Open Access Journals (Sweden)

Yun-Yuan Tai

2015-01-01

Conclusion: The microhardness of the bracket-like blocks made by our new material is superior to the commercially available brackets, even after thermocycling. Our results indicate that the evaluated liquid crystalline epoxy nanocomposite materials are of an appropriate quality for application in dental core and post systems and in various restorations. By applying technology to refine manufacturing processes, these new materials could also be used to fabricate esthetic brackets for orthodontic treatment.

Lyotropic liquid crystalline phase behaviour in amphiphile-protic ionic liquid systems.

Science.gov (United States)

Chen, Zhengfei; Greaves, Tamar L; Fong, Celesta; Caruso, Rachel A; Drummond, Calum J

2012-03-21

Approximate partial phase diagrams for nine amphiphile-protic ionic liquid (PIL) systems have been determined by synchrotron source small angle X-ray scattering, differential scanning calorimetry and cross polarised optical microscopy. The binary phase diagrams of some common cationic (hexadecyltrimethyl ammonium chloride, CTAC, and hexadecylpyridinium bromide, HDPB) and nonionic (polyoxyethylene (10) oleyl ether, Brij 97, and Pluronic block copolymer, P123) amphiphiles with the PILs, ethylammonium nitrate (EAN), ethanolammonium nitrate (EOAN) and diethanolammonium formate (DEOAF), have been studied. The phase diagrams were constructed for concentrations from 10 wt% to 80 wt% amphiphile, in the temperature range 25 °C to >100 °C. Lyotropic liquid crystalline phases (hexagonal, cubic and lamellar) were formed at high surfactant concentrations (typically >50 wt%), whereas at thermal stability of the phases formed by these surfactants persisted to temperatures above 100 °C. The phase behaviour of amphiphile-PIL systems was interpreted by considering the PIL cohesive energy, liquid nanoscale order, polarity and ionicity. For comparison the phase behaviour of the four amphiphiles was also studied in water.

Liquid-like thermal conduction in intercalated layered crystalline solids

Science.gov (United States)

Li, B.; Wang, H.; Kawakita, Y.; Zhang, Q.; Feygenson, M.; Yu, H. L.; Wu, D.; Ohara, K.; Kikuchi, T.; Shibata, K.; Yamada, T.; Ning, X. K.; Chen, Y.; He, J. Q.; Vaknin, D.; Wu, R. Q.; Nakajima, K.; Kanatzidis, M. G.

2018-03-01

As a generic property, all substances transfer heat through microscopic collisions of constituent particles1. A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations2,3. As a result, a solid is usually thermally more conductive than a liquid. In canonical viewpoints, such a difference also serves as the dynamic signature distinguishing a solid from a liquid. Here, we report liquid-like thermal conduction observed in the crystalline AgCrSe2. The transverse acoustic phonons are completely suppressed by the ultrafast dynamic disorder while the longitudinal acoustic phonons are strongly scattered but survive, and are thus responsible for the intrinsically ultralow thermal conductivity. This scenario is applicable to a wide variety of layered compounds with heavy intercalants in the van der Waals gaps, manifesting a broad implication on suppressing thermal conduction. These microscopic insights might reshape the fundamental understanding on thermal transport properties of matter and open up a general opportunity to optimize performances of thermoelectrics.

White emission from liquid-crystalline copolymers containing oxadiazole moieties in the side chain

Science.gov (United States)

Kawamoto, Masuki; Tsukamoto, Takuji; Kinoshita, Motoi; Ikeda, Tomiki

2006-09-01

A liquid-crystalline polymer in the side chain was synthesized through copolymerization of a bipolar carrier-transporting monomer with a liquid-crystalline monomer containing oxadiazole moieties substituted with trifluoromethyl groups. A single-layer light-emitting diode of indium tin oxide (ITO)/copolymer/MgAg emitted white light with a maximum luminous efficiency of 0.1cd/A. The origin of the white emission in the copolymer is the electroplex between bipolar carrier-transporting moieties and strong electron-withdrawing moieties. Furthermore, a simple multilayer device with configuration of ITO/poly(3,4-ethylenedioxythiophene)/poly(styrenesulfonic acid)/copolymer/MgAg device showed white emission with CIE 1931 chromaticity coordinates (x,y): (0.30, 0.33).

Novel biphotonic holographic storage in a side-chain liquid crystalline polyester

DEFF Research Database (Denmark)

Ramanujam, P.S.; Hvilsted, S.; Andruzzi, F.

1993-01-01

We report novel biphotonic holographic storage of text and gratings on unoriented films of a side-chain liquid crystalline polyester capable of high density storage and complete erasure. The holograms have a typical size of 1 mm. The recording utilizes unusual photochemistry involving azo dye...

Side-chain liquid-crystalline polyesters for optical information storage

DEFF Research Database (Denmark)

Hvilsted, Søren; Andruzzi, F.; Ramanujam, P.S.

1992-01-01

We report erasable holographic recording with a resolution of at least 2500 lines/mm on unoriented films of side-chain liquid-crystalline polyesters. Recording energies of approximately 1 J/cm2 have been used. We have obtained a diffraction efficiency of approximately 30% with polarization record...... recording of holograms. The holograms can be erased by heating them to approximately 80-degrees-C for approximately 2 min and are available for rerecording....

Side-chain liquid crystalline polyesters for optical information storage

DEFF Research Database (Denmark)

Ramanujam, P.S.; Holme, Christian; Hvilsted, Søren

1996-01-01

and holographic storage in one particular polyester are described in detail and polarized Fourier transform infrared spectroscopic data complementing the optical data are presented. Optical and atomic force microscope investigations point to a laser-induced aggregation as responsible for permanent optical storage.......Azobenzene side-chain liquid crystalline polyester structures suitable for permanent optical storage are described. The synthesis and characterization of the polyesters together with differential scanning calorimetry and X-ray investigations are discussed. Optical anisotropic investigations...

Biphenyl liquid crystalline epoxy resin as a low-shrinkage resin-based dental restorative nanocomposite.

Science.gov (United States)

Hsu, Sheng-Hao; Chen, Rung-Shu; Chang, Yuan-Ling; Chen, Min-Huey; Cheng, Kuo-Chung; Su, Wei-Fang

2012-11-01

Low-shrinkage resin-based photocurable liquid crystalline epoxy nanocomposite has been investigated with regard to its application as a dental restoration material. The nanocomposite consists of an organic matrix and an inorganic reinforcing filler. The organic matrix is made of liquid crystalline biphenyl epoxy resin (BP), an epoxy resin consisting of cyclohexylmethyl-3,4-epoxycyclohexanecarboxylate (ECH), the photoinitiator 4-octylphenyl phenyliodonium hexafluoroantimonate and the photosensitizer champhorquinone. The inorganic filler is silica nanoparticles (∼70-100 nm). The nanoparticles were modified by an epoxy silane of γ-glycidoxypropyltrimethoxysilane to be compatible with the organic matrix and to chemically bond with the organic matrix after photo curing. By incorporating the BP liquid crystalline (LC) epoxy resin into conventional ECH epoxy resin, the nanocomposite has improved hardness, flexural modulus, water absorption and coefficient of thermal expansion. Although the incorporation of silica filler may dilute the reinforcing effect of crystalline BP, a high silica filler content (∼42 vol.%) was found to increase the physical and chemical properties of the nanocomposite due to the formation of unique microstructures. The microstructure of nanoparticle embedded layers was observed in the nanocomposite using scanning and transmission electron microscopy. This unique microstructure indicates that the crystalline BP and nanoparticles support each other and result in outstanding mechanical properties. The crystalline BP in the LC epoxy resin-based nanocomposite was partially melted during exothermic photopolymerization, and the resin expanded via an order-to-disorder transition. Thus, the post-gelation shrinkage of the LC epoxy resin-based nanocomposite is greatly reduced, ∼50.6% less than in commercialized methacrylate resin-based composites. This LC epoxy nanocomposite demonstrates good physical and chemical properties and good biocompatibility

Synthesis and Supramolecular Chemistry of Novel Liquid Crystalline Crown Ether-Substituted Phthalocyanines : Toward Molecular Wires and Molecular Ionoelectronics

NARCIS (Netherlands)

Nostrum, Cornelus F. van; Picken, Stephen J.; Schouten, Arend-Jan; Nolte, Roeland J.M.

1995-01-01

The synthesis of the metal-free and the dihydroxysilicon derivatives of tetrakis[4’,5’-bis(decoxy)benzo-18-crown-6]phthalocyanine is described. The metal-free phthalocyanine is liquid crystalline and exhibits a crystalline phase to mesophase transition at 148 °C. The structures of the crystalline

Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases

OpenAIRE

Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.

2010-01-01

Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...

Light-induced circular birefringence in cyanoazobenzene side-chain liquid-crystalline polyester films

DEFF Research Database (Denmark)

Naydenova, I; Nikolova, L; Ramanujam, P.S.

1999-01-01

We report the inducement of large circular birefringence (optical activity) in films of a cyanoazobenzene side-chain liquid-crystalline polyester on illumination with circularly polarized light. The polyester has no chiral groups and is initially isotropic. The induced optical rotation is up to 5...

The effect of calcining temperature on the properties of 0-3 piezoelectric composites of PZT and a liquid crystalline thermosetting polymer

NARCIS (Netherlands)

Ende, D.A. van den; Groen, W.A.; Zwaag, S. van der

2011-01-01

We report on the optimisation of a recently developed high performance 0-3 piezoelectric composite comprising of the piezoelectric Lead Zirconate Titanate (PZT) powder and a liquid crystalline thermosetting matrix polymer (LCT). The matrix polymer is a liquid crystalline polymer comprising of an

Quantitative Analysis of Matrine in Liquid Crystalline Nanoparticles by HPLC

Directory of Open Access Journals (Sweden)

Xinsheng Peng

2014-01-01

Full Text Available A reversed-phase high-performance liquid chromatographic method has been developed to quantitatively determine matrine in liquid crystal nanoparticles. The chromatographic method is carried out using an isocratic system. The mobile phase was composed of methanol-PBS(pH6.8-triethylamine (50 : 50 : 0.1% with a flow rate of 1 mL/min with SPD-20A UV/vis detector and the detection wavelength was at 220 nm. The linearity of matrine is in the range of 1.6 to 200.0 μg/mL. The regression equation is y=10706x-2959 (R2=1.0. The average recovery is 101.7%; RSD=2.22%  (n=9. This method provides a simple and accurate strategy to determine matrine in liquid crystalline nanoparticle.

New theories for smectic and nematic liquid crystalline polymers

International Nuclear Information System (INIS)

Dowell, F.

1987-01-01

A summary of results from new statistical-physics theories for both backbone and side-chain liquid crystalline polymers (LCPs) and for mixtures with LCPs is presented. Thermodynamic and molecular ordering properties (including odd-even effects) have been calculated as a function of pressure, density, temperature, and molecule chemical structures (including degree of polymerization and the following properties of the chemical structures of the repeat units: lengths and shapes, intra-chain rotation energies, dipole moments, site-site polarizabilities and Lennard-Jones potentials, etc.) in nematic and multiple smectic-A LC phases and in the isotropic liquid phase. These theories can also be applied to combined LCPs. Since these theories have no ad hoc or arbitrarily adjustable parameters, these theories have been used to design new LCPs and new solvents and to predict and explain properties

Liquid crystallinity in flexible and rigid rod polymers

International Nuclear Information System (INIS)

Pickett, Galen T.; Schweizer, Kenneth S.

2000-01-01

We apply an anisotropic version of the polymer reference interaction site model (PRISM) integral equation description of flexible polymers to analyze athermal liquid crystallinity. The polymers are characterized by a statistical segment length, σ o , and by a physical hard-core thickness, d, that prevents the overlap of monomers on different chains. At small segment densities, ρ, the microscopic length scale d is irrelevant (as it must be in the universal semidilute regime), but becomes important in concentrated solutions and melts. Under the influence of the excluded volume interactions alone, the chains undergo a lyotropic, first-order isotropic-nematic transition at a concentration dependent upon the dimensionless ''aspect ratio,'' σ o /d. The transition becomes weaker as d→0, becoming second order, as has been previously shown. We extend the theory to describe the transition of rigid, thin rods, and discuss the evolution of the anisotropic liquid structure in the ordered phase. (c) 2000 American Institute of Physics

Electrostatic Effects in Phase Transitions of Biomembranes between Cubic Phases and Lamellar Liquid-Crystalline (Lα) phase

Science.gov (United States)

Masum, Shah Md.; Li, Shu Jie; Tamba, Yukihiro; Yamashita, Yuko; Yamazaki, Masahito

2004-04-01

Elucidation of the mechanisms of transitions between cubic phase and liquid-crystalline (Lα) phase, and between different IPMS cubic phases, are essential for understanding of dynamics of biomembranes and topological transformation of lipid membranes. Recently, we found that electrostatic interactions due to surface charges of lipid membranes induce transition between cubic phase and Lα phase, and between different IPMS cubic phases. As electrostatic interactions increase, the most stable phase of a monoolein (MO) membrane changes: Q224 ⇒ Q229 ⇒ Lα. We also found that a de novo designed peptide partitioning into electrically neutral lipid membrane changed the phase stability of the MO membranes. As peptide-1 concentration increased, the most stable phase of a MO membrane changes: Q224 ⇒ Q229 ⇒Lα. In both cases, the increase in the electrostatic repulsive interaction greatly reduced the absolute value of spontaneous curvature of the MO monolayer membrane. We also investigated factors such as poly (L-lysine) and osmotic stress to control structure and phase stability of DOPA/MO membranes. Based on these results, we discuss the mechanism of the effect of electrostatic interactions on the stability of cubic phase.

Solvent-free directed patterning of a highly ordered liquid crystalline organic semiconductor via template-assisted self-assembly for organic transistors.

Science.gov (United States)

Kim, Aryeon; Jang, Kwang-Suk; Kim, Jinsoo; Won, Jong Chan; Yi, Mi Hye; Kim, Hanim; Yoon, Dong Ki; Shin, Tae Joo; Lee, Myong-Hoon; Ka, Jae-Won; Kim, Yun Ho

2013-11-20

Highly ordered organic semiconductor micropatterns of the liquid-crystalline small molecule 2,7-didecylbenzothienobenzothiophene (C10 -BTBT) are fabricated using a simple method based on template-assisted self-assembly (TASA). The liquid crystallinity of C10 -BTBT allows solvent-free fabrication of high-performance printed organic field-effect transistors (OFETs). © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, characterization and photoinduction of optical anisotropy in liquid crystalline diblock azo-copolymers

NARCIS (Netherlands)

Forcen, P.; Oriol, L.; Sanchez, S.; Alcala, R.; Hvilsted, S.; Jankova, K.; Loos, J.

2007-01-01

Diblock copolymers with polymethyl methacrylate and side chain liquid crystalline (LC) azopolymethacrylate blocks were synthesized by atom transfer radical polymerization (ATRP). The azobenzene content in these copolymers ranges from 52 to 7 wt %. For an azo content down to 20% they exhibit a LC

Novel lecithin-integrated liquid crystalline nanogels for enhanced cutaneous targeting of terconazole: development, in vitro and in vivo studies

Directory of Open Access Journals (Sweden)

Elnaggar YSR

2016-10-01

Full Text Available Yosra SR Elnaggar,1,2 Sara M Talaat,1 Mohammed Bahey-El-Din,3 Ossama Y Abdallah1 1Department of Pharmaceutics, Faculty of Pharmacy, Alexandria University, 2Department of Pharmaceutics, Faculty of Pharmacy and Drug Manufacturing, Pharos University in Alexandria, 3Department of Microbiology and Immunology, Faculty of Pharmacy, Alexandria University, Alexandria, Egypt Abstract: Terconazole (Tr is the first marketed, most active triazole for vaginal candidiasis. Owing to poor skin permeation and challenging physicochemical properties, Tr was not employed for the treatment of cutaneous candidiasis. This is the first study to investigate the relevance of novel lecithin-integrated liquid crystalline nano-organogels (LCGs to improve physicochemical characteristics of Tr in order to enable its dermal application in skin candidiasis. Ternary phase diagram was constructed using lecithin/capryol 90/water to identify the region of liquid crystalline organogel. The selected organogel possessed promising physicochemical characteristics based on particle size, rheological behavior, pH, loading efficiency, and in vitro antifungal activity. Microstructure of the selected organogel was confirmed by polarized light microscopy and transmission electron microscopy. Ex vivo and in vivo skin permeation studies revealed a significant 4.7- and 2.7-fold increase in the permeability of Tr-loaded LCG when compared to conventional hydrogel. Moreover, acute irritation study indicated safety and compatibility of liquid crystalline organogel to the skin. The in vivo antifungal activity confirmed the superiority of LCG over the conventional hydrogel for the eradication of Candida infection. Overall, lecithin-based liquid crystalline organogel confirmed its potential as an interesting dermal nanocarrier for skin targeting purpose. Keywords: terconazole, liquid crystalline, organogel, skin targeting, skin mycosis

Ericksen number and Deborah number cascade predictions of a model for liquid crystalline polymers for simple shear flow

Science.gov (United States)

Klein, D. Harley; Leal, L. Gary; García-Cervera, Carlos J.; Ceniceros, Hector D.

2007-02-01

We consider the behavior of the Doi-Marrucci-Greco (DMG) model for nematic liquid crystalline polymers in planar shear flow. We found the DMG model to exhibit dynamics in both qualitative and quantitative agreement with experimental observations reported by Larson and Mead [Liq. Cryst. 15, 151 (1993)] for the Ericksen number and Deborah number cascades. For increasing shear rates within the Ericksen number cascade, the DMG model displays three distinct regimes: stable simple shear, stable roll cells, and irregular structure accompanied by disclination formation. In accordance with experimental observations, the model predicts both ±1 and ±1/2 disclinations. Although ±1 defects form via the ridge-splitting mechanism first identified by Feng, Tao, and Leal [J. Fluid Mech. 449, 179 (2001)], a new mechanism is identified for the formation of ±1/2 defects. Within the Deborah number cascade, with increasing Deborah number, the DMG model exhibits a streamwise banded texture, in the absence of disclinations and roll cells, followed by a monodomain wherein the mean orientation lies within the shear plane throughout the domain.

Novel lecithin-integrated liquid crystalline nanogels for enhanced cutaneous targeting of terconazole: development, in vitro and in vivo studies

Science.gov (United States)

Elnaggar, Yosra SR; Talaat, Sara M; Bahey-El-Din, Mohammed; Abdallah, Ossama Y

2016-01-01

Terconazole (Tr) is the first marketed, most active triazole for vaginal candidiasis. Owing to poor skin permeation and challenging physicochemical properties, Tr was not employed for the treatment of cutaneous candidiasis. This is the first study to investigate the relevance of novel lecithin-integrated liquid crystalline nano-organogels (LCGs) to improve physicochemical characteristics of Tr in order to enable its dermal application in skin candidiasis. Ternary phase diagram was constructed using lecithin/capryol 90/water to identify the region of liquid crystalline organogel. The selected organogel possessed promising physicochemical characteristics based on particle size, rheological behavior, pH, loading efficiency, and in vitro antifungal activity. Microstructure of the selected organogel was confirmed by polarized light microscopy and transmission electron microscopy. Ex vivo and in vivo skin permeation studies revealed a significant 4.7- and 2.7-fold increase in the permeability of Tr-loaded LCG when compared to conventional hydrogel. Moreover, acute irritation study indicated safety and compatibility of liquid crystalline organogel to the skin. The in vivo antifungal activity confirmed the superiority of LCG over the conventional hydrogel for the eradication of Candida infection. Overall, lecithin-based liquid crystalline organogel confirmed its potential as an interesting dermal nanocarrier for skin targeting purpose. PMID:27822033

Novel lecithin-integrated liquid crystalline nanogels for enhanced cutaneous targeting of terconazole: development, in vitro and in vivo studies.

Science.gov (United States)

Elnaggar, Yosra Sr; Talaat, Sara M; Bahey-El-Din, Mohammed; Abdallah, Ossama Y

Terconazole (Tr) is the first marketed, most active triazole for vaginal candidiasis. Owing to poor skin permeation and challenging physicochemical properties, Tr was not employed for the treatment of cutaneous candidiasis. This is the first study to investigate the relevance of novel lecithin-integrated liquid crystalline nano-organogels (LCGs) to improve physicochemical characteristics of Tr in order to enable its dermal application in skin candidiasis. Ternary phase diagram was constructed using lecithin/capryol 90/water to identify the region of liquid crystalline organogel. The selected organogel possessed promising physicochemical characteristics based on particle size, rheological behavior, pH, loading efficiency, and in vitro antifungal activity. Microstructure of the selected organogel was confirmed by polarized light microscopy and transmission electron microscopy. Ex vivo and in vivo skin permeation studies revealed a significant 4.7- and 2.7-fold increase in the permeability of Tr-loaded LCG when compared to conventional hydrogel. Moreover, acute irritation study indicated safety and compatibility of liquid crystalline organogel to the skin. The in vivo antifungal activity confirmed the superiority of LCG over the conventional hydrogel for the eradication of Candida infection. Overall, lecithin-based liquid crystalline organogel confirmed its potential as an interesting dermal nanocarrier for skin targeting purpose.

Functionalized Nanoporous Polymer Membranes with Well-Defined Pore Architectures via Lyotropic Liquid-Crystalline Monomers

National Research Council Canada - National Science Library

Gin, Douglas

1997-01-01

.... Two lyotropic liquid-crystalline monomer platforms have been synthesized. The interchannel separations in the polymerizable materials can be varied in the 30-40 A range by the choice of counterion on the ionic headgroup of the monomers...

Emergence of liquid crystalline order in the lowest Landau level of a quantum Hall system with internal anisotropy

Science.gov (United States)

Ciftja, Orion

2018-05-01

It has now become evident that interplay between internal anisotropy parameters (such as electron mass anisotropy and/or anisotropic coupling of electrons to the substrate) and electron-electron correlation effects can create a rich variety of possibilities especially in quantum Hall systems. The electron mass anisotropy or material substrate effects (for example, the piezoelectric effect in GaAs) can lead to an effective anisotropic interaction potential between electrons. For lack of knowledge of realistic ab-initio potentials that may describe such effects, we adopt a phenomenological approach and assume that an anisotropic Coulomb interaction potential mimics the internal anisotropy of the system. In this work we investigate the emergence of liquid crystalline order at filling factor ν = 1/6 of the lowest Landau level, a state very close to the point where a transition from the liquid to the Wigner solid happens. We consider small finite systems of electrons interacting with an anisotropic Coulomb interaction potential and study the energy stability of an anisotropic liquid crystalline state relative to its isotropic Fermi-liquid counterpart. Quantum Monte Carlo simulation results in disk geometry show stabilization of liquid crystalline order driven by an anisotropic Coulomb interaction potential at all values of the interaction anisotropy parameter studied.

Thermoresponsive Membrane Based on Thermotropic Liquid Crystalline Cholesteryl - (L-lacticacidn System: Study of Its Drug Permeability

Directory of Open Access Journals (Sweden)

Massoumeh Bagheri

2013-01-01

Full Text Available The rapidly increasing interest in functional materials with reversibly switchable physico- chemical properties has led to significant work on the development of stimuli responsive membranes. Thermotropic liquid crystals with their exceptional properties have potentials for drug-delivery applications. Thermoresponsive liquid-crystal-embedded membranes were investigated for the purpose of developing the drug delivery systems with thermal stimuli response. Drug release occurs at temperatures above the phase transition temperature of thermotropic liquid crystals. Therefore, they can control drug release in response to small temperature changes. In this work, the biocompatible and thermotropic liquid crystalline polymer cholesteryl-(L-lactic acidn ,CLAn (n=30, was synthesized with accurate control of molecular weight via ring opening polymerization method. Polymerization of L-lactide was carried out in the presence of cholesterol as an initiator and catalytic amount of tin (II octoate (Sn(Oct2 at 150°C in 5 h. The number-average degree of polymerization of CLA 30 was obtained from 1H NMR spectroscopy. The phase transition behavior of liquid crystalline CLA30 was established by differential scanning calorimetry and polarizing optical microscopy. The resulting liquid crystalline CLA30 was subsequently utilized to prepare CLA30 -embedded cellulose nitrate membrane by adsorption method. The CLA30-embedded cellulose nitrate membrane was used by an in-vitro drug penetration studies. Acetaminophen was used as a model drug. The permeation study was carried out at different temperatures around glass transition temperature of polymer CLA30 (37, 45 and 40°C, respectively. The results show that the CLA30 -embedded cellulose nitrate membranes exhibit thermo-responsive sensitivity with controlled drug permeation.

Aligned silane-treated MWCNT/liquid crystal polymer films

International Nuclear Information System (INIS)

Cervini, Raoul; Simon, George P; Ginic-Markovic, Milena; Matisons, Janis G; Huynh, Chi; Hawkins, Stephen

2008-01-01

We report on a method to preferentially align multiwall carbon nanotubes (MWCNTs) in a liquid crystalline matrix to form stable composite thin films. The liquid crystalline monomeric chains can be crosslinked to form acrylate bridges, thereby retaining the nanotube alignment. Further post-treatment by ozone etching of the composite films leads to an increase in bulk conductivity, leading to higher emission currents when examined under conducting scanning probe microscopy. The described methodology may facilitate device manufacture where electron emission from nanosized tips is important in the creation of new display devices

Highly tilted liquid crystalline materials possessing a direct phase transition from antiferroelectric to isotropic phase

Energy Technology Data Exchange (ETDEWEB)

Milewska, K.; Drzewiński, W. [Institute of Chemistry, Military University of Technology, 00-908 Warsaw (Poland); Czerwiński, M., E-mail: mczerwinski@wat.edu.pl [Institute of Chemistry, Military University of Technology, 00-908 Warsaw (Poland); Dąbrowski, R. [Institute of Chemistry, Military University of Technology, 00-908 Warsaw (Poland); Piecek, W. [Institute of Applied Physics, Military University of Technology, 00-908 Warsaw (Poland)

2016-03-01

Pure compounds and multicomponent mixtures with a broad temperature range of high tilted liquid crystalline antiferroelectric phase and a direct phase transition from antiferroelectric to isotropic phase, were obtained. X-ray diffraction analysis confirms these kinds of materials form a high tilted anticlinic phase, with a fixed layer spacing and very weak dependency upon temperature, after the transition from the isotropic phase. Due to this, not only pure orthoconic antiferroelectric liquid crystals but also those with a moderate tilt should generate a good dark state. Furthermore, due to the increased potential for forming anticlinic forces, such materials could minimize a commonly observed asymmetry of a rise and fall switching times at a surface stabilized geometry. - Highlights: • The new class of liquid crystalline materials with the direct SmC{sub A}*. • Iso phase transition were obtained. • Materials possess the layer spacing fixed and very weak dependent upon temperature. • Smectic layers without shrinkage are observed. • A good dark state can be generate in SSAFLC.

From Cellulosic Based Liquid Crystalline Sheared Solutions to 1D and 2D Soft Materials

Directory of Open Access Journals (Sweden)

Maria Helena Godinho

2014-06-01

Full Text Available Liquid crystalline cellulosic-based solutions described by distinctive properties are at the origin of different kinds of multifunctional materials with unique characteristics. These solutions can form chiral nematic phases at rest, with tuneable photonic behavior, and exhibit a complex behavior associated with the onset of a network of director field defects under shear. Techniques, such as Nuclear Magnetic Resonance (NMR, Rheology coupled with NMR (Rheo-NMR, rheology, optical methods, Magnetic Resonance Imaging (MRI, Wide Angle X-rays Scattering (WAXS, were extensively used to enlighten the liquid crystalline characteristics of these cellulosic solutions. Cellulosic films produced by shear casting and fibers by electrospinning, from these liquid crystalline solutions, have regained wider attention due to recognition of their innovative properties associated to their biocompatibility. Electrospun membranes composed by helical and spiral shape fibers allow the achievement of large surface areas, leading to the improvement of the performance of this kind of systems. The moisture response, light modulated, wettability and the capability of orienting protein and cellulose crystals, opened a wide range of new applications to the shear casted films. Characterization by NMR, X-rays, tensile tests, AFM, and optical methods allowed detailed characterization of those soft cellulosic materials. In this work, special attention will be given to recent developments, including, among others, a moisture driven cellulosic motor and electro-optical devices.

Liquid crystalline systems for transdermal delivery of celecoxib: in vitro drug release and skin permeation studies.

Science.gov (United States)

Estracanholli, Eder André; Praça, Fabíola Silva Garcia; Cintra, Ana Beatriz; Pierre, Maria Bernadete Riemma; Lara, Marilisa Guimarães

2014-12-01

Liquid crystalline systems of monoolein/water could be a promising approach for the delivery of celecoxib (CXB) to the skin because these systems can sustain drug release, improve drug penetration into the skin layers and minimize side effects. This study evaluated the potential of these systems for the delivery of CXB into the skin based on in vitro drug release and skin permeation studies. The amount of CXB that permeated into and/or was retained in the skin was assayed using an HPLC method. Polarizing light microscopy studies showed that liquid crystalline systems of monoolein/water were formed in the presence of CXB, without any changes in the mesophases. The liquid crystalline systems decreased drug release when compared to control solution. Drug release was independent of the initial water content of the systems and CXB was released from cubic phase systems, irrespective of the initial water content. The systems released the CXB following zero-order release kinetics. In vitro drug permeation studies showed that cubic phase systems allowed drug permeation and retention in the skin layers. Cubic phase systems of monoolein/water may be promising vehicles for the delivery of CXB in/through the skin because it improved CXB skin permeation compared with the control solution.

Liquid crystalline composites toward organic photovoltaic application (Conference Presentation)

Science.gov (United States)

Shimizu, Yo; Sosa-Vargas, Lydia; Shin, Woong; Higuchi, Yumi; Itani, Hiromichi; Kawano, Koki; Dao, Quang Duy; Fujii, Akihiko; Ozaki, Masanori

2017-02-01

Liquid crystalline semiconductor is an interesting category of organic electronic materials and also has been extensively studied in terms of "Printed Electronics". For the wider diversity in research toward new applications, one can consider how to use a combination of miscibility and phase separation in liquid crystals. Here we report discotic liquid crystals in making a composite of which structural order is controlled in nano-scale toward photovoltaic applications. Discotic columnar LCs were studied on their resultant molecular order and carrier transport properties. Liquid crystals of phthalocyanine and its analogues which exhibit columnar mesomorphism with high carrier mobility (10-1 cm2/Vs) were examined with making binary phase diagrams and the correlation to carrier transport properties by TOF measurements was discussed. The shape-analogues in chemical structure shows a good miscibility even for the different lattice-type of columnar arrangement and the carrier mobility is mostly decrease except for a case of combination with a metal-free and the metal complex. For the mixtures with non-mesogenic C60 derivatives, one sees a phase-separated structure due to its immiscibility, though the columnar order is remained in a range of component ratio.Especially, in a range of the ratio, it was observed the phase separated C60 derivatives are fused into the matrix of columnar bundles, indicating C60 derivatives could be diffused in columnar arrays in molecular level.

Development and evaluation of exemestane-loaded lyotropic liquid crystalline gel formulations

OpenAIRE

Musa, Muhammad Nuh; David, Sheba Rani; Zulkipli, Ihsan Nazurah; Mahadi, Abdul Hanif; Chakravarthi, Srikumar; Rajabalaya, Rajan

2017-01-01

Introduction: The use of liquid crystalline (LC) gel formulations for drug delivery has considerably improved the current delivery methods in terms of bioavailability and efficacy. The purpose of this study was to develop and evaluate LC gel formulations to deliver the anti-cancer drug exemestane through transdermal route. Methods: Two LC gel formulations were prepared by phase separation coacervation method using glyceryl monooleate (GMO), Tween 80 and Pluronic® F127 (F127). The formulations...

Polyamine structural effects on the induction and stabilization of liquid crystalline DNA: potential applications to DNA packaging, gene therapy and polyamine therapeutics.

Science.gov (United States)

Saminathan, M; Thomas, Thresia; Shirahata, Akira; Pillai, C K S; Thomas, T J

2002-09-01

DNA undergoes condensation, conformational transitions, aggregation and resolubilization in the presence of polyamines, positively charged organic molecules present in all cells. Under carefully controlled environmental conditions, DNA can also transform to a liquid crystalline state in vitro. We undertook the present work to examine the ability of spermidine, N4-methylspermidine, spermine, N1-acetylspermine and a group of tetramine, pentamine and hexamine analogs of spermine to induce and stabilize liquid crystalline DNA. Liquid crystalline textures were identified under a polarizing microscope. In the absence of polyamines, calf thymus DNA assumed a diffused, planar cholesteric phase with entrapped bubbles when incubated on a glass slide at 37 degrees C. In the presence of spermidine and spermine, the characteristic fingerprint textures of the cholesteric phase, adopting a hexagonal order, were obtained. The helical pitch was 2.5 micro m. The final structures were dendrimeric and crystalline when DNA was treated with spermine homologs and bis(ethyl) derivatives. A cholesteric structure was observed when DNA was treated with a hexamine at 37 degrees C. This structure changed to a hexagonal dendrimer with fluidity on prolonged incubation. These data show a structural specificity effect of polyamines on liquid crystalline phase transitions of DNA and suggest a possible physiological function of natural polyamines.

Intestinal mucus and juice glycoproteins have a liquid crystalline structure

International Nuclear Information System (INIS)

Denisova, E.A.; Lazarev, P.I.; Vazina, A.A.; Zheleznaya, L.A.

1985-01-01

X-ray diffraction patterns have been obtained from the following components of canine gastrointestinal tract: (1) native small intestine mucus layer; (2) the precipitate of the flocks formed in the duodenal juice with decreasing pH; (3) concentrated solutions of glycoproteins isolated from the duodenal juice. The X-ray patterns consist of a large number of sharp reflections of spacings between about 100 and 4 A. Some reflections are common for all components studied. All the patterns are interpreted as arising from the glycoprotein molecules ordered into a liquid crystalline structure. (author)

Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition

International Nuclear Information System (INIS)

Glagolev, Mikhail K.; Vasilevskaya, Valentina V.; Khokhlov, Alexei R.

2016-01-01

Impact of mixture composition on self-organization in concentrated solutions of stiff helical and flexible macromolecules was studied by means of molecular dynamics simulation. The macromolecules were composed of identical amphiphilic monomer units but a fraction f of macromolecules had stiff helical backbones and the remaining chains were flexible. In poor solvents the compacted flexible macromolecules coexist with bundles or filament clusters from few intertwined stiff helical macromolecules. The increase of relative content f of helical macromolecules leads to increase of the length of helical clusters, to alignment of clusters with each other, and then to liquid-crystalline-like ordering along a single direction. The formation of filament clusters causes segregation of helical and flexible macromolecules and the alignment of the filaments induces effective liquid-like ordering of flexible macromolecules. A visual analysis and calculation of order parameter relaying the anisotropy of diffraction allow concluding that transition from disordered to liquid-crystalline state proceeds sharply at relatively low content of stiff components.

Synthesis of Isothianaphthene (ITN and 3,4-Ethylenedioxy-Thiophene (EDOT-Based Low-Bandgap Liquid Crystalline Conjugated Polymers

Directory of Open Access Journals (Sweden)

Hiromasa Goto

2013-05-01

Full Text Available Copolymers, consisting of isothianaphthene and phenylene derivatives with liquid crystal groups, were synthesized via Migita-Kosugi-Stille polycondensation reaction. IR absorption, UV-vis optical absorption, and PL spectroscopy measurements were carried out. Thermotropic liquid crystallinity of the polymers with bandgap of ~2.5 eV was confirmed.

Polarized Emission of Wholly Aromatic Bio-Based Copolyesters of a Liquid Crystalline Nature

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Daisaku Kaneko

2011-05-01

Full Text Available A novel thermotropic liquid crystalline polymers poly{3-benzylidene amino-4-hydroxybenzoic acid (3,4-BAHBA-co-trans-4-hydroxycinnamic acid (4HCA: trans-coumaric acid} (Poly(3,4-BAHBA-co-4HCA, was synthesized by the thermal polycondensation of 4HCA and 3,4-BAHBA, which was synthesized by a reaction of 3-amino-4-hydroxybenzoic acid (3,4-AHBA with benzaldehyde. When the 4HCA compositions of Poly(3,4-BAHBA-co-4HCAs were above 55 mol%, the copolymers showed a nematic, liquid crystalline phase. Differential scanning calorimetry (DSC measurements of the copolymers showed a high glass transition temperature of more than 100 °C, sufficient for use in engineering plastics. Furthermore, the copolymers showed photoluminescence in an N-methylpyrrolidone (NMP solution under ultraviolet (UV light with a wavelength of 365 nm. Oriented film of Poly(3,4-BAHBA-co-4HCA with a 4HCA composition of 75 mol% emitted polarized light, which was confirmed by fluorescent spectroscopy equipped with parallel and crossed polarizers.

Structural aspects of fish skin collagen which forms ordered arrays via liquid crystalline states.

Science.gov (United States)

Giraud-Guille, M M; Besseau, L; Chopin, C; Durand, P; Herbage, D

2000-05-01

The ability of acid-soluble type I collagen extracts from Soleidae flat fish to form ordered arrays in condensed phases has been compared with data for calf skin collagen. Liquid crystalline assemblies in vitro are optimized by preliminary treatment of the molecular population with ultrasounds. This treatment requires the stability of the fish collagen triple helicity to be controlled by X-ray diffraction and differential scanning calorimetry and the effect of sonication to be evaluated by viscosity measurements and gel electrophoresis. The collagen solution in concentrations of at least 40 mg ml(-1) showed in polarized light microscopy birefringent patterns typical of precholesteric phases indicating long-range order within the fluid collagen phase. Ultrastructural data, obtained after stabilization of the liquid crystalline collagen into a gelated matrix, showed that neutralized acid-soluble fish collagen forms cross-striated fibrils, typical of type I collagen, following sine wave-like undulations in precholesteric domains. These ordered geometries, approximating in vivo situations, give interesting mechanical properties to the material.

Liquid crystalline tactoids: ordered structure, defective coalescence and evolution in confined geometries

Science.gov (United States)

Wang, Pei-Xi; MacLachlan, Mark J.

2017-12-01

Tactoids are liquid crystalline microdroplets that spontaneously nucleate from isotropic dispersions, and transform into macroscopic anisotropic phases. These intermediate structures have been found in a range of molecular, polymeric and colloidal liquid crystals. Typically only studied by polarized optical microscopy, these ordered but easily deformable microdroplets are now emerging as interesting components for structural investigations and developing new materials. In this review, we highlight the structure, property and transformation of tactoids in different compositions, but especially cellulose nanocrystals. We have selected references that illustrate the diversity and most exciting developments in tactoid research, while capturing the historical development of this field. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

Computer simulation of confined and flexoelectric liquid crystalline systems

International Nuclear Information System (INIS)

Barmes, F.

2003-01-01

In this Thesis, systems of confined and flexoelectric liquid crystal systems have been studied using molecular computer simulations. The aim of this work was to provide a molecular model of a bistable display cell in which switching is induced through the application of directional electric field pulses. In the first part of this Thesis, the study of confined systems of liquid crystalline particles has been addressed. Computation of the anchoring phase diagrams for three different surface interaction models showed that the hard needle wall and rod-surface potentials induce both planar and homeotropic alignment separated by a bistability region, this being stronger and wider for the rod-surface varant. The results obtained using the rod-sphere surface model, in contrast, showed that tilled surface arrangements can be induced by surface absorption mechanisms. Equivalent studies of hybrid anchored systems showed that a bend director structure can be obtained in a slab with monostable homeotropic anchoring at the top surface and bistable anchoring at the bottom, provided that the slab height is sufficiently large and the top homeotropic anchoring is not too strong. In the second part of the Thesis, the development of models for tapered (pear-shaped) mesogens has been addressed. The first model considered, the truncated Stone expansion model, proved to be unsuccessful in that it did not display liquid crystalline phases. This drawback was then overcome using the alternative parametric hard Gaussian overlap model which was found to display a much richer phase behaviour. With a molecular elongation k = 5, both nematic and interdigitated smectic A 2 phases were obtained. In the final part of this Thesis, the knowledge acquired from the two previous studies was united in an attempt to model a bistable display cell. Switching between the hybrid aligned nematic and vertical states of the cell was successfully performed using pear shaped particles with both dielectric and

Macromolecular crowding-assisted fabrication of liquid-crystalline imprinted polymers.

Science.gov (United States)

Zhang, Chen; Zhang, Jing; Huang, Yan-Ping; Liu, Zhao-Sheng

2015-04-01

A macromolecular crowding-assisted liquid-crystalline molecularly imprinted monolith (LC-MIM) was prepared successfully for the first time. The imprinted stationary phase was synthesized with polymethyl methacrylate (PMMA) or polystyrene (PS) as the crowding agent, 4-cyanophenyl dicyclohexyl propylene (CPCE) as the liquid-crystal monomer, and hydroquinidine as the pseudo-template for the chiral separation of cinchona alkaloids in HPLC. A low level of cross-linker (26%) has been found to be sufficient to achieve molecular recognition on the crowding-assisted LC-MIM due to the physical cross-linking of mesogenic groups in place of chemical cross-linking, and baseline separation of quinidine and quinine could be achieved with good resolution (R(s) = 2.96), selectivity factor (α = 2.16), and column efficiency (N = 2650 plates/m). In contrast, the LC-MIM prepared without crowding agents displayed the smallest diastereoselectivity (α = 1.90), while the crowding-assisted MIM with high level of cross-linker (80%) obtained the greatest selectivity factor (α = 7.65), but the lowest column efficiency (N = 177 plates/m).

Collagen films with stabilized liquid crystalline phases and concerns on osteoblast behaviors

Energy Technology Data Exchange (ETDEWEB)

Tang, Minjian; Ding, Shan; Min, Xiang; Jiao, Yanpeng, E-mail: tjiaoyp@jnu.edu.cn; Li, Lihua; Li, Hong; Zhou, Changren, E-mail: tcrz9@jnu.edu.cn

2016-01-01

To duplicate collagen's in vivo liquid crystalline (LC) phase and investigate the relationship between the morphology of LC collagen and osteoblast behavior, a self-assembly method was introduced for preparing collagen films with a stabilized LC phase. The LC texture and topological structure of the films before and after stabilization were observed with polarizing optical microscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). The relationship between the collagen films and osteoblast behavior was studied with the 3-(4,5)-dimethylthiahiazo(-z-y1)-3,5-di-phenytetrazoliumromide method, proliferation index detection, alkaline phosphatase measurements, osteocalcin assay, inverted microscopy, SEM observation, AFM observation, and cytoskeleton fluorescence staining. The results showed that the LC collagen film had continuously twisting orientations in the cholesteric phase with a typical series of arced patterns. The collagen fibers assembled in a well-organized orientation in the LC film. Compared to the non-LC film, the LC collagen film can promote cell proliferation, and increase ALP and osteocalcin expression, revealing a contact guide effect on osteoblasts. - Highlights: • Collagen film with liquid crystalline (LC) phase was observed by POM, SEM and AFM. • The effect of LC collagen film on osteoblasts behaviors was studied in detail. • LC collagen film promoted osteoblast proliferation and osteogenesis activity.

Structural Analysis of Aromatic Liquid Crystalline Polyesters

Directory of Open Access Journals (Sweden)

Arpad Somogyi

2011-01-01

Full Text Available Laboratory preparations of liquid crystalline prepolymers, distillates accompanying prepolymers, final polymers, and sublimates accompanying final polymers were examined. NaOD/D2O depolymerization of prepolymers and polymers back to monomers with integration of the 1H NMR spectra showed up to 6% excess of carboxyls over phenol groups, caused partly by loss of the low-boiling comonomer hydroquinone through distillation during prepolymerization and leaving anhydride units in the polymer chain. ESI− MS and MS/MS of hexafluoroisopropanol extracts of the prepolymer detected small molecules including some containing anhydride groups; ESI+ MS showed the presence of small cyclic oligomers. 1H NMR (including TOCSY spectra provided more quantitative analyses of these oligomers. The final polymerization increases the length of the polymer chains and sublimes out the small oligomers. Anhydride linkages remaining in the polymer must make LCP’s more susceptible to degradation by nucleophilic reagents such as water, alkalis, and amines.

Understanding changes in cellulose crystalline structure of lignocellulosic biomass during ionic liquid pretreatment by XRD.

Science.gov (United States)

Zhang, Jiafu; Wang, Yixun; Zhang, Liye; Zhang, Ruihong; Liu, Guangqing; Cheng, Gang

2014-01-01

X-ray diffraction (XRD) was used to understand the interactions of cellulose in lignocellulosic biomass with ionic liquids (ILs). The experiment was designed in such a way that the process of swelling and solubilization of crystalline cellulose in plant cell walls was followed by XRD. Three different feedstocks, switchgrass, corn stover and rice husk, were pretreated using 1-butyl-3-methylimidazolium acetate ([C4mim][OAc]) at temperatures of 50-130°C for 6h. At a 5 wt.% biomass loading, increasing pretreatment temperature led to a drop in biomass crystallinity index (CrI), which was due to swelling of crystalline cellulose. After most of the crystalline cellulose was swollen with IL molecules, a low-order structure was found in the pretreated samples. Upon further increasing temperature, cellulose II structure started to form in the pretreated biomass samples as a result of solubilization of cellulose in [C4mim][OAc] and subsequent regeneration. Copyright © 2013 Elsevier Ltd. All rights reserved.

High diffraction efficiency polarization gratings recorded by biphotonic holography in an azobenzene liquid crystalline polyester

DEFF Research Database (Denmark)

Sánchez, C; Alcalá, R; Hvilsted, Søren

2001-01-01

High diffraction efficiencies have been achieved with polarization gratings recorded in thin films of an azobenzene side-chain liquid crystalline polyester by means of biphotonic processes. Efficiency values up to 30% have been reached after an induction period of 300 s and subsequent evolution...

Hydrogen Bond Induces Hierarchical Self-Assembly in Liquid-Crystalline Block Copolymers.

Science.gov (United States)

Huang, Shuai; Pang, Linlin; Chen, Yuxuan; Zhou, Liming; Fang, Shaoming; Yu, Haifeng

2018-03-01

Microphase-separated structures of block copolymers (BCs) with a size of sub-10 nm are usually obtained by hydrogen-bond-induced self-assembly of BCs through doping with small molecules as functional additives. Here, fabrication of hierarchically self-assembled sub-10 nm structures upon microphase separation of amphiphilic liquid-crystalline BCs (LCBCs) at the existence of hydrogen bonds but without any dopants is reported. The newly introduced urethane groups in the side chain of the hydrophobic block of LCBCs interact with the ether groups of the hydrophilic poly(ethylene oxide) (PEO) block, leading to imperfect crystallization of the PEO blocks. Both crystalline and amorphous domains coexist in the separated PEO phase, enabling a lamellar structure to appear inside the PEO nanocylinders. This provides an elegant method to fabricate controllable sub-10 nm microstructures in well-defined polymer systems without the introduction of any dopants. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Demixing by a Nematic Mean Field: Coarse-Grained Simulations of Liquid Crystalline Polymers

Energy Technology Data Exchange (ETDEWEB)

Ramírez-Hernández, Abelardo; Hur, Su-Mi; Armas-Pérez, Julio; Cruz, Monica; de Pablo, Juan

2017-03-01

Liquid crystalline polymers exhibit a particular richness of behaviors that stems from their rigidity and their macromolecular nature. On the one hand, the orientational interaction between liquid-crystalline motifs promotes their alignment, thereby leading to the emergence of nematic phases. On the other hand, the large number of configurations associated with polymer chains favors formation of isotropic phases, with chain stiffness becoming the factor that tips the balance. In this work, a soft coarse-grained model is introduced to explore the interplay of chain stiffness, molecular weight and orientational coupling, and their role on the isotropic-nematic transition in homopolymer melts. We also study the structure of polymer mixtures composed of stiff and flexible polymeric molecules. We consider the effects of blend composition, persistence length, molecular weight and orientational coupling strength on the melt structure at the nano-and mesoscopic levels. Conditions are found where the systems separate into two phases, one isotropic and the other nematic. We confirm the existence of non-equilibrium states that exhibit sought-after percolating nematic domains, which are of interest for applications in organic photovoltaic and electronic devices.

Vehicles of inverted hexagonal liquid crystalline lipid phases self-assembled at room temperature

Czech Academy of Sciences Publication Activity Database

Angelov, Borislav; Angelova, A.; Garamus, V. M.; Lesieur, S.

2013-01-01

Roč. 15, 3/4 (2013), s. 211-215 ISSN 1454-4164 R&D Projects: GA ČR GAP208/10/1600 Institutional support: RVO:61389013 Keywords : liquid crystalline lipid nanoparticles * small angle X-ray scattering * cross-polarised light optical microscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.563, year: 2013 http://joam.inoe.ro/index.php?option=magazine&op=view&idu=3179&catid=76

A new series of two-ring-based side chain liquid crystalline polymers: synthesis and mesophase characterization

CSIR Research Space (South Africa)

Reddy, GSM

2013-05-01

Full Text Available A new series of side chain liquid crystalline polymers containing a core, a butamethylenoxy spacer, ester groups, and terminal alkoxy groups were synthesised and their structures were confirmed. The core was constructed with two phenyl rings...

Thermal degradation of polymer systems having liquid crystalline oligoester segment

Directory of Open Access Journals (Sweden)

Renato Matroniani

Full Text Available Abstract Block copolymers and blends comprised by liquid crystalline oligoester and polystyrene were prepared and their thermal stability were characterized by thermogravimetric analysis (TGA. The samples have shown three main decomposition temperatures due to (1 lost of flexible chain and decomposition of mesogenic segment, (2 decomposition of polystyrene and (3 final decomposition of oligoester rigid segment. Both copolymers and polymer blends presented lower thermal stability compared to polystyrene and oligoester. The residual mass after heating at 600 °C in copolymers and polymer blends were lower than those found in the oligoesters. A degradative process of aromatic segments of oligoester induced by decomposition of polystyrene is suggested.

Volume phase transitions of cholesteric liquid crystalline gels.

Science.gov (United States)

Matsuyama, Akihiko

2015-05-07

We present a mean field theory to describe anisotropic deformations of a cholesteric elastomer without solvent molecules and a cholesteric liquid crystalline gel immersed in isotropic solvents at a thermal equilibrium state. Based on the neoclassical rubber theory of nematic elastomers, we derive an elastic energy and a twist distortion energy, which are important to determine the shape of a cholesteric elastomer (or gel). We demonstrate that when the elastic energy dominates in the free energy, the cholesteric elastomer causes a spontaneous compression in the pitch axis and elongates along the director on the plane perpendicular to the pitch axis. Our theory can qualitatively describe the experimental results of a cholesteric elastomer. We also predict the first-order volume phase transitions and anisotropic deformations of a gel at the cholesteric-isotropic phase transition temperature. Depending on a chirality of a gel, we find a prolate or oblate shape of cholesteric gels.

Volume phase transitions of cholesteric liquid crystalline gels

Energy Technology Data Exchange (ETDEWEB)

Matsuyama, Akihiko, E-mail: matuyama@bio.kyutech.ac.jp [Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, Kawazu 680-4, Iizuka, Fukuoka 820-8502 (Japan)

2015-05-07

We present a mean field theory to describe anisotropic deformations of a cholesteric elastomer without solvent molecules and a cholesteric liquid crystalline gel immersed in isotropic solvents at a thermal equilibrium state. Based on the neoclassical rubber theory of nematic elastomers, we derive an elastic energy and a twist distortion energy, which are important to determine the shape of a cholesteric elastomer (or gel). We demonstrate that when the elastic energy dominates in the free energy, the cholesteric elastomer causes a spontaneous compression in the pitch axis and elongates along the director on the plane perpendicular to the pitch axis. Our theory can qualitatively describe the experimental results of a cholesteric elastomer. We also predict the first-order volume phase transitions and anisotropic deformations of a gel at the cholesteric-isotropic phase transition temperature. Depending on a chirality of a gel, we find a prolate or oblate shape of cholesteric gels.

Liquid crystalline systems containing Vitamin E TPGS for the controlled transdermal nicotine delivery

Directory of Open Access Journals (Sweden)

Lívia Neves Borgheti-Cardoso

Full Text Available ABSTRACT Transdermal nicotine patches have been used in smoking cessation therapy, suggested for the treatment of skin disorders with eosinophilic infiltration and have been found to improve attention performance in patients with Alzheimer's disease and age-associated memory impairment. However, skin irritation with extended patch use is still a problem. The aim of this work was to develop a simple to prepare liquid crystalline system containing vitamin E TPGS that would be able to control nicotine delivery and reduce irritation and sensitization problems. The liquid crystalline phases were macroscopically characterized by visual analysis and examined microscopically under a polarized light microscope. Topical and transdermal delivery of nicotine were investigated in vitro using porcine ear skin mounted on a Franz diffusion cell. Nicotine skin permeation from the developed cubic phase followed zero-order kinetics (r = 0.993 and was significantly enhanced after 12 h when compared to the control formulation (nicotine solution (p < 0.05 (138.86 ± 20.44 and 64.91 ± 4.06 μg/cm2, respectively. Cubic phase was also able to target viable skin layers in comparison to control solution (8.18 ± 1.89 and 2.63 ± 2.51 μg/cm2, respectively. Further studies to evaluate skin sensitization and irritation are now necessary.

10,000 optical write, read, and erase cycles in an azobenzene sidechain liquid-crystalline polyester

DEFF Research Database (Denmark)

Holme, NCR; Ramanujam, P.S.; Hvilsted, Søren

1996-01-01

We show far what is believed to he the first time that it is possible tu generate 10,000 rapid write, read, and erase cycles optically in an azobenzene sidechain liquid-crystalline polyester. We do this by exposing the film alternately to visible light from an argon laser at 488 nm and ultraviolet...

New liquid crystalline materials based on two generations of dendronised cyclophosphazenes.

Science.gov (United States)

Jiménez, Josefina; Laguna, Antonio; Gascón, Elena; Sanz, José Antonio; Serrano, José Luis; Barberá, Joaquín; Oriol, Luis

2012-12-21

A divergent approach was used for the synthesis of dendritic structures based on a cyclotriphosphazene core with 12 or 24 hydroxyl groups, by starting from [N(3)P(3)(OC(6)H(4)OH-4)(6)] and using an acetal-protected 2,2-di(hydroxymethyl)propionic anhydride as the acylating agent. Hydroxyl groups in these first- and second-generation dendrimers, G1-(OH)(12) or G2-(OH)(24), were then condensed in turn with mono- or polycatenar pro-mesogenic acids to study their ability to promote self-assembly into liquid crystalline structures. Reactions were monitored by using (31)P{(1)H} and (1)H NMR spectroscopy and the chemical structure of the resulting materials was confirmed by using different spectroscopic techniques and mass spectrometry (MALDI-TOF MS). The results were in accordance with monodisperse, fully functionalised cyclotriphosphazene dendrimers. Thermal and liquid crystalline properties were studied by using optical microscopy, differential scanning calorimetry and X-ray diffraction. The dendrimer with 12 4-pentylbiphenyl mesogenic units gives rise to columnar rectangular organisation, whereas the one with 24 pentylbiphenyl units does not exhibit mesomorphic behaviour. In the case of materials that contain polycatenar pro-mesogenic units with two aromatic rings (A4 vs. A5), the incorporation of a short flexible spacer connected to the periphery of the dendron (acid A5) was needed to achieve mesomorphic organisation. In this case, both dendrimer generations G1 A5 and G2 A5 exhibit a hexagonal columnar mesophase. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stable lithium electrodeposition in liquid and nanoporous solid electrolytes

KAUST Repository

Lu, Yingying

2014-08-10

Rechargeable lithium, sodium and aluminium metal-based batteries are among the most versatile platforms for high-energy, cost-effective electrochemical energy storage. Non-uniform metal deposition and dendrite formation on the negative electrode during repeated cycles of charge and discharge are major hurdles to commercialization of energy-storage devices based on each of these chemistries. A long-held view is that unstable electrodeposition is a consequence of inherent characteristics of these metals and their inability to form uniform electrodeposits on surfaces with inevitable defects. We report on electrodeposition of lithium in simple liquid electrolytes and in nanoporous solids infused with liquid electrolytes. We find that simple liquid electrolytes reinforced with halogenated salt blends exhibit stable long-term cycling at room temperature, often with no signs of deposition instabilities over hundreds of cycles of charge and discharge and thousands of operating hours. We rationalize these observations with the help of surface energy data for the electrolyte/lithium interface and impedance analysis of the interface during different stages of cell operation. Our findings provide support for an important recent theoretical prediction that the surface mobility of lithium is significantly enhanced in the presence of lithium halide salts. Our results also show that a high electrolyte modulus is unnecessary for stable electrodeposition of lithium.

Comparison of alignment tensors generated for native tRNAVal using magnetic fields and liquid crystalline media

International Nuclear Information System (INIS)

Latham, Michael P.; Hanson, Paul; Brown, Darin J.; Pardi, Arthur

2008-01-01

Residual dipolar couplings (RDCs) complement standard NOE distance and J-coupling torsion angle data to improve the local and global structure of biomolecules in solution. One powerful application of RDCs is for domain orientation studies, which are especially valuable for structural studies of nucleic acids, where the local structure of a double helix is readily modeled and the orientations of the helical domains can then be determined from RDC data. However, RDCs obtained from only one alignment media generally result in degenerate solutions for the orientation of multiple domains. In protein systems, different alignment media are typically used to eliminate this orientational degeneracy, where the combination of RDCs from two (or more) independent alignment tensors can be used to overcome this degeneracy. It is demonstrated here for native E. coli tRNA Val that many of the commonly used liquid crystalline alignment media result in very similar alignment tensors, which do not eliminate the 4-fold degeneracy for orienting the two helical domains in tRNA. The intrinsic magnetic susceptibility anisotropy (MSA) of the nucleobases in tRNA Val was also used to obtain RDCs for magnetic alignment at 800 and 900 MHz. While these RDCs yield a different alignment tensor, the specific orientation of this tensor combined with the high rhombicity for the tensors in the liquid crystalline media only eliminates two of the four degenerate orientations for tRNA Val . Simulations are used to show that, in optimal cases, the combination of RDCs obtained from liquid crystalline medium and MSA-induced alignment can be used to obtain a unique orientation for the two helical domains in tRNA Val

Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals

Science.gov (United States)

Martínez-González, Jose A.; Li, Xiao; Sadati, Monirosadat; Zhou, Ye; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-06-01

Chiral nematic liquid crystals are known to form blue phases--liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation over large regions. These results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.

On the molecular anisotropy of liquid crystalline and flexible polymer systems

Science.gov (United States)

van Horn, Brett L.

The demand for products of ever increasing quality or for novel applications has required increasing attention to or manipulation of the anisotropy of manufactured parts. Oriented plastics are used everywhere from recording film to automotive body parts to monofilament fishing line. Liquid crystals are also used in a wide array of applications including their dominance in the flat panel display industry, color changing temperature sensors, and woven bullet resistant fabrics. Anisotropy can also be detrimental, for instance sometimes leading to poor fracture resistance or low yield stress along specific directions. Controlling and measuring anisotropy of materials has become increasingly important, but doing so is wrought with challenges. Measuring physical properties of isotropic liquids, such as water or most oils can be done in a straightforward fashion. Their viscosities and densities, for example, have unique values under a given set of conditions. With anisotropic fluids, like liquid crystals, the viscosity, for instance, will not only depend upon temperature, concentration, etc. but also upon the direction of observation, degree of anisotropy, source of anisotropy, and so forth. This added degree of complexity complicates our ability to define the state of the material at which the measurements are made and generally necessitates the use of more sophisticated measurement strategies or techniques. This work presents techniques and tools for investigating anisotropy in liquid crystalline and stretched polymeric systems. Included are the use of conoscopy for the determination of birefringence and orientation of nematic liquid crystals and stretched polymers, the shear response of flow aligning nematic liquid crystal monodomains, and the design of a novel linear rheometer that allows for in situ optical or scattering investigations.

Studies on the Synthesis,Characterization and Properties of the Reactive Thermotropic Liquid Crystalline Polymer

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

1 Introduction Four species of reactive thermotropic liquid crystalline polymer (LCMC) with different relative molecular weight were synthesized in this work (see scheme 1, n=2, 6, 10, ∞.n means number of repeat structure unit). Their structure, morphology and properties were investigated systemically by differential scanning calorimetry (DSC), Thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), Wide-angle X-ray diffraction (WAXD), polarizing opticalmicroscopy (POM) and ubb...

Biaxiality of chiral liquid crystals

International Nuclear Information System (INIS)

Longa, L.; Trebin, H.R.; Fink, W.

1993-10-01

Using extended deGennes-Ginzburg-Landau free energy expansion in terms of the anisotropic part of the dielectric tensor field Q αβ (χ) a connection between the phase biaxiality and the stability of various chiral liquid crystalline phases is studied. In particular the cholesteric phase, the cubic Blue Phases and the phases characterized by an icosahedral space group symmetry are analysed in detail. Also a general question concerning the applicability of the mean-field approximation in describing the chiral phases is addressed. By an extensive study of the model over a wide range of the parameters a new class of phenomena, not present in the original deGennes-Ginzburg-Landau model, has been found. These include: a) re-entrant phase transitions between the cholesteric and the cubic blue phases and b) the existence of distinct phases of the same symmetry but of different biaxialities. The phase biaxiality serves here as an extra scalar order parameter. Furthermore, it has been shown that due to the presence of the competing bulk terms in the free energy, the stable phases may acquire a large degree of biaxiality, also in liquid crystalline materials composed of effectively uniaxial molecules. A study of icosahedral space group symmetries gives a partial answer to the question as to whether an icosahedral quasicrystalline liquid could be stabilized in liquid crystals. Although, in general, the stability of icosahedral structures could be enhanced by the extra terms in the free energy no absolutely stable icosahedral phase has been found. (author). 16 refs, 3 figs, 1 tab

Selectively deuterated liquid crystalline cyanoazobenzene side-chain polyesters. 3. Investigations of laser induced segmental mobility by Fourier transform infrared spectroscopy

DEFF Research Database (Denmark)

Kulinna, Christian; Hvilsted, Søren; Hendann, Claudia

1998-01-01

The laser-induced anisotropy in thin films of an extensive number of cyanoazobenzene sidechain liquid crystalline polytetradecanedioates, -dodecanedioates, and -adipates selectively deuterated at different positions have been investigated with polarized FTIR spectroscopy. The analysis of the segm......The laser-induced anisotropy in thin films of an extensive number of cyanoazobenzene sidechain liquid crystalline polytetradecanedioates, -dodecanedioates, and -adipates selectively deuterated at different positions have been investigated with polarized FTIR spectroscopy. The analysis...... of the segmental orientation based on dichroic ratios of characteristic absorption bands shows that, in polyesters with long main-chain spacing (tetradecanedioates and dodecanedioates), not only the light sensitive azo chromophore but also the main-chain methylene segment and to a smaller extent the flexible...

Formulation and development of bicontinuous nanostructured liquid crystalline particles of efavirenz.

Science.gov (United States)

Avachat, Amelia M; Parpani, Shreekrishna S

2015-02-01

Efavirenz is a lipophilic non-nucleoside reverse transcriptase inhibitor used in the first-line pediatric therapeutic cocktail. Due to its high lipophilicity (logP = 5.4) and poor aqueous solubility (intrinsic water solubility = 8.3 μg/mL) efavirenz has low bioavailability. A 30 mg/mL solution in a medium-chain triglyceride vehicle is the only pediatric formulation available with an oral bioavailability 20% lower than the solid form. The current work was aimed at formulating and characterizing liquid crystal nanoparticles for oral delivery of efavirenz to improve oral bioavailability, provide sustained release, minimize side effects and drug resistance. Formulation of cubosomes was done by two methods; sonication and spray drying. Sonication gave highest entrapment efficiency and least particle size. Further, monoolein was substituted with phytantriol as monoolein gets degraded in the presence of lipase when administered orally with consequent loss of liquid crystalline structure. It was confirmed that there was no difference in particle size, entrapment efficiency and nature of product formed by using monoolein or phytantriol. The best formulation was found to be F9, having particle size 104.19 ± 0.21 nm and entrapment efficiency 91.40 ± 0.10%. In vitro release at the end of 12h was found to be 56.45% and zeta potential to be -23.14 mV which stabilized the cubic phase dispersions. It was further characterized for TEM, small angle X-ray scattering (SAXS), DSC and stability studies. SAXS revealed Pn3m space group, indicating a diamond cubic phase which was further confirmed by TEM. Pharmacokinetics of EFV was studied in male Wistar rats. EFV-loaded cubosome dispersions exhibited 1.93 and 1.62-fold increase in peak plasma concentration (Cmax) and 1.48 and 1.42-fold increase in AUC in comparison to that of a suspension prepared with the contents of EFV capsules suspended in 1.5% carboxymethylcellulose PBS solution (pH 5.0), and an EFV solution in medium

Enhancing osteogenic differentiation of MC3T3-E1 cells by immobilizing RGD onto liquid crystal substrate

International Nuclear Information System (INIS)

Wu, Shaopeng; Yang, Xiaohui; Li, Wenqiang; Du, Lin; Zeng, Rong; Tu, Mei

2017-01-01

To understand the effects of GRGDF modification on MC3T3-E1 cell behavior, we cultured these cells onto a biomimetic liquid crystalline matrix modified with GRGDF peptide (OPC-GA-RGD). Successful immobilization of GRGDF on the liquid crystalline surface was verified by fluorescent labeling, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). OPC-GA-RGDs retained its liquid crystalline feature after surface modification. The RGD-immobilized OPC substrate was hardly beneficial to initial cell adhesion but could support long-term cell survival. The enhancement in cell proliferation did not correlate with RGD density. The lower GRGDF density immobilized on the liquid crystalline OPC matrix (OPC-GA-RGD3) promoted cell adhesion, proliferation, ALP expression level and mineralization, suggesting that both the viscoelasticity-based mechanical stimuli and receptor/ligand-based biochemical cue synergistically modulate MC3T3-E1 cell behavior. - Highlight: • A novel type of GRGDF-immobilized liquid crystalline matrices was fabricated and served as a substrate for the in vitro culture of MC3T3-E1 cells. • The lower RGD density might provide a better condition for initial cell adhesion and proliferation, up-regulation of ALP expression levels, and mineralization. • The intrinsic liquid crystalline feature of OPC matrix, instead of RGD efficiency, promoted initial cell adhesion. • Properties of the liquid crystalline OPC matrix together with the stable receptor-ligand binging synergistically modulated MC3T3-E1 cell behavior.

Enhancing osteogenic differentiation of MC3T3-E1 cells by immobilizing RGD onto liquid crystal substrate

Energy Technology Data Exchange (ETDEWEB)

Wu, Shaopeng; Yang, Xiaohui; Li, Wenqiang; Du, Lin; Zeng, Rong; Tu, Mei, E-mail: tumei@jnu.edu.cn

2017-02-01

To understand the effects of GRGDF modification on MC3T3-E1 cell behavior, we cultured these cells onto a biomimetic liquid crystalline matrix modified with GRGDF peptide (OPC-GA-RGD). Successful immobilization of GRGDF on the liquid crystalline surface was verified by fluorescent labeling, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). OPC-GA-RGDs retained its liquid crystalline feature after surface modification. The RGD-immobilized OPC substrate was hardly beneficial to initial cell adhesion but could support long-term cell survival. The enhancement in cell proliferation did not correlate with RGD density. The lower GRGDF density immobilized on the liquid crystalline OPC matrix (OPC-GA-RGD3) promoted cell adhesion, proliferation, ALP expression level and mineralization, suggesting that both the viscoelasticity-based mechanical stimuli and receptor/ligand-based biochemical cue synergistically modulate MC3T3-E1 cell behavior. - Highlight: • A novel type of GRGDF-immobilized liquid crystalline matrices was fabricated and served as a substrate for the in vitro culture of MC3T3-E1 cells. • The lower RGD density might provide a better condition for initial cell adhesion and proliferation, up-regulation of ALP expression levels, and mineralization. • The intrinsic liquid crystalline feature of OPC matrix, instead of RGD efficiency, promoted initial cell adhesion. • Properties of the liquid crystalline OPC matrix together with the stable receptor-ligand binging synergistically modulated MC3T3-E1 cell behavior.

Highly stable noble-metal nanoparticles in tetraalkylphosphonium ionic liquids for in situ catalysis.

Science.gov (United States)

Banerjee, Abhinandan; Theron, Robin; Scott, Robert W J

2012-01-09

Gold and palladium nanoparticles were prepared by lithium borohydride reduction of the metal salt precursors in tetraalkylphosphonium halide ionic liquids in the absence of any organic solvents or external nanoparticle stabilizers. These colloidal suspensions remained stable and showed no nanoparticle agglomeration over many months. A combination of electrostatic interactions between the coordinatively unsaturated metal nanoparticle surface and the ionic-liquid anions, bolstered by steric protection offered by the bulky alkylated phosphonium cations, is likely to be the reason behind such stabilization. The halide anion strongly absorbs to the nanoparticle surface, leading to exceptional nanoparticle stability in halide ionic liquids; other tetraalkylphosphonium ionic liquids with non-coordinating anions, such as tosylate and hexafluorophosphate, show considerably lower affinities towards the stabilization of nanoparticles. Palladium nanoparticles stabilized in the tetraalkylphosphonium halide ionic liquid were stable, efficient, and recyclable catalysts for a variety of hydrogenation reactions at ambient pressures with sustained activity. Aerial oxidation of the metal nanoparticles occurred over time and was readily reversed by re-reduction of oxidized metal salts. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The orientation-enhancing effect of diphenyl aluminium phosphate nanorods in a liquid-crystalline epoxy matrix ordered by magnetic field

Czech Academy of Sciences Publication Activity Database

Mossety-Leszczak, B.; Strachota, Beata; Strachota, Adam; Steinhart, Miloš; Šlouf, Miroslav

2015-01-01

Roč. 72, November (2015), s. 238-255 ISSN 0014-3057 Institutional support: RVO:61389013 Keywords : liquid-crystalline epoxy resins * magnetic field orientation * nanocomposites Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.485, year: 2015

Mesophase and size manipulation of itraconazole liquid crystalline nanoparticles produced via quasi nanoemulsion precipitation.

Science.gov (United States)

Mugheirbi, Naila A; Tajber, Lidia

2015-10-01

The fabrication of drug nanoparticles (NPs) with process-mediated tunable properties and performances continues to grow rapidly during the last decades. This study investigates the synthesis and phase tuning of nanoparticulate itraconazole (ITR) mesophases using quasi nanoemulsion precipitation from acetone/water systems to seek out an alternative pathway to the nucleation-based NP formation. ITR liquid crystalline (LC) phases were formed and nematic-smectic mesomorphism was achieved via controlling solvent:antisolvent temperature difference (ΔTS:AS). The use of ΔTS:AS=49.5°C was associated with a nematic assembly, while intercalated smectic A layering was observed at ΔTS:AS=0°C, with both phases confined in the nanospheres at room temperature. The quasi emulsion system has not been investigated at the nanoscale to date and in contrary to the microscale, quasi nanoemulsion was observed over the solvent:antisolvent viscosity ratios of 1:7-1:1.4. Poly(acrylic acid) in the solvent phase exhibited a concentration dependent interaction when ITR formed NPs. This nanodroplet-based approach enabled the preparation of a stable ITR nanodispersion using Poloxamer 407 at 80°C, which was unachievable before using precipitation via nucleation. Findings of this work lay groundwork in terms of rationalised molecular assembly as a tool in designing pharmaceutical LC NPs with tailored properties. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis of Programmable Main-chain Liquid-crystalline Elastomers Using a Two-stage Thiol-acrylate Reaction

OpenAIRE

Saed, Mohand O.; Torbati, Amir H.; Nair, Devatha P.; Yakacki, Christopher M.

2016-01-01

This study presents a novel two-stage thiol-acrylate Michael addition-photopolymerization (TAMAP) reaction to prepare main-chain liquid-crystalline elastomers (LCEs) with facile control over network structure and programming of an aligned monodomain. Tailored LCE networks were synthesized using routine mixing of commercially available starting materials and pouring monomer solutions into molds to cure. An initial polydomain LCE network is formed via a self-limiting thiol-acrylate Michael-addi...

The importance of orientation in proton transport of a polymer film based on an oriented self-organized columnar liquid-crystalline polyether

Energy Technology Data Exchange (ETDEWEB)

Tylkowski, Bartosz; Castelao, Nuria [Departament d' Enginyeria Quimica, Universitat Rovira i Virgili, Av. Paiesos Catalans, 26, E-43007, Tarragona (Spain); Giamberini, Marta, E-mail: marta.giamberini@urv.net [Departament d' Enginyeria Quimica, Universitat Rovira i Virgili, Av. Paiesos Catalans, 26, E-43007, Tarragona (Spain); Garcia-Valls, Ricard [Departament d' Enginyeria Quimica, Universitat Rovira i Virgili, Av. Paiesos Catalans, 26, E-43007, Tarragona (Spain); Reina, Jose Antonio [Departament de Quimica Analitica i Quimica Organica, Universitat Rovira i Virgili, Carrer Marcel.li Domingo s/n, E-43007, Tarragona (Spain); Gumi, Tania [Departament d' Enginyeria Quimica, Universitat Rovira i Virgili, Av. Paiesos Catalans, 26, E-43007, Tarragona (Spain)

2012-02-01

We prepared membranes based on a liquid-crystalline side-chain polyether obtained by chemical modification of commercial poly(epichlorohydrin) (PECH) with dendrons. This polymer exhibited a columnar structure, which could form an ion channel in the inner part. The columns were successfully oriented by taking advantage of surface interactions between the polymer and hydrophilic substrates, as confirmed by X-ray diffraction analysis (XRD), environmental scanning electron microscopy (ESEM) and optical microscopy between crossed polars (POM). Column orientation was found to be crucial for effective transport: the oriented membranes exhibited proton transport comparable to that of Nafion Registered-Sign N117 and no water uptake. An increase in sodium ion concentration in the feed phase suggested a proton/cation antiport. On the contrary, no proton transport was detected on unoriented membranes based on the same liquid-crystalline side-chain polyether or on unmodified PECH. - Highlights: Black-Right-Pointing-Pointer We prepared oriented membranes based on a liquid crystalline columnar polyether. Black-Right-Pointing-Pointer In this structure, the inner polyether chain could work as an ion channel. Black-Right-Pointing-Pointer We obtained membranes by casting a chloroform solution in the presence of water. Black-Right-Pointing-Pointer Membranes showed good proton permeability due to the presence of oriented channels.

The importance of orientation in proton transport of a polymer film based on an oriented self-organized columnar liquid-crystalline polyether

International Nuclear Information System (INIS)

Tylkowski, Bartosz; Castelao, Nuria; Giamberini, Marta; Garcia-Valls, Ricard; Reina, José Antonio; Gumí, Tània

2012-01-01

We prepared membranes based on a liquid-crystalline side-chain polyether obtained by chemical modification of commercial poly(epichlorohydrin) (PECH) with dendrons. This polymer exhibited a columnar structure, which could form an ion channel in the inner part. The columns were successfully oriented by taking advantage of surface interactions between the polymer and hydrophilic substrates, as confirmed by X-ray diffraction analysis (XRD), environmental scanning electron microscopy (ESEM) and optical microscopy between crossed polars (POM). Column orientation was found to be crucial for effective transport: the oriented membranes exhibited proton transport comparable to that of Nafion® N117 and no water uptake. An increase in sodium ion concentration in the feed phase suggested a proton/cation antiport. On the contrary, no proton transport was detected on unoriented membranes based on the same liquid-crystalline side-chain polyether or on unmodified PECH. - Highlights: ► We prepared oriented membranes based on a liquid crystalline columnar polyether. ► In this structure, the inner polyether chain could work as an ion channel. ► We obtained membranes by casting a chloroform solution in the presence of water. ► Membranes showed good proton permeability due to the presence of oriented channels.

Droplet snap-off in fluids with nematic liquid crystalline ordering

International Nuclear Information System (INIS)

Verhoeff, A A; Lekkerkerker, H N W

2012-01-01

We studied the snap-off of nematic liquid crystalline droplets originating from the Rayleigh-Taylor instability at the isotropic-nematic interface in suspensions of charged gibbsite in water and sterically stabilized gibbsite in bromotoluene. We found that droplet snap-off strongly depends on the director field structure inside the thinning neck, which is determined by the ratio of the splay elastic constant and the anchoring strength of the nematic phase to the droplet interface relative to the thickness of the thinning neck. If anchoring is weak, which is the case for aqueous gibbsite, this ratio is comparable to the thickness of the breaking thread. As a result, the thinning neck and pending drop have a uniform director field and droplet snap-off is determined by the viscous properties of the liquid crystal as well as by thermal fluctuations of the interface. On the other hand, in sterically stabilized gibbsite where anchoring is strong, this ratio is significantly smaller than the neck thickness. In this case, the neck has an escaped radial director field and the neck thinning is retarded close to snap-off due to a topological energy barrier involved in the separation of the droplet from the thread. (paper)

Alignment engineering in liquid crystalline elastomers: Free-form microstructures with multiple functionalities

Energy Technology Data Exchange (ETDEWEB)

Zeng, Hao; Cerretti, Giacomo; Wiersma, Diederik S., E-mail: camilla.parmeggiani@lens.unifi.it, E-mail: wiersma@lens.unifi.it [European Laboratory for Non Linear Spectroscopy (LENS), University of Florence, via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Wasylczyk, Piotr [European Laboratory for Non Linear Spectroscopy (LENS), University of Florence, via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Faculty of Physics, Institute of Experimental Physics, University of Warsaw, ul. Hoza 69, Warszawa 00-681 (Poland); Martella, Daniele [European Laboratory for Non Linear Spectroscopy (LENS), University of Florence, via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Dipartimento di Chimica “Ugo Schiff,” University of Florence, via della Lastruccia 3-13, 50019 Sesto Fiorentino (Italy); Parmeggiani, Camilla, E-mail: camilla.parmeggiani@lens.unifi.it, E-mail: wiersma@lens.unifi.it [European Laboratory for Non Linear Spectroscopy (LENS), University of Florence, via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); CNR-INO, via Nello Carrara 1, 50019 Sesto Fiorentino (Italy)

2015-03-16

We report a method to fabricate polymer microstructures with local control over the molecular orientation. Alignment control is achieved on molecular level in a structure of arbitrary form that can be from 1 to 100 μm in size, by fixing the local boundary conditions with micro-grating patterns. The method makes use of two-photon polymerization (Direct Laser Writing) and is demonstrated specifically in liquid-crystalline elastomers. This concept allows for the realization of free-form polymeric structures with multiple functionalities which are not possible to realize with existing techniques and which can be locally controlled by light in the micrometer scale.

The effect of glassfibre, graphite and MoS2 on the tribological performance of a liquid crystalline polymer

NARCIS (Netherlands)

Dufour, P.R.; de Gee, A.W.J.; Kingma, J.A.; Mens, J.W.M.

1992-01-01

A thermotropic liquid crystalline polymer (LCP) with a high melting point of approximately 400 °C, unfilled and filled with glassfibre, MoS2 or graphitic carbon was tested in dry sliding contact with steel. Three different test methods were applied, i.e. measurement of coefficient of friction and

Mean-field theory of photoinduced molecular reorientation in azobenzene liquid crystalline side-chain polymers

DEFF Research Database (Denmark)

Pedersen, T.G.; Johansen, P.M.

1997-01-01

. The theory provides an explanation for the high long-term stability of the photoinduced anisotropy as well as a theoretical prediction of the temporal behavior of photoinduced birefringence. The theoretical results agree favorably with measurements in the entire range of writing intensities used......A novel mean-field theory of photoinduced reorientation and optical anisotropy in liquid crystalline side-chain polymers is presented and compared with experiments, The reorientation mechanism is based on photoinduced trans cis isomerization and a multidomain model of the material is introduced...

Atomic force and optical near-field microscopic investigations of polarization holographic gratings in a liquid crystalline azobenzene side-chain polyester

DEFF Research Database (Denmark)

Ramanujam, P.S.; Holme, N.C.R.; Hvilsted, S.

1996-01-01

Atomic force and scanning near-field optical microscopic investigations have been carried out on a polarization holographic grating recorded in an azobenzene side-chain Liquid crystalline polyester. It has been found that immediately following laser irradiation, a topographic surface grating...

Novel side-chain liquid crystalline polyester architecture for reversible optical storage

DEFF Research Database (Denmark)

Hvilsted, Søren; Andruzzi, Fulvio; Kulinna, Chrisian

1995-01-01

New side-chain liquid crystalline polyesters have been prepared by melt transesterification of diphenyl tetradecanedioate and a series of mesogenic 2-[omega-[4-[(4-cyanophenyl)azo]phenoxyl] alkyl]-1,3-propanediols, where the alkyl spacer is hexa-, octa-, and decamethylene in turn. The polyesters...... have molecular masses in the range 5000-89 000. Solution C-13 NMR spectroscopy has been employed to identify carbons of polyester repeat units and of both types of end groups. Polyester phases and phase transitions have been investigated in detail by polarizing optical microscopy and differential...... scanning calorimetry for the hexamethylene spacer architecture with different molecular masses. Using FTIR polarization spectroscopy, the segmental orientation in unoriented polyester films induced by argon ion laser irradiation has been followed and an irradiation-dependent order parameter...

LIQUID CRYSTALLINE BEHAVIOR OF HYDROXYPROPYL CELLULOSE ESTERIFIED WITH 4-ALKOXYBENZOIC ACID.

Directory of Open Access Journals (Sweden)

Yehia Fahmy

2010-07-01

Full Text Available A series of 4- alkyoxybenzoyloxypropyl cellulose (ABPC-n samples was synthesized via the esterification of hydroxypropyl cellulose (HPC with 4-alkoxybenzoic acid bearing different numbers of carbon atoms. The molecular structure of the ABPC-n was confirmed by Fourier transform infrared (FT-IR spectroscopy and 1H NMR spectroscopy. The liquid crystalline (LC phases and transitions behaviors were investigated using differential scanning calorimetry (DSC, polarized light microscopy (PLM, and refractometry. It was found that the glass transition (Tg and clearing (Tc temperatures decrease with increase of the alkoxy chain length. It was observed that the derivatives with an odd number of carbon atoms are non-mesomorphic. This series of ABPC-n polymers exhibit characteristic features of cholesteric LC phases between their glass transition and isotropization temperatures.

Magnetic Field Alignment of PS-P4VP: a Non-Liquid Crystalline Coil-Coil Block Copolymer

Science.gov (United States)

Rokhlenko, Yekaterina; Zhang, Kai; Larson, Steven; Gopalan, Padma; O'Hern, Corey; Osuji, Chinedum

2015-03-01

Magnetic fields provide the ability to control alignment of self-assembled soft materials such as block copolymers. Most prior work in this area has relied on the presence of ordered assemblies of anisotropic liquid crystalline species to ensure sufficient magnetic anisotropy to drive alignment. Recent experiments with poly(styrene-b-4-vinylpyridine), a non-liquid crystalline BCP, however, show field-induced alignment of a lamellar microstructure during cooling across the order-disorder transition. Using in situ x-ray scattering, we examine the roles of field strength and cooling rate on the alignment response of this low MW coil-coil BCP. Alignment is first observed at field strengths as low as 1 Tesla and improves markedly with both increasing field strength and slower cooling. We present a geometric argument to illustrate the origin of a finite, non-trivial magnetic susceptibility anisotropy for highly stretched surface-tethered polymer chains and corroborate this using coarse-grained molecular dynamics simulations. We rationalize the magnetic field response of the system in terms of the mobility afforded by the absence of entanglements, the intrinsic anisotropy resulting from the stretched polymer chains and sterically constrained conjugated rings, and the large grain size in these low molecular weight materials.

Crystalline mesoporous zirconia catalysts having stable tetragonal pore wall structure

Science.gov (United States)

Sachtler, W.M.H.; Huang, Y.Y.

1998-07-28

Methods are disclosed for the preparation of new sulfated mesoporous zirconia materials/catalysts with crystalline pore walls of predominantly tetragonal crystal structure, characterized by nitrogen physical sorption measurement, X-ray diffraction, transmission electron microscopy and catalytic tests using n-butane isomerization to iso-butane and alkylation of 1-naphthol with 4-tert-butylstyrene as probe reactions. Sulfate deposition is preferred for the transformation of a mesoporous precursor with amorphous pore walls into a material with crystalline pore walls maintaining the mesoporous characteristics. 17 figs.

Active Mesogenic Droplets: Impact of Liquid Crystallinity and Collective Behavior

Science.gov (United States)

Bahr, Christian

Droplets of common mesogenic compounds show a self-propelled motion when immersed in aqueous solutions containing ionic surfactants at concentrations well above the critical micelle concentration. After introducing some general properties of this type of artificial microswimmer, we focus on two topics: the influence of liquid crystallinity on the swimming behavior and the collective behavior of ensembles of a larger number of droplets. The mesogenic properties are not essential for the basic mechanism of self-propulsion, nevertheless they considerably influence the swimming behavior of the droplets. For instance, the shape of the trajectories strongly depends on whether the droplets are in the nematic or isotropic state. The droplet swimmers are also ideally suited for the study of collective behavior: Microfluidics enables the generation of large numbers of identical swimmers and we can tune their buoyancy. We report on the collective behavior in three-dimensional environments. Supported by the Deutsche Forschungsgemeinschaft (SPP 1726 ``Microswimmers'').

On the “Tertiary Structure” of Poly-Carbenes; Self-Assembly of sp3-Carbon-Based Polymers into Liquid-Crystalline Aggregates

NARCIS (Netherlands)

Franssen, N.G.M.; Ensing, B.; Hegde, M.; Dingemans, T.J.; Norder, B.; Picken, S.J.; Alberda van Ekenstein, G.O.R.; van Eck, E.R.H.; Elemans, J.A.A.W; Vis, M.; Reek, J.N.H.; de Bruin, B.

2013-01-01

The self-assembly of poly(ethylidene acetate) (st-PEA) into van der Waals-stabilized liquid-crystalline (LC) aggregates is reported. The LC behavior of these materials is unexpected, and unusual for flexible sp(3)-carbon backbone polymers. Although the dense packing of polar ester functionalities

Radioactive and stable metal bioaccumulation, crystalline compound and siderophore detection in Clavariadelphus truncatus

International Nuclear Information System (INIS)

Gaso, M.I.; Segovia, N.; Morton, O.; Lopez, J.L.; Machuca, A.; Hernandez, E.

2007-01-01

137 Cs and 40 K activity concentrations and stable elements have been measured in Clavariadelphus truncatus collected in Mexico. Iron-chelating compounds of siderophore-type was also studied in the species. 137 Cs and 40 K were determined in soil and mushroom samples with HpGe gamma-ray spectrometry. Macro- and micro-elemental concentrations were determined by XRF and ICP-MS. Siderophore detection was obtained with a colorimetric assay and X-ray diffraction analysis was performed using a Siemens D5000 diffractometer. 137 Cs geometric mean concentration in C. truncatus was 26 times higher as compared with other Mexican edible mushroom species, while 40 K showed stability. Soil-C. truncatus concentration ratio for 137 Cs and other micro-elements such as Cs, Rb and Pb were also higher than other Mexican edible species. The 137 Cs committed effective dose due to the ingestion of C. truncatus was 8 x 10 -6 Sv year -1 . The main crystalline structure found in C. truncatus was D-Mannitol

Sandwich-cell-type bulk-heterojunction organic solar cells utilizing liquid crystalline phthalocyanine

Science.gov (United States)

Nakata, Yuya; Usui, Toshiki; Nishikawa, Yuki; Nekelson, Fabien; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

2018-03-01

Sandwich-cell-type bulk-heterojunction organic solar cells utilizing the liquid crystalline phthalocyanine, 1,4,8,11,15,18,22,25-octahexylphthalocyanine (C6PcH2), have been fabricated and their photovoltaic properties have been studied. The short-circuit current (J SC) and power conversion efficiency (PCE) depended on the blend ratio of donor and acceptor molecules, and the maximum performance, such as J SC of 3.4 mA/cm2 and PCE of 0.67%, was demonstrated, when the blend ratio of the acceptor was 10 mol %. The photovoltaic properties were discussed by taking the relationship between the column axis direction of C6PcH2 and the carrier mobility in the active layer into consideration.

Azobenzene side-chain liquid crystalline polyesters with outstanding optical storage properties

DEFF Research Database (Denmark)

Hvilsted, Søren; Pedersen, M; Holme, NCR

1998-01-01

A flexible azobenzene side-chain liquid crystalline (SCLC) polyester architecture employed for reversible optical storage is described. The modular design allows four structural parameters to be individually modified. These parameters: i- the methylene side-chain spacer length, ii- the substituent......,000 are routinely obtained by melt transesterification of the novel diols and selected diacid precursors (parameter iii). Prominent storage features include no prealignment of thin SCLC polyester films prior to the writing process, and sensitivity in a broad laser wavelength window (415-532 nm). Additionally...... sign of fatigue. The non-destructive read out is performed with red light (600-750 nm). Finally, erasing the information can be achieved by heating the polyester film to 80 degrees C or irradiating it briefly with UV-light. In the latter case at least 10,000 write, read and erase cycles are possible...

Fragile-to-fragile liquid transition at Tg and stable-glass phase nucleation rate maximum at the Kauzmann temperature TK

International Nuclear Information System (INIS)

Tournier, Robert F.

2014-01-01

An undercooled liquid is unstable. The driving force of the glass transition at T g is a change of the undercooled-liquid Gibbs free energy. The classical Gibbs free energy change for a crystal formation is completed including an enthalpy saving. The crystal growth critical nucleus is used as a probe to observe the Laplace pressure change Δp accompanying the enthalpy change −V m ×Δp at T g where V m is the molar volume. A stable glass–liquid transition model predicts the specific heat jump of fragile liquids at T≤T g , the Kauzmann temperature T K where the liquid entropy excess with regard to crystal goes to zero, the equilibrium enthalpy between T K and T g , the maximum nucleation rate at T K of superclusters containing magic atom numbers, and the equilibrium latent heats at T g and T K . Strong-to-fragile and strong-to-strong liquid transitions at T g are also described and all their thermodynamic parameters are determined from their specific heat jumps. The existence of fragile liquids quenched in the amorphous state, which do not undergo liquid–liquid transition during heating preceding their crystallization, is predicted. Long ageing times leading to the formation at T K of a stable glass composed of superclusters containing up to 147 atom, touching and interpenetrating, are evaluated from nucleation rates. A fragile-to-fragile liquid transition occurs at T g without stable-glass formation while a strong glass is stable after transition

Physically and chemically stable ionic liquid-infused textured surfaces showing excellent dynamic omniphobicity

Energy Technology Data Exchange (ETDEWEB)

Miranda, Daniel F.; Urata, Chihiro; Masheder, Benjamin; Dunderdale, Gary J.; Hozumi, Atsushi, E-mail: a.hozumi@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), 2266-98, Anagahora, Shimo-Shidami, Moriyama-ku, Nagoya, Aichi 463-8560 (Japan); Yagihashi, Makoto [Nagoya Municipal Industrial Research Institute, Rokuban, Atsuta-ku, Nagoya 456-0058 (Japan)

2014-05-01

A fluorinated and hydrophobic ionic liquid (IL), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, effectively served as an advantageous lubricating liquid for the preparation of physically and chemically stable omniphobic surfaces based on slippery liquid-infused porous surfaces. Here, we used particulate microstructures as supports, prepared by the chemical vapor deposition of 1,3,5,7-tetramethylcyclotetrasiloxane and subsequent surface modification with (3-aminopropyl)triethoxysilane. Confirmed by SEM and contact angle measurements, the resulting IL-infused microtextured surfaces are smooth and not only water but also various low surface tension liquids can easily slide off at low substrate tilt angles of <5°, even after exposure to high temperature, vacuum, and UV irradiation.

Physically and chemically stable ionic liquid-infused textured surfaces showing excellent dynamic omniphobicity

Directory of Open Access Journals (Sweden)

Daniel F. Miranda

2014-05-01

Full Text Available A fluorinated and hydrophobic ionic liquid (IL, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl imide, effectively served as an advantageous lubricating liquid for the preparation of physically and chemically stable omniphobic surfaces based on slippery liquid-infused porous surfaces. Here, we used particulate microstructures as supports, prepared by the chemical vapor deposition of 1,3,5,7-tetramethylcyclotetrasiloxane and subsequent surface modification with (3-aminopropyltriethoxysilane. Confirmed by SEM and contact angle measurements, the resulting IL-infused microtextured surfaces are smooth and not only water but also various low surface tension liquids can easily slide off at low substrate tilt angles of <5°, even after exposure to high temperature, vacuum, and UV irradiation.

Dangling bonds and crystalline inclusions in amorphous materials

Energy Technology Data Exchange (ETDEWEB)

Ferrari, L [Ferrara Univ. (Italy). Ist. di Matematica; Russo, G [Bologna Univ. (Italy). Ist. di Fisica

1981-02-07

It is suggested that on the surface of crystalline inclusions dangling bond formation is favoured due to unbalanced local stresses. The energy for bond tearings is probably originated from the exothermic process leading to the crystalline inclusion configuration which is more stable than the original amorphous one. A thermodynamical calculation is performed giving the ratio nsub(k) of crystalline inclusions having k dangling bonds on their surface.

New theories for smectic and nematic liquid-crystal polymers: Backbone LCPs [liquid crystalline polymers] and their mixtures and side-chain LCPs

International Nuclear Information System (INIS)

Dowell, F.

1987-01-01

A summary of predictions and explanations from statistical-physics theories for both backbone and side-chain liquid crystalline polymers (LCPs) and for mixtures with backbone LCPs are presented. Trends in the thermodynamic and molecular ordering properties have been calculated as a function of pressure, density, temperature, and molecule chemical structures (including degree of polymerization and the following properties of the chemical structures of the repeat units: lengths and shapes, intra-chain rotation energies, dipole moments, site-site polarizabilities and Lennard-Jones potentials, etc.) in nematic and multiple smectic-A LC phases and in the isotropic liquid phase. The theoretical results are found to be in good agreement with existing experimental data. These theories can also be applied to combined LCPs. Since these theories have no ad hoc or arbitrarily adjustable parameters, these theories can be used to design new LCPs and new solvents as well as to predict and explain properties. 27 refs., 4 tabs

Near room temperature approaches for the preparation of air-stable and crystalline CH{sub 3}NH{sub 3}PbI{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Gujarathi, Yogini D.; Haram, Santosh K., E-mail: haram@chem.unipune.ac.in

2016-04-15

This work demonstrates an exotic role of CH{sub 2}Cl{sub 2} in a formation of stable phase of highly crystalline CH{sub 3}NH{sub 3}PbI{sub 3} perovskite, on a bulk scale. In the first method, a partially-reacted product obtained after co-grinding of precursors viz. CH{sub 3}NH{sub 3}I and PbI{sub 2}was sonicated in CH{sub 2}Cl{sub 2} to form pure phase of CH{sub 3}NH{sub 3}PbI{sub 3}. In second method, the precursors in γ-Butyrolactone were treated with CH{sub 2}Cl{sub 2} to form crystalline and phase-pure CH{sub 3}NH{sub 3}PbI{sub 3}. X-ray Diffraction analysis confirmed the formation of stable and highly crystalline tetragonal phase of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite having space group I4cm. Well-defined rhombo-hexagonal dodecahedron crystals were seen in SEM and TEM images. Exceptional air stability of CH{sub 3}NH{sub 3}PbI{sub 3} so forms are attributed to adsorption of CH{sub 2}Cl{sub 2}. Optical band gaps obtained from the diffused reflectance spectra (Kubelka–Munk analysis), matched very well with the one estimated from Cyclic Voltammetry (CV). Valence band and conduction band edge positions estimated from the CV analysis are in good agreement with the one reported from UV photoelectron spectroscopy. Both the samples gave steady state fluorescence at ca. 750 nm with quantum yields in the range 15–35.5%. - Highlights: • A role of CH{sub 2}Cl{sub 2} is brought out in formation of stable CH{sub 3}NH{sub 3}PbI{sub 3} perovskite. • Cyclic voltammetry has been used to estimate the band edge positions. • Excellent fluorescence quantum yield, underlines the minimal structural defects.

Probing the Texture of the Calamitic Liquid Crystalline Dimer of 4-(4-Pentenyloxybenzoic Acid

Directory of Open Access Journals (Sweden)

Maher A. Qaddoura

2010-01-01

Full Text Available The liquid crystalline dimer of 4-(4-pentenyloxybenzoic acid, a member of the n-alkoxybenzoic acid homologous series, was synthesized using potassium carbonate supported on alumina as catalyst. The acid dimer complex exhibited three mesophases; identified as nematic, smectic X1 and smectic X2. Phase transition temperatures and the corresponding enthalpies were recorded using differential scanning calorimetry upon both heating and cooling. The mesophases were identified by detailed texture observations by variable temperature polarized light microscopy. The nematic phase was distinguished by a fluid Schlieren texture and defect points (four and two brushes while the smectic phases were distinguished by rigid marble and mosaic textures, respectively.

Effect of doxorubicin on the order and dynamics of the acyl chains of anionic and zwitterionic phospholipids in liquid-crystalline mixed model membranes

NARCIS (Netherlands)

Wolf, de F.A.; Nicolaij, K.; Kruijff, de B.

1992-01-01

We investigated the effect of the antineoplastic drug doxorubicin on the order of the acyl chains in liquid-crystalline mixed bilayers consisting of dioleoylphosphatidylserine (DOPS) or -phosphatidic acid (DOPA), and dioleoylphosphatidylcholine (DOPC) or - hosphatidylethanolamine (DOPE). Previous

Radioactive and stable metal bioaccumulation, crystalline compound and siderophore detection in Clavariadelphus truncatus

Energy Technology Data Exchange (ETDEWEB)

Gaso, M.I. [ININ, Ap. Post. 18-1027, C.P. 11801, Mexico D.F. (Mexico)], E-mail: migp@nuclear.inin.mx; Segovia, N. [Instituto de Geofisica, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: nurina@terra.com.mx; Morton, O. [Instituto de Geofisica, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: omorton@geofisica.unam.mx; Lopez, J.L. [Instituto de Geografia, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: jlc@servidor.unam.mx; Machuca, A. [Departmento Forestal, Universidad de Concepcion, Los Angeles (Chile)], E-mail: angmachu@udec.cl; Hernandez, E. [Instituto de Geofisica, UNAM, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico)], E-mail: aeliza@geofisica.unam.mx

2007-09-15

{sup 137}Cs and {sup 40}K activity concentrations and stable elements have been measured in Clavariadelphus truncatus collected in Mexico. Iron-chelating compounds of siderophore-type was also studied in the species. {sup 137}Cs and {sup 40}K were determined in soil and mushroom samples with HpGe gamma-ray spectrometry. Macro- and micro-elemental concentrations were determined by XRF and ICP-MS. Siderophore detection was obtained with a colorimetric assay and X-ray diffraction analysis was performed using a Siemens D5000 diffractometer. {sup 137}Cs geometric mean concentration in C. truncatus was 26 times higher as compared with other Mexican edible mushroom species, while {sup 40}K showed stability. Soil-C. truncatus concentration ratio for {sup 137}Cs and other micro-elements such as Cs, Rb and Pb were also higher than other Mexican edible species. The {sup 137}Cs committed effective dose due to the ingestion of C. truncatus was 8 x 10{sup -6} Sv year{sup -1}. The main crystalline structure found in C. truncatus was D-Mannitol.

Biomimetic spiral grating for stable and highly efficient absorption in crystalline silicon thin-film solar cells

KAUST Repository

Hou, Jin; Hong, Wei; Li, Xiaohang; Yang, Chunyong; Chen, Shaoping

2017-01-01

By emulating the phyllotaxis structure of natural plants, which has an efficient and stable light capture capability, a two-dimensional spiral grating is introduced on the surface of crystalline silicon solar cells to obtain both efficient and stable light absorption. Using the rigorous coupled wave analysis method, the absorption performance on structural parameter variations of spiral gratings is investigated firstly. Owing to diffraction resonance and excellent superficies antireflection, the integrated absorption of the optimal spiral grating cell is raised by about 77 percent compared with the conventional slab cell. Moreover, though a 15 percent deviation of structural parameters from the optimal spiral grating is applied, only a 5 percent decrease of the absorption is observed. This reveals that the performance of the proposed grating would tolerate large structural variations. Furthermore, the angular and polarization dependence on the absorption of the optimized cell is studied. For average polarizations, a small decrease of only 11 percent from the maximum absorption is observed within an incident angle ranging from −70 to 70 degrees. The results show promising application potentials of the biomimetic spiral grating in the solar cell.

Biomimetic spiral grating for stable and highly efficient absorption in crystalline silicon thin-film solar cells

KAUST Repository

Hou, Jin

2017-09-12

By emulating the phyllotaxis structure of natural plants, which has an efficient and stable light capture capability, a two-dimensional spiral grating is introduced on the surface of crystalline silicon solar cells to obtain both efficient and stable light absorption. Using the rigorous coupled wave analysis method, the absorption performance on structural parameter variations of spiral gratings is investigated firstly. Owing to diffraction resonance and excellent superficies antireflection, the integrated absorption of the optimal spiral grating cell is raised by about 77 percent compared with the conventional slab cell. Moreover, though a 15 percent deviation of structural parameters from the optimal spiral grating is applied, only a 5 percent decrease of the absorption is observed. This reveals that the performance of the proposed grating would tolerate large structural variations. Furthermore, the angular and polarization dependence on the absorption of the optimized cell is studied. For average polarizations, a small decrease of only 11 percent from the maximum absorption is observed within an incident angle ranging from −70 to 70 degrees. The results show promising application potentials of the biomimetic spiral grating in the solar cell.

Some problems of the statistical theory of polymeric lyotropic liquid crystals

International Nuclear Information System (INIS)

Grosberg, A.Yu.; Khokhlov, A.R.

1980-06-01

In this article we consider some topics of the statistical physics of liquid-crystalline phase in the solutions of stiff chain macromolecules. Among these topics are: the problem of the phase diagram for the liquid-crystalline transition in the solutions of completely stiff macromolecules (rigid rods); conditions of formation of the liquid-crystalline phase in the solutions of semiflexible macromolecules; possibility of the intramolecular liquid-crystalline ordering in semiflexible macromolecules; structure of intramolecular liquid crystals and dependence of the properties of the liquid-crystalline phase on the microstructure of the polymer chain. (author)

Quantum Dot/Liquid Crystal Nanocomposites in Photonic Devices

Directory of Open Access Journals (Sweden)

Andrea L. Rodarte

2015-07-01

Full Text Available Quantum dot/liquid crystal nano-composites are promising new materials for a variety of applications in energy harvesting, displays and photonics including the liquid crystal laser. To realize many applications, however, we need to control and stabilize nano-particle dispersion in different liquid crystal host phases and understand how the particles behave in an anisotropic fluid. An ideal system will allow for the controlled assembly of either well-defined nano-particle clusters or a uniform particle distribution. In this paper, we investigate mesogen-functionalized quantum dots for dispersion in cholesteric liquid crystal. These nanoparticles are known to assemble into dense stable packings in the nematic phase, and such structures, when localized in the liquid crystal defects, can potentially enhance the coupling between particles and a cholesteric cavity. Controlling the dispersion and assembly of quantum dots using mesogenic surface ligands, we demonstrate how resonant fluid photonic cavities can result from the co-assembly of luminescent nanoparticles in the presence of cholesteric liquid crystalline ordering.

Mesomorphous versus traces of crystallinity: The itraconazole example

Energy Technology Data Exchange (ETDEWEB)

Atassi, Faraj, E-mail: fatassi@yahoo.com; Behme, Robert J.; Patel, Phenil J.

2013-12-20

Highlights: • Characterizing partially disordered pharmaceuticals is very challenging due to the fact that more than one discrete disordered phase can be present. • Dynamic mechanical analysis and dielectric analysis are extremely helpful in characterizing pharmaceutical mesophases (liquid crystals). • Thermotropic pharmaceutical mesophases, often mistaken as amorphous or partially crystalline, can show different phases of liquid crystallinity at different temperature. • Liquid crystalline pharmaceutical materials often show amorphous behavior along with other characteristics specific to mesomorphous materials. • The thermal and mechanical history of pharmaceutical disordered samples has a significant effect on their phase composition. - Abstract: Characterizing disordered pharmaceutical materials can be challenging, especially materials with partially disordered structures that lose one or two directional order (mesophases) and do not fit the traditional characterization categories of amorphous, crystalline or a combination of the two. Itraconazole, an antifungal agent, was chosen as a model compound that, when quench cooled, exhibits atypical disordered structure. Five different analytical tools were used to map out the molecular structure of this material and how it changes with changing temperature. X-ray diffraction showed some remnant crystallinity while dielectric analysis, dynamic mechanical analysis, DSC and hot stage microscopy gave more detailed molecular structure of the disordered material and explained all temperature related structural changes. The characterization of mesomorphous Itraconazole described here will help characterize a wide range of pharmaceuticals that exhibit thermotropic (temperature induced) mesomorphism at the molecular level.

Mesomorphous versus traces of crystallinity: The itraconazole example

International Nuclear Information System (INIS)

Atassi, Faraj; Behme, Robert J.; Patel, Phenil J.

2013-01-01

Highlights: • Characterizing partially disordered pharmaceuticals is very challenging due to the fact that more than one discrete disordered phase can be present. • Dynamic mechanical analysis and dielectric analysis are extremely helpful in characterizing pharmaceutical mesophases (liquid crystals). • Thermotropic pharmaceutical mesophases, often mistaken as amorphous or partially crystalline, can show different phases of liquid crystallinity at different temperature. • Liquid crystalline pharmaceutical materials often show amorphous behavior along with other characteristics specific to mesomorphous materials. • The thermal and mechanical history of pharmaceutical disordered samples has a significant effect on their phase composition. - Abstract: Characterizing disordered pharmaceutical materials can be challenging, especially materials with partially disordered structures that lose one or two directional order (mesophases) and do not fit the traditional characterization categories of amorphous, crystalline or a combination of the two. Itraconazole, an antifungal agent, was chosen as a model compound that, when quench cooled, exhibits atypical disordered structure. Five different analytical tools were used to map out the molecular structure of this material and how it changes with changing temperature. X-ray diffraction showed some remnant crystallinity while dielectric analysis, dynamic mechanical analysis, DSC and hot stage microscopy gave more detailed molecular structure of the disordered material and explained all temperature related structural changes. The characterization of mesomorphous Itraconazole described here will help characterize a wide range of pharmaceuticals that exhibit thermotropic (temperature induced) mesomorphism at the molecular level

Self-assembled liquid crystalline nanoparticles as a novel ophthalmic delivery system for dexamethasone: Improving preocular retention and ocular bioavailability.

Science.gov (United States)

Gan, Li; Han, Shun; Shen, Jinqiu; Zhu, Jiabi; Zhu, Chunliu; Zhang, Xinxin; Gan, Yong

2010-08-30

The object of this study was to design novel self-assembled liquid crystalline nanoparticles (cubosomes) as an ophthalmic delivery system for dexamethasone (DEX) to improve its preocular retention and ocular bioavailability. DEX cubosome particles were produced by fragmenting a cubic crystalline phase of monoolein and water in the presence of stabilizer Poloxamer 407. Small angle X-ray diffraction (SAXR) profiles revealed its internal structure as Pn3m space group, indicating the diamond cubic phase. In vitro, the apparent permeability coefficient of DEX administered in cubosomes exhibited a 4.5-fold (F1) and 3.5-fold (F2) increase compared to that of Dex-Na phosphate eye drops. Preocular retention studies revealed that the retention of cubosomes was significantly longer than that of solution and carbopol gel, with AUC(0-->180min) of Rh B cubosomes being 2-3-fold higher than that of the other two formulations. In vivo pharmacokinetics in aqueous humor was evaluated by microdialysis, which indicated a 1.8-fold (F1) increase in AUC(0-->240min) of DEX administered in cubosomes relative to that of Dex-Na phosphate eye drops, with about an 8-fold increase compared to that of DEX suspension. Corneal cross-sections after incubation with DEX cubosomes demonstrated an unaffected corneal structure and tissue integrity, which indicated the good biocompatibility of DEX cubosomes. In conclusion, self-assembled liquid crystalline nanoparticles might represent a promising vehicle for effective ocular drug delivery. Crown Copyright 2010. Published by Elsevier B.V. All rights reserved.

Cubic liquid crystalline nanoparticles containing a polysaccharide from Ulva fasciata with potent antihyperlipidaemic activity

Directory of Open Access Journals (Sweden)

Azza A. Matloub

2018-02-01

Full Text Available The present study involves the preparation of cubic liquid crystalline nanoparticles (cubsomes for liver targeting to assess the potential of a formulated bioactive polysaccharide isolated from the hot aqueous extract of Ulva fasciata as an alternative natural agent with anti-hyperlipidaemic activity. Cubosomal nanoparticles were prepared by disrupting the cubic gel phase of the polysaccharide and water in the presence of a surfactant. Different lipid matrices and stabilizers were tested. All the formulations were in the nanosize range and showed sufficient negative charge to inhibit the aggregation of the cubosomes. Drug entrapment efficiencies (EEs% were determined and in vitro release studies were performed. Transmission electron microscopy (TEM and differential scanning calorimetry were used to analyze the loaded cubosomal nanoparticles containing glyceryl monostearate (GMO 2.25 g, poloxamer 407 (0.25 g and 50 mg of the polysaccharide. A preclinical study comparing the cubic liquid crystalline nanoparticles containing polysaccharide to fluvastatin as a reference drug in hyperlipidaemic rats was conducted. The rats treated with the polysaccharide- loaded cubosomes showed significant decreases in total cholesterol (TC, triglycerides (TG and total lipid (TL compared to the untreated HL rats. In addition, oxidative stress and antioxidant biomarkers were measured in the HL rats. Compared to the untreated HL rats, the cubosome treated rats showed a significant reduction in malondialdehyde (MDA, whereas insignificant changes were detected in nitric oxide (NO, glutathione (GSH levels and total antioxidant capacity (TAC. Further, vascular and intercellular adhesion molecules (VCAM, ICAM, and myeloperoxidase were demonstrated. A histopathological examination was conducted to study the alterations in histopathological lesions and to document the biochemical results. In conclusion, this study demonstrates the superiority of using a natural lipid

Preparation and Characterization of Liquid Crystalline Polyurethane/Al2O3/Epoxy Resin Composites for Electronic Packaging

Directory of Open Access Journals (Sweden)

Shaorong Lu

2012-01-01

Full Text Available Liquid crystalline polyurethane (LCPU/Al2O3/epoxy resin composites were prepared by using LCPU as modifier. The mechanical properties, thermal stability, and electrical properties of the LCPU/Al2O3/epoxy resin composites were investigated systematically. The thermal oxidation analysis indicated that LCPU/Al2O3/epoxy resin composites can sustain higher thermal decomposition temperature. Meanwhile, coefficient of thermal expansion (CTE was also found to decrease with addition of LCPU and nano-Al2O3.

PEGylation of Phytantriol-Based Lyotropic Liquid Crystalline Particles-The Effect of Lipid Composition, PEG Chain Length, and Temperature on the Internal Nanostructure

DEFF Research Database (Denmark)

Nilsson, Christa; Ostergaard, Jesper; Larsen, Susan Weng

2014-01-01

of these lipidic nonlamellar liquid crystalline particles by using DSPE-mPEGs with three different block lengths of the hydrophilic PEG segment. The effects of lipid composition, PEG chain length, and temperature on the morphology and internal nanostructure of these self-assembled lipidic aqueous dispersions based...

The influence of intraannular templates on the liquid crystallinity of shape-persistent macrocycles

Directory of Open Access Journals (Sweden)

Joscha Vollmeyer

2014-04-01

Full Text Available A series of shape-persistent phenylene–ethynylene–naphthylene–butadiynylene macrocycles with different extraannular alkyl groups and intraannular bridges is synthesized by oxidative Glaser-coupling of the appropriate precursors. The intraannular bridges serve in this case as templates that reduce the oligomerization even when the reaction is not performed under pseudo high-dilution conditions. The extraannular as well as the intraannular substituents have a strong influence on the thermal behavior of the compounds. With branched alkyl chains at the periphery, the macrocycles exhibit liquid crystalline (lc phases when the interior is empty or when the length of the alkyl bridge is just right to cross the ring. With a longer alkyl or an oligoethylene oxide bridge no lc phase is observed, most probably because the mesogene is no longer planar.

Data acquisition and quantitative analysis of stable hydrogen isotope in liquid and gas in the liquid phase catalytic exchange process

International Nuclear Information System (INIS)

Choi, H. J.; Lee, H. S.; Kim, K. R.; Cheong, H. S.; Ahn, D. H.; Lee, S. H.; Paek, S. W.; Kang, H. S.; Kim, J. G.

2001-01-01

A pilot plant for the Liquid Phase Catalytic Exchange process was built and has been operating to test the hydrophobic catalyst developed to remove the tritium generated at the CANDU nuclear power plants. The methods of quantitative analysis of hydrogen stable isotope were compared. Infrared spectroscopy was used for the liquid samples, and gas chromatography with hydrogen carrier gas showed the best result for gas samples. Also, a data acquisition system was developed to record the operation parameters. This record was very useful to investigate the causes of the system trip

Mirror Symmetry Breaking by Chirality Synchronisation in Liquids and Liquid Crystals of Achiral Molecules.

Science.gov (United States)

Tschierske, Carsten; Ungar, Goran

2016-01-04

Spontaneous mirror symmetry breaking is an efficient way to obtain homogeneously chiral agents, pharmaceutical ingredients and materials. It is also in the focus of the discussion around the emergence of uniform chirality in biological systems. Tremendous progress has been made by symmetry breaking during crystallisation from supercooled melts or supersaturates solutions and by self-assembly on solid surfaces and in other highly ordered structures. However, recent observations of spontaneous mirror symmetry breaking in liquids and liquid crystals indicate that it is not limited to the well-ordered solid state. Herein, progress in the understanding of a new dynamic mode of symmetry breaking, based on chirality synchronisation of transiently chiral molecules in isotropic liquids and in bicontinuous cubic, columnar, smectic and nematic liquid crystalline phases is discussed. This process leads to spontaneous deracemisation in the liquid state under thermodynamic control, giving rise to long-term stable symmetry-broken fluids, even at high temperatures. These fluids form conglomerates that are capable of extraordinary strong chirality amplification, eventually leading to homochirality and providing a new view on the discussion of emergence of uniform chirality in prebiotic systems. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

H-Bond stabilized columnar discotic liquid crystals

NARCIS (Netherlands)

Paraschiv, I.

2007-01-01

Since 1977, more than 2300 publications on discotic (disk-like) liquid crystalline materials have appeared. Discotic liquid crystals, which usually consist of polyaromatic molecules surrounded by long peripheral alkyl tails, can form liquid crystalline mesophases in a wide temperature range. Within

A Fundamental Approach to Developing Aluminium based Bulk Amorphous Alloys based on Stable Liquid Metal Structures and Electronic Equilibrium - 154041

Science.gov (United States)

2017-03-28

AFRL-AFOSR-JP-TR-2017-0027 A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal Structures and...to 16 Dec 2016 4.  TITLE AND SUBTITLE A Fundamental Approach to Developing Aluminium -based Bulk Amorphous Alloys based on Stable Liquid-Metal...Air Force Research Laboratory for accurately predicting compositions of new amorphous alloys specifically based on aluminium with properties superior

Relation between distribution coefficient of radioactive strontium and solid-liquid distribution ratio of background stable strontium

International Nuclear Information System (INIS)

Igarashi, Toshifumi; Mahara, Yasunori; Okamura, Masaki; Ashikawa, Nobuo.

1992-01-01

Distribution coefficients (K d ) of nuclides, which are defined as the ratio of the adsorbed concentration to the solution concentration, are important in predicting nuclide migration in the subsurface environment. This study was undertaken to contrust an effective method of determining the most pertinent K d value for simulating in situ distribution phenomena between the solid and liquid phases, by using background stable isotopes. This paper describes the applicability of this method to Sr by carrying out a batch Sr adsorption experiment where stable Sr coexisted with the radioactive isotope, 85 Sr, and by comparing the concentration distribution ratio of the background stable Sr with the K d value obtained by the batch experiment. The results showed that the K d of 85 Sr (K d85 ) agreed well with the K d of the coexisting stable Sr (K ds ) and that the two values decreased with an increase in the concentration of the stable Sr, when sand was used as an adsorbent. In addition, the K d85 corresponded to the ratio of the exchangeable solid-phase concentration of background stable Sr to the concentration of the background stable Sr in groundwater when the concentration of the coexisting stable Sr approached the background level. On the other hand, when powdered rock samples were used, the K d85 did not agree with the K ds , and the concentration distribution ratio of the background stable Sr was greater than the K d85 . This discrepancy might be due to the disequilibrium resulting from grinding the rock matrices. This suggests that measurement of the background stable Sr distribution ratio between the solid and liquid phases can be an effective method of estimating the K d of radioactive Sr when the groundwater is in satisfactory contact with the adsorption medium. (author)

Small Angle Neutron Scattering Studies on Blends of Poly (Styrene-ran-Vinyl Phenol) with Liquid Crystalline Polyurethane

Science.gov (United States)

Mehta, Rujul

2005-03-01

Molecular composites, composed of uniformly dispersed rigid-rod liquid crystalline polymer (LCP) molecules in a flexible amorphous polymer matrix, have remained hitherto elusive due to a scarcity of miscible systems containing a LCP and an amorphous polymer. The production of such a blend, with an experimentally accessible miscibility window, has become possible by modifying the architecture of the flexible polymer, so as to induce favorable intermolecular hydrogen bonding. Specifically, liquid crystalline polyurethanes (LCPU) are found to be miscible with a copolymer of styrene and vinyl phenol; with optimum hydrogen bonding between the carbonyl groups of the urethane linkages and the hydroxyl groups present in the styrenic matrix. Availability of a truly miscible molecular composite presents a unique opportunity of studying the confirmation of polymer chains containing rigid-rods that are uniformly dispersed in a flexible coil matrix. A system consisting of the LCPU and the deuterated styrenic copolymer containing 20% vinyl phenol is examined by Small Angle Neutron Scattering at the National Center for Neutron Research at Gaithersburg and Technology, and the Institute of Solid State Research (IFF) at Jülich. Scattering curves for neat dPS-VPh did not fit the Debye-Bueche model; indicating complex structure. A two correlation length Debye-Bueche model was considered to accommodate for this nonlinear behavior. This model utilizes four fitting parameters, including two correlation lengths a1 and a2, corresponding to a Debye-Bueche model and Guinier model.

Nonlinear optical properties of TeO$_2$ crystalline phases from first principles

OpenAIRE

Berkaine, Nabil; Orhan, Emmanuelle; Masson, Olivier; Thomas, Philippe; Junquera, Javier

2010-01-01

We have computed second and third nonlinear optical susceptibilities of two crystalline bulk tellurium oxide polymorphs: $\\alpha$-TeO$_{2}$ (the most stable crystalline bulk phase) and $\\gamma$-TeO$_{2}$ (the crystalline phase that ressembles the more to the glass phase. Third order nonlinear susceptibilities of the crystalline phases are two orders of magnitude larger than $\\alpha$-SiO$_{2}$ cristoballite, thus extending the experimental observations on glasses to the case of crystalline com...

Thermodynamics of Crystalline States

CERN Document Server

Fujimoto, Minoru

2010-01-01

Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

How ionic species structure influences phase structure and transitions from protic ionic liquids to liquid crystals to crystals.

Science.gov (United States)

Greaves, Tamar L; Broomhall, Hayden; Weerawardena, Asoka; Osborne, Dale A; Canonge, Bastien A; Drummond, Calum J

2017-12-14

The phase behaviour of n-alkylammonium (C6 to C16) nitrates and formates has been characterised using synchrotron small angle and wide angle X-ray scattering (SAXS/WAXS), differential scanning calorimetry (DSC), cross polarised optical microscopy (CPOM) and Fourier transform infrared spectroscopy (FTIR). The protic salts may exist as crystalline, liquid crystalline or ionic liquid materials depending on the alkyl chain length and temperature. n-Alkylammonium nitrates with n ≥ 6 form thermotropic liquid crystalline (LC) lamellar phases, whereas n ≥ 8 was required for the formate series to form this LC phase. The protic ionic liquid phase showed an intermediate length scale nanostructure resulting from the segregation of the polar and nonpolar components of the ionic liquid. This segregation was enhanced for longer n-alkyl chains, with a corresponding increase in the correlation length scale. The crystalline and liquid crystalline phases were both lamellar. Phase transition temperatures, lamellar d-spacings, and liquid correlation lengths for the n-alkylammonium nitrates and formates were compared with those for n-alkylammonium chlorides and n-alkylamines. Plateau regions in the liquid crystalline to liquid phase transition temperatures as a function of n for the n-alkylammonium nitrates and formates are consistent with hydrogen-bonding and cation-anion interactions between the ionic species dominating alkyl chain-chain van der Waals interactions, with the exception of the mid chained hexyl- and heptylammonium formates. The d-spacings of the lamellar phases for both the n-alkylammonium nitrates and formates were consistent with an increase in chain-chain layer interdigitation within the bilayer-based lamellae with increasing alkyl chain length, and they were comparable to the n-alkylammonium chlorides.

Nanostructured liquid crystalline particles as an alternative delivery vehicle for plant agrochemicals.

Science.gov (United States)

Nadiminti, Pavani P; Dong, Yao D; Sayer, Chad; Hay, Phillip; Rookes, James E; Boyd, Ben J; Cahill, David M

2013-03-13

Agrochemical spray formulations applied to plants are often mixed with surfactants that facilitate delivery of the active ingredient. However, surfactants cause phytotoxicity and off-target effects in the environment. We propose the use of nanostructured liquid crystalline particles (NLCP) as an alternative to surfactant-based agrochemical delivery. For this, we have compared the application of commercial surfactants, di (2-ethylhexyl) sulfosuccinate and alkyl dimethyl betaine, with NLCP made from phytantriol, at concentrations of 0.1%, 1% and 5% on the adaxial surface of leaves of four plant species Ttriticum aestivum (wheat), Zea mays (maize), Lupinus angustifolius (lupin), and Arabidopsis thaliana. In comparison with the application of surfactants there was less phytotoxicity on leaves of each species following treatment with NLCP. Following treatment of leaves with NLCP analysis of cuticular wax micromorphology revealed less wax solubilization in the monocot species. The results clearly show that there are advantages in the use of NLCP rather than surfactants for agrochemical delivery.

High diffraction efficiency polarization gratings recorded by biphotonic holography in an azobenzene liquid crystalline polyester

International Nuclear Information System (INIS)

Sanchez, C.; Alcala, R.; Hvilsted, S.; Ramanujam, P. S.

2001-01-01

High diffraction efficiencies have been achieved with polarization gratings recorded in thin films of an azobenzene side-chain liquid crystalline polyester by means of biphotonic processes. Efficiency values up to 30% have been reached after an induction period of 300 s and subsequent evolution with the sample in darkness. These values are at least two orders of magnitude higher than those previously reported for biphotonic recording. The gratings can be erased with unpolarized blue light and partial recovery of the diffraction efficiency has been observed after the erasure process when the sample is kept in darkness. Red light illumination of the erased film increases the recovered efficiency value and the recovery rate. [copyright] 2001 American Institute of Physics

Drug Release and Skin Permeation from Lipid Liquid Crystalline Phases

Science.gov (United States)

Costa-Balogh, F. O.; Sparr, E.; Sousa, J. J. S.; Pais, A. A. C. C.

We have studied drug release and skin permeation from several different liquid crystalline lipid formulations that may be used to control the respective release rates. We have studied the release and permeation through human skin of a water-soluble and amphiphilic drug, propranolol hydrochloride, from several formulations prepared with monoolein and phytantriol as permeation enhancers and controlled release excipients. Diolein and cineol were added to selected formulations. We observed that viscosity decreases with drug load, wich is compatible with the occurrence of phase changes. Diolein stabilizes the bicontinuous cubic phases leading to an increase in viscosity and sustained release of the drug. The slowest release was found for the cubic phases with higher viscosity. Studies on skin permeation showed that these latter formulations also presented lower permeability than the less viscous monoolein lamellar phases. Formulations containing cineol originated higher permeability with higher enhancement ratios. Thus, the various formulations are adapted to different circumstances and delivery routes. While a slow release is usually desired for drug sustained delivery, the transdermal route may require a faster release. Lamellar phases, which are less viscous, are more adapted to transdermal applications. Thus, systems involving lamellar phases of monoolein and cineol are good candidates to be used as skin permeation enhancers for propranolol hydrochloride.

Supramolecular liquid crystalline π-conjugates: the role of aromatic π-stacking and van der Waals forces on the molecular self-assembly of oligophenylenevinylenes.

Science.gov (United States)

Goel, Mahima; Jayakannan, M

2010-10-07

Here, we report a unique design strategy to trace the role of aromatic π-stacking and van der Waals interactions on the molecular self-organization of π-conjugated building blocks in a single system. A new series of bulky oligophenylenevinylenes (OPVs) bearing a tricyclodecanemethylene (TCD) unit in the aromatic π-core with flexible long methylene chains (n = 0-12 and 16) in the longitudinal position were designed and synthesized. The OPVs were found to be liquid crystalline, and their enthalpies of phase transitions (also entropies) showed odd-even oscillation with respect to the number of carbon atoms in alkyl chains. OPVs with an even number of methylene units in the side chains showed higher enthalpies with respect to their highly packed solid structures compared to odd-numbered ones. Polarized light microscopic analysis confirmed the formation of cholesteric liquid crystalline (LC) phases of fan shaped textures with focal conics in OPVs with 5 ≤ n ≤ 9. OPVs with longer alkyl chains (OPV-10 to OPV-12) produced a birefringence pattern consisting of dark and bright ring-banded suprastructures. The melting temperature followed a sigmoidal trend, indicating the transformation of molecular self-organization in OPVs from solid to ring-banded suprastructures via cholesteric LC intermediates. At longer alkyl chain lengths, the van der Waals interactions among the alkyl chains became predominant and translated the mesogenic effect across the lamellae; as a consequence, the lamellae underwent twisted self-organization along the radial growth direction of the spherulites to produce bright and dark bands. Scanning electron microscope (SEM) analysis of cholesteric LC and ring-banded textures strongly supported the existence of twisted lamellae in the OPVs with ring-banded textures. Variable temperature X-ray diffraction analysis confirmed the reversibility of the molecular self-organization in the solid state and also showed the existence of the higher ordered

The microwave heating mechanism of N-(4-methoxybenzyliden)-4-butylaniline in liquid crystalline and isotropic phases as determined using in situ microwave irradiation NMR spectroscopy.

Science.gov (United States)

Tasei, Yugo; Tanigawa, Fumikazu; Kawamura, Izuru; Fujito, Teruaki; Sato, Motoyasu; Naito, Akira

2015-04-14

Microwave heating effects are widely used in the acceleration of organic, polymerization and enzymatic reactions. These effects are primarily caused by the local heating induced by microwave irradiation. However, the detailed molecular mechanisms associated with microwave heating effects on the chemical reactions are not yet well understood. This study investigated the microwave heating effect of N-(4-methoxybenzylidene)-4-butylaniline (MBBA) in liquid crystalline and isotropic phases using in situ microwave irradiation nuclear magnetic resonance (NMR) spectroscopy, by obtaining (1)H NMR spectra of MBBA under microwave irradiation. When heated simply using the temperature control unit of the NMR instrument, the liquid crystalline MBBA was converted to the isotropic phase exactly at its phase transition temperature (Tc) of 41 °C. The application of microwave irradiation at 130 W for 90 s while maintaining the instrument temperature at 20 °C generated a small amount of isotropic phase within the bulk liquid crystal. The sample temperature of the liquid crystalline state obtained during microwave irradiation was estimated to be 35 °C by assessing the linewidths of the (1)H NMR spectrum. This partial transition to the isotropic phase can be attributed to a non-equilibrium local heating state induced by the microwave irradiation. The application of microwave at 195 W for 5 min to isotropic MBBA while maintaining an instrument temperature of 50 °C raised the sample temperature to 160 °C. In this study, the MBBA temperature during microwave irradiation was estimated by measuring the temperature dependent chemical shifts of individual protons in the sample, and the different protons were found to indicate significantly different temperatures in the molecule. These results suggest that microwave heating polarizes bonds in polar functional groups, and this effect may partly explain the attendant acceleration of organic reactions.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

Science.gov (United States)

Limmer, David T.; Chandler, David

2013-06-01

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011), 10.1063/1.3643333 and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

International Nuclear Information System (INIS)

Limmer, David T.; Chandler, David

2013-01-01

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys.135, 134503 (2011) and preprint http://arxiv.org/abs/arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

Energy Technology Data Exchange (ETDEWEB)

Limmer, David T.; Chandler, David, E-mail: chandler@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States)

2013-06-07

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys.135, 134503 (2011) and preprint http://arxiv.org/abs/arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II.

Science.gov (United States)

Limmer, David T; Chandler, David

2013-06-07

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011) and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

Synthesis, Characterization and Photoinduction of Optical Anisotropy in Liquid Crystalline Diblock Azo-Copolymers

DEFF Research Database (Denmark)

Forcén, P; Oriol, L; Sánchez, C

2007-01-01

Diblock copolymers with polymethyl methacrylate and side chain liquid crystalline WC) azopolymethacrylate blocks were synthesized by atom transfer radical polymerization (ATRP). The azobeazene content in these copolymers ranges from 52 to 7 wt %. For an azo conteat dowri to 20% they exhibit a LC...... anisotropy induced in these films by illumination with linearly polarized 488 nm light was studied and the resuits compared with those of the azo homopolymer and of a random copolymer with a similar composition. The formation of azo aggregates inside the azo blocks is strongly reduced in going from...... the homopolymer to the copolymers. Photoinduced azo orientation perpendicular to the 488 nm light polarization was found in aH the polymers. The orientational order parameter is very similar in the homopolymer and in the block copolymers with an azo content down to 20 wt %, while it is much lower in the random...

New theory for competing interactions and microstructures in partially-ordered (liquid-crystalline) phases

International Nuclear Information System (INIS)

Dowell, F.

1987-01-01

A summary of results from a unique statistical-physics theory to predict and explain competing interactions and resulting microstructures in some partially-ordered [in this case, liquid-crystalline (LC)] phases is presented. The static aspects of both partial orientational and partial positional ordering of the molecules into various microstructures in these phases (including the incommensurate smectic-Ad phase) can be understood in terms of various competing interactions (both entropic and energetic) involved in the packing together of the different molecular sub-units at given pressures and temperatures. These microstructures are predicted and explained (using no ad hoc or arbitrarily adjustable parameter) as a function of molecule chemical structure [including lengths and shapes (from bond lengths and angles), intramolecular rotations, site-site polarizabilities and pair potentials, dipole moments, etc]. Theoretical results are presented for the nematic, re-entrant nematic, smectic-Ad, and smectic-Al LC phases and the isotropic phase

Crystalline liquids: the blue phases

Science.gov (United States)

Wright, David C.; Mermin, N. David

1989-04-01

The blue phases of cholesteric liquid crystals are liquids that exhibit orientational order characterized by crystallographic space-group symmetries. We present here a pedagogical introduction to the current understanding of the equilibrium structure of these phases accompanied by a general overview of major experimental results. Using the Ginzburg-Landau free energy appropriate to the system, we first discuss in detail the character and stability of the usual helical phase of cholesterics, showing that for certain parameter ranges the helical phase is unstable to the appearance of one or more blue phases. The two principal models for the blue phases are two limiting cases of the Ginzburg-Landau theory. We explore each limit and conclude with some general considerations of defects in both models and an exact minimization of the free energy in a curved three-dimensional space.

Stimuli-responsive liquid crystalline materials

NARCIS (Netherlands)

Debije, M.G.; Schenning, A.P.H.J.; Hashmi, Saleem

2016-01-01

Stimuli-responsive materials which respond to triggers from the environment by changing their properties are one of the focal points in materials science. For precise functional properties, well-defined hierarchically ordered supramolecular materials are crucial. The self-assembly of liquid crystals

Alignment technology and applications of liquid crystal devices

CERN Document Server

Takatoh, Kohki; Hasegawa, Ray; Koden, Mitsushiro; Itoh, Nobuyuki; Hasegawa, Masaki

2005-01-01

Alignment phenomena are characteristic of liquid crystalline materials, and understanding them is critically important in understanding the essential features and behavior of liquid crystals and the performance of Liquid Crystal Devices (LCDs). Furthermore, in LCD production lines, the alignment process is of practical importance. Alignment Technologies and Applications of Liquid Crystal Devices demonstrates both the fundamental and practical aspects of alignment phenomena in liquid crystals. The physical basis of alignment phenomena is first introduced in order to aid the understanding of the various physical phenomena observed in the interface between liquid crystalline materials and alignment layer surfaces. Methods for the characterization of surfaces, which induce the alignment phenomena, and of the alignment layer itself are introduced. These methods are useful for the research of liquid crystalline materials and devices in academic research as well as in industry. In the practical sections, the alignme...

Hard sphere-like glass transition in eye lens α-crystallin solutions.

Science.gov (United States)

Foffi, Giuseppe; Savin, Gabriela; Bucciarelli, Saskia; Dorsaz, Nicolas; Thurston, George M; Stradner, Anna; Schurtenberger, Peter

2014-11-25

We study the equilibrium liquid structure and dynamics of dilute and concentrated bovine eye lens α-crystallin solutions, using small-angle X-ray scattering, static and dynamic light scattering, viscometry, molecular dynamics simulations, and mode-coupling theory. We find that a polydisperse Percus-Yevick hard-sphere liquid-structure model accurately reproduces both static light scattering data and small-angle X-ray scattering liquid structure data from α-crystallin solutions over an extended range of protein concentrations up to 290 mg/mL or 49% vol fraction and up to ca. 330 mg/mL for static light scattering. The measured dynamic light scattering and viscosity properties are also consistent with those of hard-sphere colloids and show power laws characteristic of an approach toward a glass transition at α-crystallin volume fractions near 58%. Dynamic light scattering at a volume fraction beyond the glass transition indicates formation of an arrested state. We further perform event-driven molecular dynamics simulations of polydisperse hard-sphere systems and use mode-coupling theory to compare the measured dynamic power laws with those of hard-sphere models. The static and dynamic data, simulations, and analysis show that aqueous eye lens α-crystallin solutions exhibit a glass transition at high concentrations that is similar to those found in hard-sphere colloidal systems. The α-crystallin glass transition could have implications for the molecular basis of presbyopia and the kinetics of molecular change during cataractogenesis.

Reactions and Interactions in Liquid Crystalline Media

Science.gov (United States)

1991-10-30

nematic lyophases of potassium laurate, myristyl tri methylammonium bromide or sodium decylsulfate with 1-decanol and 23 water. A strong retardation of the...crystalline polyacrylate crosslinked elastomers were synthesized. 198c 0 0 96 0 0 0O-(CH12 ) 2 -0O(k 97 Crosslinking, up to 10% of structural units produced...in their isotropic state and they work as the transporting phase for the azo-crown ether molecules. The permeation of K+ from a potassium p

Simulation of bulk phases formed by polyphilic liquid crystal dendrimers

Directory of Open Access Journals (Sweden)

J.M. Ilnytskyi

2010-01-01

Full Text Available A coarse-grained simulation model for a third generation liquid crystalline dendrimer (LCDr is presented. It allows, for the first time, for a successful molecular simulation study of a relation between the shape of a polyphilic macromolecular mesogen and the symmetry of a macroscopic phase. The model dendrimer consists of a soft central sphere and 32 grafted chains each terminated by a mesogen group. The mesogenic pair interactions are modelled by the recently proposed soft core spherocylinder model of Lintuvuori and Wilson [J. Chem. Phys, 128, 044906, (2008]. Coarse-grained (CG molecular dynamics (MD simulations are performed on a melt of 100 molecules in the anisotropic-isobaric ensemble. The model LCDr shows conformational bistability, with both rod-like and disc-like conformations stable at lower temperatures. Each conformation can be induced by an external aligning field of appropriate symmetry that acts on the mesogens (uniaxial for rod-like and planar for disc-like, leading to formation of a monodomain smectic A (SmA or a columnar (Col phase, respectively. Both phases are stable for approximately the same temperature range and both exhibit a sharp transition to an isotropic cubic-like phase upon heating. We observe a very strong coupling between the conformation of the LCDr and the symmetry of a bulk phase, as suggested previously by theory. The study reveals rich potential in terms of the application of this form of CG modelling to the study of molecular self-assembly of liquid crystalline macromolecules.

Crystallinity and properties of C60 nanotubes improved by annealing and alcohol-soaking

Science.gov (United States)

Naito, K.; Matsuishi, K.

2009-04-01

Well-uniformed C60 nanotubes were grown at -20 °C with irradiation of red light using C60-saturated pyridine solution and isopropyl alcohol by a liquid-liquid interfacial precipitation method without ultrasonic pulverization. We attempted to improve their crystallinity by two post-treatments; thermal annealing and alcohol-soaking. The crystallinity of as-grown and dried C60 nanotubes, which was poor due to the evaporation of solvent molecules from crystals in the drying process, was improved by annealing around 220 °C for 5 hours in vacuum. Dramatic improvement of crystallinity of as-grown samples was achieved by soaking into methanol and then drying in air. Raman, infrared and X-ray diffraction results suggest that the methanol-soaked samples exhibit a solvated tetragonal structure. The crystallinity improved by methanol-soaking did not degrade after removal of methanol molecules from samples by thermal annealing. Photo-polymerization of the structurally-improved C60 nanotubes was examined to investigate an effect of crystallinity on the polymerization kinetics.

Crystallinity and properties of C60 nanotubes improved by annealing and alcohol-soaking

International Nuclear Information System (INIS)

Naito, K; Matsuishi, K

2009-01-01

Well-uniformed C 60 nanotubes were grown at -20 deg. C with irradiation of red light using C 60 -saturated pyridine solution and isopropyl alcohol by a liquid-liquid interfacial precipitation method without ultrasonic pulverization. We attempted to improve their crystallinity by two post-treatments; thermal annealing and alcohol-soaking. The crystallinity of as-grown and dried C 60 nanotubes, which was poor due to the evaporation of solvent molecules from crystals in the drying process, was improved by annealing around 220 deg. C for 5 hours in vacuum. Dramatic improvement of crystallinity of as-grown samples was achieved by soaking into methanol and then drying in air. Raman, infrared and X-ray diffraction results suggest that the methanol-soaked samples exhibit a solvated tetragonal structure. The crystallinity improved by methanol-soaking did not degrade after removal of methanol molecules from samples by thermal annealing. Photo-polymerization of the structurally-improved C 60 nanotubes was examined to investigate an effect of crystallinity on the polymerization kinetics.

Smectic order and backbone anisotropy of a side-chain liquid crystalline polymer by Small-Angle Neutron Scattering

Science.gov (United States)

Noirez, L.; Pépy, G.; Keller, P.; Benguigui, L.

1991-07-01

We have simultaneously measured, for the first time, the extension of the polymer backbone of a side-chain liquid crystalline polymer and the intensity of the 001 Bragg reflection, which gives the smectic order parameter Psi as a function of temperature in the smectic phase. We have qualitatively demonstrated that the more the smectic phase is ordered, the more the polymer backbone is localized between the mesogenic layers. It is shown that the Landau theory allows us to relate the radius of gyration parallel to the magnetic field of the polymer backbone to the smectic order parameter. We also show that the Renz-Warner theory is suitable at low temperatures.

THERMAL DEGRADATION OF THERMOTROPIC LIQUID CRYSTALLINE TERPOLYESTERS BASED ON VANILLIC ACID, p-HYDROXYBENZOIC ACID AND POLY(ETHYLENE TEREPHTHALATE)

Institute of Scientific and Technical Information of China (English)

LI Xingui; HUANG Meirong; GUAN Guihe; SUN Tong

1993-01-01

Nine thermotropic liquid crystalline terpolyesters based on vanillic acid(V), p-hydroxybenzoic acid(H) and poly(ethylene terephthalate)(E) were investigated by thermogravimetry to ascertain their thermostability and the kinetic parameters for thermal degradation. Overall activation energy data of the degradation had been calculated over the range 5～70% weight loss. The temperatures and the activation energy of the degradation lie in the ranges of 384～394 ℃ at a heating rate of 1 ℃/min and 176～205 KJ/mol at the weight loss of 5%, respectively, which suggests that the terpolyesters have good thermostability.

High Magnetic Shear Gain in a Liquid Sodium Stable Couette Flow Experiment: A Prelude to an α-Ω Dynamo

International Nuclear Information System (INIS)

Colgate, Stirling A.; Beckley, Howard; Si, Jiahe; Martinic, Joe; Westpfahl, David; Slutz, James; Westrom, Cebastian; Klein, Brianna; Schendel, Paul; Scharle, Cletus; McKinney, Travis; Ginanni, Rocky; Bentley, Ian; Mickey, Timothy; Ferrel, Regnar; Li, Hui; Pariev, Vladimir; Finn, John

2011-01-01

The Ω phase of the liquid sodium α-Ω dynamo experiment at New Mexico Institute of Mining and Technology in cooperation with Los Alamos National Laboratory has demonstrated a high toroidal field B φ that is ≅8xB r , where B r is the radial component of an applied poloidal magnetic field. This enhanced toroidal field is produced by the rotational shear in stable Couette flow within liquid sodium at a magnetic Reynolds number Rm≅120. Small turbulence in stable Taylor-Couette flow is caused by Ekman flow at the end walls, which causes an estimated turbulence energy fraction of (δv/v) 2 ∼10 -3 .

Eutectic Gallium-Indium (EGaIn) : A Liquid Metal Alloy for the Formation of Stable Structures in Microchannels at Room Temperature

NARCIS (Netherlands)

Dickey, Michael D.; Chiechi, Ryan C.; Larsen, Ryan J.; Weiss, Emily A.; Weitz, David A.; Whitesides, George M.

2008-01-01

This paper describes the rheological behavior of the liquid metal eutectic gallium-indium (EGaIn) as it is injected into microfluidic channels to form stable microstructures of liquid metal. EGaIn is well-suited for this application because of its rheological properties at room temperature: it

Bicontinuous liquid crystals

CERN Document Server

Lynch, Mathew L

2005-01-01

PrefaceIntroduction AcknowledgmentsBicontinuous Cubic Liquid Crystalline Materials: A Historical Perspective and Modern Assessment; Kr̄e LarssonIntermediate Phases; Michael C. Holmes and Marc S. LeaverCubic Phases and Human Skin: Theory and Practice; Steven Hoath and Lars NorlňThe Relationship between Bicontinuous Inverted Cubic Phases and Membrane Fusion; D.P. SiegelAspects of the Differential Geometry and Topology of Bicontinuous Liquid-Crystalline Phases; Robert W. CorkeryNovel L3 Phases and Their Macroscopic Properties; R. Beck and H. HoffmannBicontinuous Cubic Phases of Lipids with Entra

A study of a stable Al-Cu-Fe quasicrystal in solid and liquid state

International Nuclear Information System (INIS)

Chen Lifan; Chen Xishen

1992-01-01

A stable Al 65 Cu 20 Fe 15 quasicrystal with an icosahedral structure is studied in solid and liquid state. It is found that the icosahedral phase in Al 65 Cu 20 Fe 15 alloy does not grow directly from the pure liquid state, but rather forms between monoclinic Al 13 Fe 4 and residual liquid state at 865degC. The melting point of the Al 65 Cu 20 Fe 15 icosahedral quasicrystal occurs at 865degC and that of the Al 65 Cu 20 Fe 15 alloy occurs at 1008degC. Moreover, the monoclinic Al 13 Fe 4 is transformed into the icosahedral phase easily at the temperature of 845degC. The icosahedral quasicrystal in Al 65 Cu 20 Fe 15 alloy has a high thermal stability even at 950degC. Above 950degC, the icosahedral structure tends to an amorphous structure. (orig.)

Soliton structure in crystalline acetanilide

International Nuclear Information System (INIS)

Eilbeck, J.C.; Lomdahl, P.S.; Scott, A.C.

1984-01-01

The theory of self-trapping of amide I vibrational energy in crystalline acetanilide is studied in detail. A spectrum of stationary, self-trapped (soliton) solutions is determined and tested for dynamic stability. Only those solutions for which the amide I energy is concentrated near a single molecule were found to be stable. Exciton modes were found to be unstable to decay into solitons

Stable Isotope Quantitative N-Glycan Analysis by Liquid Separation Techniques and Mass Spectrometry.

Science.gov (United States)

Mittermayr, Stefan; Albrecht, Simone; Váradi, Csaba; Millán-Martín, Silvia; Bones, Jonathan

2017-01-01

Liquid phase separation analysis and subsequent quantitation remains a challenging task for protein-derived oligosaccharides due to their inherent structural complexity and diversity. Incomplete resolution or co-detection of multiple glycan species complicates peak area-based quantitation and associated statistical analysis when optical detection methods are used. The approach outlined herein describes the utilization of stable isotope variants of commonly used fluorescent tags that allow for mass-based glycan identification and relative quantitation following separation by liquid chromatography (LC) or capillary electrophoresis (CE). Comparability assessment of glycoprotein-derived oligosaccharides is performed by derivatization with commercially available isotope variants of 2-aminobenzoic acid or aniline and analysis by LC- and CE-mass spectrometry. Quantitative information is attained from the extracted ion chromatogram/electropherogram ratios generated from the light and heavy isotope clusters.

Nanoscience with liquid crystals from self-organized nanostructures to applications

CERN Document Server

Li, Quan

2014-01-01

This book focuses on the exciting topic of nanoscience with liquid crystals: from self-organized nanostructures to applications. The elegant self-organized liquid crystalline nanostructures, the synergetic characteristics of liquid crystals and nanoparticles, liquid crystalline nanomaterials, synthesis of nanomaterials using liquid crystals as templates, nanoconfinement and nanoparticles of liquid crystals are covered and discussed, and the prospect of fabricating functional materials is highlighted. Contributions, collecting the scattered literature of the field from leading and active player

Solvothermal synthesis of stable nanoporous polymeric bases-crystalline TiO2 nanocomposites: visible light active and efficient photocatalysts for water treatment.

Science.gov (United States)

Liu, Fujian; Kong, Weiping; Wang, Liang; Noshadi, Iman; Zhang, Zhonghua; Qi, Chenze

2015-02-27

Visible light active and stable nanoporous polymeric base-crystalline TiO2 nanocomposites were solvothermally synthesized from in situ copolymerization of divinylbenzene (DVB) with 1-vinylimidazolate (VI) or 4-vinylpyridine (Py) in the presence of tetrabutyl titanate without the use of any other additives (PDVB-VI-TiO2-x, PDVB-Py-TiO2-x, where x stands for the molar ratio of TiO2 to VI or Py), which showed excellent activity with respect to catalyzing the degradation of organic pollutants of p-nitrophenol (PNP) and rhodamine-B (RhB). TEM and SEM images show that PDVB-VI-TiO2-x and PDVB-Py-TiO2-x have abundant nanopores, and TiO2 nanocrystals with a high degree of crystallinity were homogeneously embedded in the PDVB-VI-TiO2-x and PDVB-Py-TiO2-x, forming a stable 'brick-and-mortar' nanostructure. PDVB-VI and PDVB-Py supports act as the glue linking TiO2 nanocrystals to form nanopores and constraining the agglomeration of TiO2 nanocrystals. XPS spectra show evidence of unique interactions between TiO2 and basic sites in these samples. UV diffuse reflectance shows that PDVB-VI-TiO2-x and PDVB-Py-TiO2-x exhibit a unique response to visible light. Catalytic tests show that the PDVB-VI-TiO2-x and PDVB-Py-TiO2-x were active in catalyzing the degradation of PNP and RhB organic pollutants under visible light irradiation. The enhanced activities of the PDVB-VI-TiO2-x and PDVB-Py-TiO2-x were ascribed to synergistic effects between abundant nanopores and the unique optical adsorption of visible light in the samples.

Solvothermal synthesis of stable nanoporous polymeric bases-crystalline TiO2 nanocomposites: visible light active and efficient photocatalysts for water treatment

Science.gov (United States)

Liu, Fujian; Kong, Weiping; Wang, Liang; Noshadi, Iman; Zhang, Zhonghua; Qi, Chenze

2015-02-01

Visible light active and stable nanoporous polymeric base-crystalline TiO2 nanocomposites were solvothermally synthesized from in situ copolymerization of divinylbenzene (DVB) with 1-vinylimidazolate (VI) or 4-vinylpyridine (Py) in the presence of tetrabutyl titanate without the use of any other additives (PDVB-VI-TiO2-x, PDVB-Py-TiO2-x, where x stands for the molar ratio of TiO2 to VI or Py), which showed excellent activity with respect to catalyzing the degradation of organic pollutants of p-nitrophenol (PNP) and rhodamine-B (RhB). TEM and SEM images show that PDVB-VI-TiO2-x and PDVB-Py-TiO2-x have abundant nanopores, and TiO2 nanocrystals with a high degree of crystallinity were homogeneously embedded in the PDVB-VI-TiO2-x and PDVB-Py-TiO2-x, forming a stable ‘brick-and-mortar’ nanostructure. PDVB-VI and PDVB-Py supports act as the glue linking TiO2 nanocrystals to form nanopores and constraining the agglomeration of TiO2 nanocrystals. XPS spectra show evidence of unique interactions between TiO2 and basic sites in these samples. UV diffuse reflectance shows that PDVB-VI-TiO2-x and PDVB-Py-TiO2-x exhibit a unique response to visible light. Catalytic tests show that the PDVB-VI-TiO2-x and PDVB-Py-TiO2-x were active in catalyzing the degradation of PNP and RhB organic pollutants under visible light irradiation. The enhanced activities of the PDVB-VI-TiO2-x and PDVB-Py-TiO2-x were ascribed to synergistic effects between abundant nanopores and the unique optical adsorption of visible light in the samples.

Distance-dependent metal enhanced fluorescence by flowerlike silver nanostructures fabricated in liquid crystalline phase

Science.gov (United States)

Zhang, Ying; Yang, Chengliang; Zhang, Guiyang; Peng, Zenghui; Yao, Lishuang; Wang, Qidong; Cao, Zhaoliang; Mu, Quanquan; Xuan, Li

2017-10-01

Flowerlike silver nanostructure substrates were fabricated in liquid crystalline phase and the distance dependent property of metal enhanced fluorescence for such substrate was studied for the first time. The distance between silver nanostructures and fluorophore was controlled by the well-established layer-by-layer (LbL) technique constructing alternate layers of poly (allylamine hydrochloride) (PAH) and poly (sodium 4-styrenesulfonate) (PSS). The Rhodamine 6G (R6G) molecules were electrostatically attached to the outmost negative charged PSS layer. The fluorescence enhancement factor of flowerlike nanostructure substrate increased firstly and then decreased with the distance increasing. The best enhanced fluorescence intensity of 71 fold was obtained at a distance of 5.2 nm from the surface of flowerlike silver nanostructure. The distance for best enhancement effect is an instructive parameter for the applications of such substrates and could be used in the practical MEF applications with the flowerlike nanostructure substrates fabricated in such way which is simple, controllable and cost-effective.

Designing solution-processable air-stable liquid crystalline crosslinkable semiconductors

DEFF Research Database (Denmark)

McCulloch, I.; Bailey, C.; Genevicius, K.

2006-01-01

organic light emitting diode displays, low frequency radio frequency identification tag and other low performance electronics. Organic semiconductors that offer both electrical performance and stability with respect to storage and operation under ambient conditions are required. This work describes...... the development of reactive mesogen semiconductors, which form large crosslinked LC domains on polymerization within mesophases. These crosslinked domains offer mechanical stability and are inert to solvent exposure in further processing steps. Reactive mesogens containing conjugated aromatic cores, designed...

Thermodynamics of Crystalline States

CERN Document Server

Fujimoto, Minoru

2013-01-01

Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

Glycation precedes lens crystallin aggregation

International Nuclear Information System (INIS)

Swamy, M.S.; Perry, R.E.; Abraham, E.C.

1987-01-01

Non-enzymatic glycosylation (glycation) seems to have the potential to alter the structure of crystallins and make them susceptible to thiol oxidation leading to disulfide-linked high molecular weight (HMW) aggregate formation. They used streptozotocin diabetic rats during precataract and cataract stages and long-term cell-free glycation of bovine lens crystallins to study the relationship between glycation and lens crystallin aggregation. HMW aggregates and other protein components of the water-soluble (WS) and urea-soluble (US) fractions were separated by molecular sieve high performance liquid chromatography. Glycation was estimated by both [ 3 H]NaBH 4 reduction and phenylboronate agarose affinity chromatography. Levels of total glycated protein (GP) in the US fractions were about 2-fold higher than in the WS fractions and there was a linear increase in GP in both WS and US fractions. This increase was parallelled by a corresponding increase in HMW aggregates. Total GP extracted by the affinity method from the US fraction showed a predominance of HMW aggregates and vice versa. Cell-free glycation studies with bovine crystallins confirmed the results of the animals studies. Increasing glycation caused a corresponding increase in protein insolubilization and the insoluble fraction thus formed also contained more glycated protein. It appears that lens protein glycation, HMW aggregate formation, and protein insolubilization are interrelated

In-liquid Plasma. A stable light source for advanced oxidation processes in environmental remediation

Science.gov (United States)

Tsuchida, Akihiro; Shimamura, Takeshi; Sawada, Seiya; Sato, Susumu; Serpone, Nick; Horikoshi, Satoshi

2018-06-01

A microwave-inspired device that generates stable in-liquid plasma (LP) in aqueous media and emits narrow light emission lines at 280-320 nm, 660 nm and 780 nm is examined as a light source capable of driving photochemical reactions and advanced oxidation processes in wastewater treatments. The microwave-driven lighting efficiency was improved by decompressing the inside of the reaction vessel, which resulted in lowering the incident power of the microwaves and suppressed the deterioration of the microwave irradiation antenna. This protocol made it possible to generate continuous stable plasma in water. Evaluation of the LP device was carried out by revisiting the decomposition of 1,4-dioxane in aqueous media against the use of such other conventional water treatment processes as (i) UV irradiation alone, (ii) TiO2-assisted photocatalysis with UV irradiation (UV/TiO2), (iii) oxidation with sodium hypochlorite (NaClO), and (iv) UV-assisted decomposition in the presence of NaClO (UV/NaClO). The in-liquid plasma technique proved superior to these four other methods. The influence of pH on the LP protocol was ascertained through experiments in acidified (HCl and H2SO4) and alkaline (NaOH and KOH) aqueous media. Except for H2SO4, decomposition of 1,4-dioxane was enhanced in both acidic and alkaline media.

Entrapment of curcumin into monoolein-based liquid crystalline nanoparticle dispersion for enhancement of stability and anticancer activity

Directory of Open Access Journals (Sweden)

Baskaran R

2014-06-01

Full Text Available Rengarajan Baskaran,1 Thiagarajan Madheswaran,2 Pasupathi Sundaramoorthy,1 Hwan Mook Kim,1 Bong Kyu Yoo1 1College of Pharmacy, Gachon University, Incheon, South Korea; 2College of Pharmacy Yeungnam University, Gyeongsan, South Korea Abstract: Despite the promising anticancer potential of curcumin, its therapeutic application has been limited, owing to its poor solubility, bioavailability, and chemical fragility. Therefore, various formulation approaches have been attempted to address these problems. In this study, we entrapped curcumin into monoolein (MO-based liquid crystalline nanoparticles (LCNs and evaluated the physicochemical properties and anticancer activity of the LCN dispersion. The results revealed that particles in the curcumin-loaded LCN dispersion were discrete and monodispersed, and that the entrapment efficiency was almost 100%. The stability of curcumin in the dispersion was surprisingly enhanced (about 75% of the curcumin survived after 45 days of storage at 40°C, and the in vitro release of curcumin was sustained (10% or less over 15 days. Fluorescence-activated cell sorting (FACS analysis using a human colon cancer cell line (HCT116 exhibited 99.1% fluorescence gating for 5 µM curcumin-loaded LCN dispersion compared to 1.36% for the same concentration of the drug in dimethyl sulfoxide (DMSO, indicating markedly enhanced cellular uptake. Consistent with the enhanced cellular uptake of curcumin-loaded LCNs, anticancer activity and cell cycle studies demonstrated apoptosis induction when the cells were treated with the LCN dispersion; however, there was neither noticeable cell death nor significant changes in the cell cycle for the same concentration of the drug in DMSO. In conclusion, entrapping curcumin into MO-based LCNs may provide, in the future, a strategy for overcoming the hurdles associated with both the stability and cellular uptake issues of the drug in the treatment of various cancers. Keywords: liquid

Lanthanide Phytanates: Liquid-Crystalline Phase Behavior, Colloidal Particle Dispersions, and Potential as Medical Imaging Agents

Energy Technology Data Exchange (ETDEWEB)

Conn, Charlotte E.; Panchagnula, Venkateswarlu; Weerawardena, Asoka; Waddington, Lynne J.; Kennedy, Danielle F.; Drummond, Calum J. (CSIRO/MHT); (CSIRO/MSE)

2010-08-23

Lanthanide salts of phytanic acid, an isoprenoid-type amphiphile, have been synthesized and characterized. Elemental analysis and FTIR spectroscopy were used to confirm the formed product and showed that three phytanate anions are complexed with one lanthanide cation. The physicochemical properties of the lanthanide phytanates were investigated using DSC, XRD, SAXS, and cross-polarized optical microscopy. Several of the hydrated salts form a liquid-crystalline hexagonal columnar mesophase at room temperature, and samarium(III) phytanate forms this phase even in the absence of water. Select lanthanide phytanates were dispersed in water, and cryo-TEM images indicate that some structure has been retained in the dispersed phase. NMR relaxivity measurements were conducted on these systems. It has been shown that a particulate dispersion of gadolinium(III) phytanate displays proton relaxivity values comparable to those of a commercial contrast agent for magnetic resonance imaging and a colloidal dispersion of europium(III) phytanate exhibits the characteristics of a fluorescence imaging agent.

Lanthanide Phytanates: Liquid-Crystalline Phase Behavior, Colloidal Particle Dispersions, and Potential as Medical Imaging Agents

International Nuclear Information System (INIS)

Conn, Charlotte E.; Panchagnula, Venkateswarlu; Weerawardena, Asoka; Waddington, Lynne J.; Kennedy, Danielle F.; Drummond, Calum J.

2010-01-01

Lanthanide salts of phytanic acid, an isoprenoid-type amphiphile, have been synthesized and characterized. Elemental analysis and FTIR spectroscopy were used to confirm the formed product and showed that three phytanate anions are complexed with one lanthanide cation. The physicochemical properties of the lanthanide phytanates were investigated using DSC, XRD, SAXS, and cross-polarized optical microscopy. Several of the hydrated salts form a liquid-crystalline hexagonal columnar mesophase at room temperature, and samarium(III) phytanate forms this phase even in the absence of water. Select lanthanide phytanates were dispersed in water, and cryo-TEM images indicate that some structure has been retained in the dispersed phase. NMR relaxivity measurements were conducted on these systems. It has been shown that a particulate dispersion of gadolinium(III) phytanate displays proton relaxivity values comparable to those of a commercial contrast agent for magnetic resonance imaging and a colloidal dispersion of europium(III) phytanate exhibits the characteristics of a fluorescence imaging agent.

Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

Science.gov (United States)

Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

2015-06-01

Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

Minimalistic Liquid-Assisted Route to Highly Crystalline α-Zirconium Phosphate.

Science.gov (United States)

Cheng, Yu; Wang, Xiaodong Tony; Jaenicke, Stephan; Chuah, Gaik-Khuan

2017-08-24

Zirconium phosphates have potential applications in areas of ion exchange, catalysis, photochemistry, and biotechnology. However, synthesis methodologies to form crystalline α-zirconium phosphate (Zr(HPO 4 ) 2 ⋅H 2 O) typically involve the use of excess phosphoric acid, addition of HF or oxalic acid and long reflux times or hydrothermal conditions. A minimalistic sustainable route to its synthesis has been developed by using only zirconium oxychloride and concentrated phosphoric acid to form highly crystalline α-zirconium phosphate within hours. The morphology can be changed from platelets to rod-shaped particles by fluoride addition. By varying the temperature and time, α-zirconium phosphate with particle sizes from nanometers to microns can be obtained. Key features of this minimal solvent synthesis are the excellent yields obtained with high atom economy under mild conditions and ease of scalability. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

PH-Induced Nanosegregation of Ritonavir to Lyotropic Liquid Crystal of Higher Solubility Than Crystalline Polymorphs

International Nuclear Information System (INIS)

Rodriguez-Spong, B.; Acciacca, A.; Fleisher, D.; Rodriguez-Hornedo, N.

2009-01-01

Birefringent spherical vesicles of ritonavir (RTV) are formed by increasing the pH of aqueous solutions from 1 to 3 or to 7 and by addition of water to ethanol solutions at room temperature. Increasing the pH creates supersaturation levels of 30--400. Upon this change in pH, the solutions become translucent, implying that some kind of RTV assembly was formed. Small spherical vesicles of narrow size distribution are detectable only after a few hours by optical microscopy. The vesicles show similar X-ray diffraction patterns and differential scanning calorimetry (DSC) behavior to amorphous RTV prepared by melt-quenching crystalline RTV. Examination by polarized optical microscopy suggests that these are lyotropic liquid crystalline (LLC) assemblies. Small-angle X-ray scattering and synchrotron X-ray diffraction further support the presence of orientational order that is associated with a nematic structure. RTV self-organizes into various phases as a result of the supersaturation created in aqueous solutions. The LLC vesicles do not fuse but slowly transform to the polymorphs of RTV (in days), Form I and finally Form II. Amorphous RTV in aqueous suspension also undergoes a transformation to a mesophase of similar morphology. Transformation pathways are consistent with measured dissolution rates and solubilities: amorphous > LLC >> Form I > Form II. The dissolution and solubility of LLC is slightly lower than that of the amorphous phase and about 20 times higher than that of Form II. RTV also self-assembles at the air/water interface as indicated by the decrease in surface tension of aqueous solutions. This behavior is similar to that of amphiphilic molecules that induce LLC formation.

Attenuation of Thermal Neutrons by Crystalline Silicon

International Nuclear Information System (INIS)

Adib, M.; Habib, N.; Ashry, A.; Fathalla, M.

2002-01-01

A simple formula is given which allows to calculate the contribution of the total neutron cross - section including the Bragg scattering from different (hkt) planes to the neutron * transmission through a solid crystalline silicon. The formula takes into account the silicon form of poly or mono crystals and its parameters. A computer program DSIC was developed to provide the required calculations. The calculated values of the total neutron cross-section of perfect silicon crystal at room and liquid nitrogen temperatures were compared with the experimental ones. The obtained agreement shows that the simple formula fits the experimental data with sufficient accuracy .A good agreement was also obtained between the calculated and measured values of polycrystalline silicon in the energy range from 5 eV to 500μ eV. The feasibility study on using a poly-crystalline silicon as a cold neutron filter and mono-crystalline as a thermal neutron one is given. The optimum crystal thickness, mosaic spread, temperature and cutting plane for efficiently transmitting the thermal reactor neutrons, while rejecting both fast neutrons and gamma rays accompanying the thermal ones for the mono crystalline silicon are also given

From Coordination Cages to a Stable Crystalline Porous Hydrogen-Bonded Framework

Energy Technology Data Exchange (ETDEWEB)

Ju, Zhanfeng [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Liu, Guoliang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Yu-Sheng [ChemMatCARS, Center for Advanced Radiation Sources, The University of Chicago, Argonne Illinois 60439 USA; Yuan, Daqiang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Banglin [Department of Chemistry, University of Texas at San Antonio, San Antonio Texas 78249-0698 USA

2017-03-20

A stable framework has been constructed through multiple charge-assisted H-bonds between cationic coordination cages and chloride ions. The framework maintained its original structure upon desolvation, which has been established by single-crystal structure analysis. This is the first fully characterized stable porous framework based on coordination cages after desolvation, with a moderately high Brunauer–Emmett–Teller (BET) surface area of 1201 m2 g-1. This work will not only give a light to construct stable porous frameworks based on coordination cages and thus broaden their applications, but will also provide a new avenue to the assembly of other porous materials such as porous organic cages and hydrogen-bonded organic frameworks (HOFs) through non covalent bonds.

Electrically Reconfigurable Liquid Crystalline Mirrors (Postprint)

Science.gov (United States)

2018-04-24

focus on dynamic reconfiguration of the reflection band gap of polymer-stabilized cholesteric liquid crystals (PSCLCs). Recent research has reported the...public release: distribution unlimited. © 2018 AMERICAN CHEMICAL SOCIETY (STINFO COPY) AIR FORCE RESEARCH LABORATORY MATERIALS AND MANUFACTURING...MONITORING AGENCY ACRONYM(S) Air Force Research Laboratory Materials and Manufacturing Directorate Wright-Patterson Air Force Base, OH

Liquid phase mass production of air-stable black phosphorus/phospholipids nanocomposite with ultralow tunneling barrier

Science.gov (United States)

Zhang, Qiankun; Liu, Yinan; Lai, Jiawei; Qi, Shaomian; An, Chunhua; Lu, Yao; Duan, Xuexin; Pang, Wei; Zhang, Daihua; Sun, Dong; Chen, Jian-Hao; Liu, Jing

2018-04-01

Few-layer black phosphorus (FLBP), a recently discovered two-dimensional semiconductor, has attracted substantial attention in the scientific and technical communities due to its great potential in electronic and optoelectronic applications. However, reactivity of FLBP flakes with ambient species limits its direct applications. Among various methods to passivate FLBP in ambient environment, nanocomposites mixing FLBP flakes with stable matrix may be one of the most promising approaches for industry applications. Here, we report a simple one-step procedure to mass produce air-stable FLBP/phospholipids nanocomposite in liquid phase. The resultant nanocomposite is found to have ultralow tunneling barrier for charge carriers which can be described by an Efros-Shklovskii variable range hopping mechanism. Devices made from such mass-produced FLBP/phospholipids nanocomposite show highly stable electrical conductivity and opto-electrical response in ambient conditions, indicating its promising applications in both electronic and optoelectronic applications. This method could also be generalized to the mass production of nanocomposites consisting of other air-sensitive 2D materials, such as FeSe, NbSe2, WTe2, etc.

Liquid alloys: New perspectives and challenges

International Nuclear Information System (INIS)

Saboungi, M.L.; Leonard, S.R.; Johnson, G.K.; Price, D.L.

1987-12-01

In this paper, we will focus on one of many unusual liquid semiconducting alloys, K-Pb. The thermodynamic and electrical properties will be discussed and analyzed in terms of a disorder model introduced first by Wagner for crystalline semiconductors. The structure of the equiatomic alloy will be presented; interpretation of the first sharp diffraction peak in the total structure factor is based on the local structures in the crystalline phase and should be viewed as an example of the interrelation between the solid and liquid properties

Liquid crystals for organic thin-film transistors

Science.gov (United States)

Iino, Hiroaki; Usui, Takayuki; Hanna, Jun-Ichi

2015-04-01

Crystalline thin films of organic semiconductors are a good candidate for field effect transistor (FET) materials in printed electronics. However, there are currently two main problems, which are associated with inhomogeneity and poor thermal durability of these films. Here we report that liquid crystalline materials exhibiting a highly ordered liquid crystal phase of smectic E (SmE) can solve both these problems. We design a SmE liquid crystalline material, 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-10), for FETs and synthesize it. This material provides uniform and molecularly flat polycrystalline thin films reproducibly when SmE precursor thin films are crystallized, and also exhibits high durability of films up to 200 °C. In addition, the mobility of FETs is dramatically enhanced by about one order of magnitude (over 10 cm2 V-1 s-1) after thermal annealing at 120 °C in bottom-gate-bottom-contact FETs. We anticipate the use of SmE liquid crystals in solution-processed FETs may help overcome upcoming difficulties with novel technologies for printed electronics.

Liquid metal–organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Gaillac, Romain; Pullumbi, Pluton; Beyer, Kevin A.; Chapman, Karena W.; Keen, David A.; Bennett, Thomas D.; Coudert, François-Xavier

2017-10-09

Metal–organic frameworks (MOFs) are a family of chemically diverse materials, with applications in a wide range of fields, covering engineering, physics, chemistry, biology and medicine. Until recently, research has focused almost entirely on crystalline structures, yet now a clear trend is emerging, shifting the emphasis onto disordered states, including ‘defective by design’ crystals, as well as amorphous phases such as glasses and gels. Here we introduce a strongly associated MOF liquid, obtained by melting a zeolitic imidazolate framework. We combine in situ variable temperature X-ray, ex situ neutron pair distribution function experiments, and first-principles molecular dynamics simulations to study the melting phenomenon and the nature of the liquid obtained. We demonstrate from structural, dynamical, and thermodynamical information that the chemical configuration, coordinative bonding, and porosity of the parent crystalline framework survive upon formation of the MOF liquid.

Liquid metal-organic frameworks

Science.gov (United States)

Gaillac, Romain; Pullumbi, Pluton; Beyer, Kevin A.; Chapman, Karena W.; Keen, David A.; Bennett, Thomas D.; Coudert, François-Xavier

2017-11-01

Metal-organic frameworks (MOFs) are a family of chemically diverse materials, with applications in a wide range of fields, covering engineering, physics, chemistry, biology and medicine. Until recently, research has focused almost entirely on crystalline structures, yet now a clear trend is emerging, shifting the emphasis onto disordered states, including `defective by design’ crystals, as well as amorphous phases such as glasses and gels. Here we introduce a strongly associated MOF liquid, obtained by melting a zeolitic imidazolate framework. We combine in situ variable temperature X-ray, ex situ neutron pair distribution function experiments, and first-principles molecular dynamics simulations to study the melting phenomenon and the nature of the liquid obtained. We demonstrate from structural, dynamical, and thermodynamical information that the chemical configuration, coordinative bonding, and porosity of the parent crystalline framework survive upon formation of the MOF liquid.

Development of Multifunctional Ultra-Nonlinear Liquids and Liquid Crystals for Sensor Protection Applications

National Research Council Canada - National Science Library

Khoo, I. C

2008-01-01

.... Significant breakthroughs have been achieved in developing supra-nonlinear liquid crystalline films that possess extraordinarily large photorefractive responses, low switching thresholds and useful...

Liquid crystals for organic transistors (Conference Presentation)

Science.gov (United States)

Hanna, Jun-ichi; Iino, Hiroaki

2016-09-01

Liquid crystals are a new type of organic semiconductors exhibiting molecular orientation in self-organizing manner, and have high potential for device applications. In fact, various device applications have been proposed so far, including photosensors, solar cells, light emitting diodes, field effect transistors, and so on.. However, device performance in those fabricated with liquid crystals is less than those of devices fabricated with conventional materials in spite of unique features of liquid crystals. Here we discuss how we can utilize the liquid crystallinity in organic transistors and how we can overcome conventional non-liquid crystalline organic transistor materials. Then, we demonstrate high performance organic transistors fabricated with a smectic E liquid crystal of Ph-BTBT-10, which show high mobility of over 10cm2/Vs and high thermal durability of over 200oC in OFETs fabricated with its spin-coated polycrystalline thin films.

Prediction and design of first super-strong liquid-crystalline polymers

International Nuclear Information System (INIS)

Dowell, F.

1989-01-01

This paper presents the details of the theoretical prediction and design (atom by atom, bond by bond) of the molecule chemical structures of the first candidate super-strong liquid-crystalline polymers (SS LCPs). These LCPs are the first LCPs designed to have good compressive strengths, as well as to have tensile strengths and tensile moduli significantly larger than those of existing strong LCPs (such as Kevlar). The key feature of this new class of LCPs is that the exceptional strength is three dimensional on a microscopic, molecular level (thus, on a macroscopic level), in contrast to present LCPs (such as Kevlar) with their one-dimensional exceptional strength. These SS LCPs also have some solubility and processing advantages over existing strong LCPs. These SS LCPs are specially-designed combined LCPs such that the side chains of a molecule interdigitate with the side chains of other molecules. This paper also presents other essential general and specific features required for SS LCPs. Considerations in the design of SS LCPs include the spacing distance between side chains along the backbone, the need for rigid sections in the backbone and side chains, the degree of polymerization, the length of the side chains, the regularity of spacing of the side chains along the backbone, the interdigitation of side chains in submolecular strips, the packing of the side chains on one or two sides of the backbone, the symmetry of the side chains, the points of attachment of the side chains to the backbone, the flexibility and size of the chemical group connecting each side chain to the backbone, the effect of semiflexible sections in the backbone and side chains, and the choice of types of dipolar and/or hydrogen bonding forces in the backbones and side chains for easy alignment

Discrete time-crystalline order in black diamond

Science.gov (United States)

Zhou, Hengyun; Choi, Soonwon; Choi, Joonhee; Landig, Renate; Kucsko, Georg; Isoya, Junichi; Jelezko, Fedor; Onoda, Shinobu; Sumiya, Hitoshi; Khemani, Vedika; von Keyserlingk, Curt; Yao, Norman; Demler, Eugene; Lukin, Mikhail D.

2017-04-01

The interplay of periodic driving, disorder, and strong interactions has recently been predicted to result in exotic ``time-crystalline'' phases, which spontaneously break the discrete time-translation symmetry of the underlying drive. Here, we report the experimental observation of such discrete time-crystalline order in a driven, disordered ensemble of 106 dipolar spin impurities in diamond at room-temperature. We observe long-lived temporal correlations at integer multiples of the fundamental driving period, experimentally identify the phase boundary and find that the temporal order is protected by strong interactions; this order is remarkably stable against perturbations, even in the presence of slow thermalization. Our work opens the door to exploring dynamical phases of matter and controlling interacting, disordered many-body systems.

Thermal Analysis, Mechanical and Rheological Behaviour of Melt Manufactured Polyethylene/Liquid Crystal Polymer Blends

Directory of Open Access Journals (Sweden)

Ilze ELKSNITE

2011-07-01

Full Text Available Modification of properties of conventional thermoplastics with thermotropic liquid crystal polymers, from one hand, allows decrease their viscosities, substantially facilitating processing conditions, and, from another hand, allows increase their exploitation properties. Orientation of the labile structure of liquid crystal polymer in extrusion or injection moulding causes specific reinforcement (so-called self-reinforcement to occur in the blends containing liquid crystal polymer. Up to now the effect of self-reinforcement is mostly investigated in the blends, containing considerable amount of liquid crystal polymer. In this research the effect of minor amounts of liquid crystalline co-polyester modifier on the properties of polyethylene is investigated. Various compositions of laboratory synthesized hydroxybenzoic acid /polyethylene terephtalate copolymer containing polyethylene composites have been manufactured by thermoplastic blending. It has been observed that 1 modulus of elasticity, yield strength and ultimate strength increase with raising the content of liquid crystalline modifier; 2 void content in the investigated polyethylene/liquid crystal copolymer composites is not greater that 1 %; 3 addition of liquid crystalline co-polyester modifier improves arrangement of PE crystalline phase.http://dx.doi.org/10.5755/j01.ms.17.2.483

Lipid-Based Liquid Crystalline Nanoparticles Facilitate Cytosolic Delivery of siRNA via Structural Transformation.

Science.gov (United States)

He, Shufang; Fan, Weiwei; Wu, Na; Zhu, Jingjing; Miao, Yunqiu; Miao, Xiaran; Li, Feifei; Zhang, Xinxin; Gan, Yong

2018-04-11

RNA interference (RNAi) technology has shown great promise for the treatment of cancer and other genetic disorders. Despite the efforts to increase the target tissue distribution, the safe and effective delivery of siRNA to the diseased cells with sufficient cytosolic transport is another critical factor for successful RNAi clinical application. Here, the constructed lipid-based liquid crystalline nanoparticles, called nano-Transformers, can transform thestructure in the intracellular acidic environment and perform high-efficient siRNA delivery for cancer treatment. The developed nano-Transformers have satisfactory siRNA loading efficiency and low cytotoxicity. Different from the traditional cationic nanocarriers, the endosomal membrane fusion induced by the conformational transition of lipids contributes to the easy dissociation of siRNA from nanocarriers and direct release of free siRNA into cytoplasm. We show that transfection with cyclin-dependent kinase 1 (CDK1)-siRNA-loaded nano-Transformers causes up to 95% reduction of relevant mRNA in vitro and greatly inhibits the tumor growth without causing any immunogenic response in vivo. This work highlights that the lipid-based nano-Transformers may become the next generation of siRNA delivery system with higher efficacy and improved safety profiles.

Lyotropic liquid crystal preconcentrates for the treatment of periodontal disease.

Science.gov (United States)

Fehér, A; Urbán, E; Eros, I; Szabó-Révész, P; Csányi, E

2008-06-24

The aim of our study was to develop water-free lyotropic liquid crystalline preconcentrates, which consist of oils and surfactants with good physiological tolerance and spontaneously form lyotropic liquid crystalline phase in aqueous environment. In this way these preconcentrates having low viscosity can be injected into the periodontal pocket, where they are transformed into highly viscous liquid crystalline phase, so that the preparation is prevented from flowing out of the pocket due to its great viscosity, while drug release is controlled by the liquid crystalline texture. In order to follow the structure alteration upon water absorption polarization microscopical and rheological examinations were performed. The water absorption mechanism of the samples was examined by the Enslin-method. Metronidazole-benzoate was used as active agent the release of which was characterized via in vitro investigations performed by means of modified Kirby-Bauer disk diffusion method. On the grounds of the results it can be stated that the 4:1 mixture of the investigated surfactants (Cremophor EL, Cremophor RH40) and oil (Miglyol 810) formed lyotopic liquid crystalline phases upon water addition. Polarization microscopic examinations showed that samples with 10-40% water content possessed anisotropic properties. On the basis of water absorption, rheological and drug release studies it can be concluded that the amount of absorbed water and stiffness of lyotropic structure influenced by the chemical entity of the surfactant exerted major effect on the drug release.

Perspective: Highly stable vapor-deposited glasses

Science.gov (United States)

Ediger, M. D.

2017-12-01

This article describes recent progress in understanding highly stable glasses prepared by physical vapor deposition and provides perspective on further research directions for the field. For a given molecule, vapor-deposited glasses can have higher density and lower enthalpy than any glass that can be prepared by the more traditional route of cooling a liquid, and such glasses also exhibit greatly enhanced kinetic stability. Because vapor-deposited glasses can approach the bottom of the amorphous part of the potential energy landscape, they provide insights into the properties expected for the "ideal glass." Connections between vapor-deposited glasses, liquid-cooled glasses, and deeply supercooled liquids are explored. The generality of stable glass formation for organic molecules is discussed along with the prospects for stable glasses of other types of materials.

Preparation and characterization of stable aqueous higher-order fullerenes

International Nuclear Information System (INIS)

Aich, Nirupam; Flora, Joseph R V; Saleh, Navid B

2012-01-01

Stable aqueous suspensions of nC 60 and individual higher fullerenes, i.e. C 70 , C 76 and C 84 , are prepared by a calorimetric modification of a commonly used liquid–liquid extraction technique. The energy requirement for synthesis of higher fullerenes has been guided by molecular-scale interaction energy calculations. Solubilized fullerenes show crystalline behavior by exhibiting lattice fringes in high resolution transmission electron microscopy images. The fullerene colloidal suspensions thus prepared are stable with a narrow distribution of cluster radii (42.7 ± 0.8 nm, 46.0 ± 14.0 nm, 60 ± 3.2 nm and 56.3 ± 1.1 nm for nC 60 , nC 70 , nC 76 and nC 84 , respectively) as measured by time-resolved dynamic light scattering. The ζ-potential values for all fullerene samples showed negative surface potentials with similar magnitude ( − 38.6 ± 5.8 mV, − 39.1 ± 4.2 mV, − 38.9 ± 5.8 mV and − 41.7 ± 5.1 mV for nC 60 , nC 70 , nC 76 and nC 84 , respectively), which provide electrostatic stability to the colloidal clusters. This energy-based modified solubilization technique to produce stable aqueous fullerenes will likely aid in future studies focusing on better applicability, determination of colloidal properties, and understanding of environmental fate, transport and toxicity of higher-order fullerenes. (paper)

A quasimechanism of melt acceleration in the thermal decomposition of crystalline organic solids

Energy Technology Data Exchange (ETDEWEB)

Henson, Bryan F [Los Alamos National Laboratory

2009-01-01

It has been know for half a century that many crystalline organic solids undergo an acceleration in the rate of thermal decomposition as the melting temperature is approached. This acceleration terminates at the melting point, exhibiting an Arrhenius-like temperature dependence in the faster decomposition rate from the liquid phase. This observation has been modeled previously using various premelting behaviors based on e.g. freezing point depression induced by decomposition products or solvent impurities. These models do not, however, indicate a mechanism for liquid formation and acceleration which is an inherent function of the bulk thermodynamics of the molecule. Here we show that such an inherent thermodynamic mechanism for liquid formation exists in the form of the so-called quasi-liquid layer at the solid surface. We explore a kinetic mechanism which describes the acceleration of rate and is a function of the free energies of sublimation and vaporization. We construct a differential rate law from these thermodynamic free energies and a normalized progress variable. We further construct a reduced variable formulation of the model which is a simple function of the metastable liquid activity below the melting point, and show that it is applicable to the observed melt acceleration in several common organic crystalline solids. A component of the differential rate law, zero order in the progress variable, is shown to be proportional to the thickness of the quasiliquid layer predicted by a recent thermodynamic theory for this phenomenon. This work therefore serves not only to provide new insight into thermal decomposition in a broad class or organic crystalline solids, but also further validates the underlying thermodynamic nature of the phenomenon of liquid formation on the molecular surface at temperatures below the melting point.

Enhanced thermal and mechanical properties of epoxy composites by mixing thermotropic liquid crystalline epoxy grafted graphene oxide

Directory of Open Access Journals (Sweden)

B. Qi

2014-07-01

Full Text Available Graphene oxide (GO sheets were chemically grafted with thermotropic liquid crystalline epoxy (TLCP. Then we fabricated composites using TLCP-g-GO as reinforcing filler. The mechanical properties and thermal properties of composites were systematically investigated. It is found that the thermal and mechanical properties of the composites are enhanced effectively by the addition of fillers. For instance, the composites containing 1.0 wt% of TLCP-g-GO present impact strength of 51.43 kJ/m2, the tensile strength of composites increase from 55.43 to 80.85 MPa, the flexural modulus of the composites increase by more than 48%. Furthermore, the incorporation of fillers is effective to improve the glass transition temperature and thermal stability of the composites. Therefore, the presence of the TLCP-g-GO in the epoxy matrix could make epoxy not only stronger but also tougher.

Manipulating Ion Migration for Highly Stable Light-Emitting Diodes with Single-Crystalline Organometal Halide Perovskite Microplatelets.

Science.gov (United States)

Chen, Mingming; Shan, Xin; Geske, Thomas; Li, Junqiang; Yu, Zhibin

2017-06-27

Ion migration has been commonly observed as a detrimental phenomenon in organometal halide perovskite semiconductors, causing the measurement hysteresis in solar cells and ultrashort operation lifetimes in light-emitting diodes. In this work, ion migration is utilized for the formation of a p-i-n junction at ambient temperature in single-crystalline organometal halide perovskites. The junction is subsequently stabilized by quenching the ionic movement at a low temperature. Such a strategy of manipulating the ion migration has led to efficient single-crystalline light-emitting diodes that emit 2.3 eV photons starting at 1.8 V and sustain a continuous operation for 54 h at ∼5000 cd m -2 without degradation of brightness. In addition, a whispering-gallery-mode cavity and exciton-exciton interaction in the perovskite microplatelets have both been observed that can be potentially useful for achieving electrically driven laser diodes based on single-crystalline organometal halide perovskite semiconductors.

Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

International Nuclear Information System (INIS)

Bag, Saientan; Maingi, Vishal; Maiti, Prabal K.; Yelk, Joe; Glaser, Matthew A.; Clark, Noel A.; Walba, David M.

2015-01-01

Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. [Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25° having an average inter-molecular separation of ∼5 Å. Interestingly, we find an overall tilt angle of 43° between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column

Stable electroluminescence from passivated nano-crystalline porous silicon using undecylenic acid

Science.gov (United States)

Gelloz, B.; Sano, H.; Boukherroub, R.; Wayner, D. D. M.; Lockwood, D. J.; Koshida, N.

2005-06-01

Stabilization of electroluminescence from nanocrystalline porous silicon diodes has been achieved by replacing silicon-hydrogen bonds terminating the surface of nanocrystalline silicon with more stable silicon-carbon (Si-C) bonds. Hydrosilylation of the surface of partially and anodically oxidized porous silicon samples was thermally induced at about 90 °C using various different organic molecules. Devices whose surface have been modified with stable covalent bonds shows no degradation in the EL efficiency and EL output intensity under DC operation for several hours. The enhanced stability can be attributed to the high chemical resistance of Si-C bonds against current-induced surface oxidation associated with the generation of nonradiative defects. Although devices treated with 1-decene exhibit reduced EL efficiency and brightness compared to untreatred devices, other molecules, such as ethyl-undecylenate and particularly undecylenic acid provide stable and more efficient visible electroluminescence at room temperature. Undecylenic acid provides EL brightness as high as that of an untreated device.

Chirality under confinement - multidimensional constraints in liquid crystalline materials

NARCIS (Netherlands)

Sleczkowski, P.B.

2014-01-01

The first part of the thesis is devoted to studies of the self-assembled monolayers of discotic liquid crystals by the STM measurements at the liquid/solid interface. For the case of a model H5T molecule the self-assembled monolayers have evidenced both: point and organizational types of chirality,

Gamma-irradiation effects to posttranslational modification and chaperon function of bovine α-crystalline

International Nuclear Information System (INIS)

Hiroki, K; Matsumoto, S.; Awakura, M.; Fujii, N.

2001-01-01

The formation of D-asparate (D-Asp) in αA-crystallin of the aged human eye and the cataract crystalline lens has been reported. Crystalline lens keeps the transparency by forming α-crystallin which consists of a high order association of αA-and αB-crystallin. Bovine α-crystallin for investigating a chaperone function which protects the crystalline lens from getting to opaque or disordered agglutination with heat or light, is irradiated by gamma-ray (Co-60) at 0, 1, 2, 3, and 4 kGy, respectively. The irradiated bovine α-crystallin are analyzed with electrophoresis, gel permeation chromatograph, and UV absorption spectrometer for checking on the agglutination and the isomerization of macromolecules. Oxidation of methionine residues (Met-1) and isomerization of asparagine residues (Asp-151) in the αA-crystallin are ascertained in molecular levels with reversed phase liquid chromatography. The Met-1 oxidation and the Asp-151 isomerization depend on gamma-irradiation doses. It is thought that OH radical and H radical in water generated by the irradiation lead to the oxidation and the isomerization. Stereoinversion in the α-crystallin following to such a chemical change are considered to lead to the agglutination of polymer and the reduction of chaperon function. (M. Suetake)

A new combined method of stable isotope-labeling derivatization-ultrasound-assisted dispersive liquid-liquid microextraction for the determination of neurotransmitters in rat brain microdialysates by ultra high performance liquid chromatography tandem mass spectrometry.

Science.gov (United States)

Zheng, Longfang; Zhao, Xian-En; Zhu, Shuyun; Tao, Yanduo; Ji, Wenhua; Geng, Yanling; Wang, Xiao; Chen, Guang; You, Jinmao

2017-06-01

In this work, for the first time, a new hyphenated technique of stable isotope-labeling derivatization-ultrasound-assisted dispersive liquid-liquid microextraction has been developed for the simultaneous determination of monoamine neurotransmitters (MANTs) and their biosynthesis precursors and metabolites. The developed method was based on ultra high performance liquid chromatography tandem mass spectrometry detection using multiple-reaction monitoring mode. A pair of mass spectrometry sensitizing reagents, d 0 -10-methyl-acridone-2-sulfonyl chloride and d 3 -10-methyl-acridone-2-sulfonyl chloride, as stable isotope probes was utilized to facilely label neurotransmitters, respectively. The heavy labeled MANTs standards were prepared and used as internal standards for quantification to minimize the matrix effects in mass spectrometry analysis. Low toxic bromobenzene (extractant) and acetonitrile (dispersant) were utilized in microextraction procedure. Under the optimized conditions, good linearity was observed with the limits of detection (S/N>3) and limits of quantification (S/N>10) in the range of 0.002-0.010 and 0.015-0.040nmol/L, respectively. Meanwhile, it also brought acceptable precision (4.2-8.8%, peak area RSDs %) and accuracy (recovery, 96.9-104.1%) results. This method was successfully applied to the simultaneous determination of monoamine neurotransmitters and their biosynthesis precursors and metabolites in rat brain microdialysates of Parkinson's disease and normal rats. This provided a new method for the neurotransmitters related studies in the future. Copyright © 2017 Elsevier B.V. All rights reserved.

Synthesis and Characterization of Ferroelectric Liquid Crystalline Organosiloxanes Containing 4-(4-undecanyloxy bi-phenyl-1-carboxyloxyphenyl (2S,3S-2-chloro-3-methylvalerate and 4-(4-undecanyloxybenzoyloxybiphenyl (2S,3S-2-chloro-3-methylvalerate

Directory of Open Access Journals (Sweden)

Chih-Hung Lin

2013-10-01

Full Text Available A series of new organosiloxane ferroelectric liquid crystalline (FLC materials have been synthesized, and their mesomorphic and physical properties have been characterized. Four new disiloxanes and trisiloxanes, containing biphenyl 4-hydroxybenzoate and phenyl 4-hydroxybiphenylcarboxylate as mesogenic units and eleven methylene unit as spacers and (2S,3S-2-chloro-3-methylvalerate unit as chiral end groups. The molecule, using three phenyl ring as a mesogenic unit, formulates much wider liquid crystalline phase temperature ranges than that of a two phenyl ring unit. The phenyl arrangement differences of mesogenic unit result in the greater differences of the liquid crystal phase formation. The siloxane molecule induction is helpful to the more regular smectic phase formation and smectic phase stabilization, such as chiral SC (SC* and SB phases. The siloxane molecule is helpful to reduce the phase transition temperature and broaden the liquid crystal temperature range of the SC* phase and, simultaneously, it will not induce chain crystallization phenomenon and dilute the Ps value. The synthesis and characterization of the new FLCs materials, which exhibit a room temperature SC* phase and higher spontaneous polarization are presented.

Development and evaluation of exemestane-loaded lyotropic liquid crystalline gel formulations.

Science.gov (United States)

Musa, Muhammad Nuh; David, Sheba Rani; Zulkipli, Ihsan Nazurah; Mahadi, Abdul Hanif; Chakravarthi, Srikumar; Rajabalaya, Rajan

2017-01-01

Introduction: The use of liquid crystalline (LC) gel formulations for drug delivery has considerably improved the current delivery methods in terms of bioavailability and efficacy. The purpose of this study was to develop and evaluate LC gel formulations to deliver the anti-cancer drug exemestane through transdermal route. Methods: Two LC gel formulations were prepared by phase separation coacervation method using glyceryl monooleate (GMO), Tween 80 and Pluronic® F127 (F127). The formulations were characterized with regard to encapsulation efficiency (EE), vesicle size, Fourier transform infrared (FTIR) spectroscopy, surface morphology (using light and fluorescence microscopy), in vitro release, ex vivo permeation, in vitro effectiveness test on MDA-MB231 cancer cell lines and histopathological analysis. Results: Results exhibited that the EE was 85%-92%, vesicle size was 119.9-466.2 nm while morphology showed spherical vesicles after hydration. An FTIR result also revealed that there was no significant shift in peaks corresponding to Exemestane and excipients. LC formulations release the drug from cellulose acetate and Strat-MTM membrane from 15%-88.95%, whereas ex vivo permeation ranges from 37.09-63%. The in vitro effectiveness study indicated that even at low exemestane concentrations (12.5 and 25 μg/mL) the formulations were able to induce cancer cell death, regardless of the surfactant used. Histopathological analysis thinning of the epidermis as the formulations penetrate into the intercellular regions of squamous cells. Conclusion: The results conjectured that exemestane could be incorporated into LC gels for the transdermal delivery system and further preclinical studies such as pharmacokinetic and pharmacodynamic studies will be carried out with suitable animal models.

Polypyrrole: FeOx·ZnO nanoparticle solar cells with breakthrough open-circuit voltage prepared from relatively stable liquid dispersions

KAUST Repository

Zong, Baoyu; Ho, Pin; Zhang, Zhiguo; Ng, Gingmeng; Yao, Kui; Guo, Zaibing

2014-01-01

in open air from relatively stable liquid dark-color polypyrrole-based dispersions, which were synthesized using appropriate surfactants during the in situ polymerization of pyrrole with FeCl3 or both H2O2 and FeCl3 as the oxidizers. The performance

A method for producing liquid paraffin

Energy Technology Data Exchange (ETDEWEB)

Dorodnova, V.S.; Martynenko, A.G.; Pereverzev, A.N.

1983-01-01

In the known method (Sp) for producing liquid paraffins (ZhP) through processing an oil fraction by crystalline carbamide in the presence of a solvent with subsequent removal of the formed complex (Km) of KA with the liquid paraffins from the deparaffinized product, staged washing and decomposition of the complex with isolation of the liquid paraffins, in order to increase the output of liquid paraffin and to improve its quality, beta,beta'-dichlorethyl ether (khloreks) in a mixture with methylethyl ketone (MEK) or methylisobutyl ketone in a ratio of 1 is used as the solvent, the processing by the crystalline carbamide is conducted with the addition of 180 to 260 percent solvent to raw material (Sr) and the washing of the composition is conducted by a solvent in the first stage and by methylethyl ketone or methylisobutyl ketone in the second stage. The crystalline carbamide for the complex formation is taken in a conversion of 60 to 70 percent for the raw material for observing the raw material to solvent ratio of from 1 to 1.8 to 2.6 to 0.6 to 0.6. The temperature in the zone of formation of the complex is maintained at 5 to 35 degrees. The presence of beta,beta'-dichlorethyl ether, which has high selectivity relative to aromatic hydrocarbons (ArU) and to resinous compounds provides for a sharp reduction in the adsorption of the undesired components on the surface of the granules of the complex and the crystalline carbamide and to a reduction in the portion of the alkylaromatic hydrocarbons (UV) extracted into the complex, which leads to a substantial improvement in the quality of the obtained liquid paraffins.

Filling the gap in Ca input-output budgets in base-poor forest ecosystems: The contribution of non-crystalline phases evidenced by stable isotopic dilution

Science.gov (United States)

van der Heijden, Gregory; Legout, Arnaud; Mareschal, Louis; Ranger, Jacques; Dambrine, Etienne

2017-07-01

In terrestrial ecosystems, plant-available pools of magnesium and calcium are assumed to be stored in the soil as exchangeable cations adsorbed on the surface of mineral and/or organic particles. The pools of exchangeable magnesium and calcium are measured by ion-exchange soil extractions. These pools are sustained in the long term by the weathering of primary minerals in the soil and atmospheric inputs. This conceptual model is the base of input-output budgets from which soil acidification and the sustainability of soil chemical fertility is inferred. However, this model has been questioned by data from long-term forest ecosystem monitoring sites, particularly for calcium. Quantifying the contribution of atmospheric inputs, ion exchange and weathering of both primary, secondary and non-crystalline phases to tree nutrition in the short term is challenging. In this study, we developed and applied a novel isotopic dilution technique using the stable isotopes of magnesium and calcium to study the contribution of the different soil phases to soil solution chemistry in a very acidic soil. The labile pools of Mg and Ca in the soil (pools in equilibrium with the soil solution) were isotopically labeled by spraying a solution enriched in 26Mg and 44Ca on the soil. Labeled soil columns were then percolated with a dilute acid solution during a 3-month period and the isotopic dilution of the tracers was monitored in the leaching solution, in the exchangeable (2 sequential 1 mol L-1 ammonium acetate extractions) and non-crystalline (2 sequential soil digestions: oxalic acid followed by nitric acid) phases. Significant amounts of Mg and Ca isotope tracer were recovered in the non-crystalline soil phases. These phases represented from 5% to 25% and from 24% to 50%, respectively, of the Mg and Ca labile pools during the experiment. Our results show that non-crystalline phases act as both a source and a sink of calcium and magnesium in the soil, and contribute directly to soil

Stable electroluminescence from passivated nano-crystalline porous silicon using undecylenic acid

Energy Technology Data Exchange (ETDEWEB)

Gelloz, B.; Sano, H.; Koshida, N. [Dept. Elec. and Elec. Eng., Tokyo Univ. of A and T, Koganei, Tokyo 184-8588 (Japan); Boukherroub, R. [Laboratoire de Physique de la Matiere Condensee, Ecole Polytechnique, Route de Saclay, 91128 Palaiseau (France); Wayner, D.D.M.; Lockwood, D.J. [National Research Council, Ottawa (Canada)

2005-06-01

Stabilization of electroluminescence from nanocrystalline porous silicon diodes has been achieved by replacing silicon-hydrogen bonds terminating the surface of nanocrystalline silicon with more stable silicon-carbon (Si-C) bonds. Hydrosilylation of the surface of partially and anodically oxidized porous silicon samples was thermally induced at about 90 C using various different organic molecules. Devices whose surface have been modified with stable covalent bonds shows no degradation in the EL efficiency and EL output intensity under DC operation for several hours. The enhanced stability can be attributed to the high chemical resistance of Si-C bonds against current-induced surface oxidation associated with the generation of nonradiative defects. Although devices treated with 1-decene exhibit reduced EL efficiency and brightness compared to untreated devices, other molecules, such as ethyl-undecylenate and particularly undecylenic acid provide stable and more efficient visible electroluminescence at room temperature. Undecylenic acid provides EL brightness as high as that of an untreated device. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Enhanced antitumor efficacy and counterfeited cardiotoxicity of combinatorial oral therapy using Doxorubicin- and Coenzyme Q10-liquid crystalline nanoparticles in comparison with intravenous Adriamycin

DEFF Research Database (Denmark)

Swarnakar, Nitin K; Thanki, Kaushik; Jain, Sanyog

2014-01-01

and strong synergism for combination at 1:10 dose ratio owing to higher cellular uptake, nuclear colocalization, higher apoptotic index and 8-OHdG levels. The prophylactic antitumor efficacy of the CoQ10-LCNPs was also established using tumor induction and progression studies. Finally, therapeutic antitumor......, with Dox-induced-cardiotoxicity was completely counterfeited in combination. In nutshell, LCNPs pose great potential in improving the therapeutic efficacy of drugs by oral route of administration. FROM THE CLINICAL EDITOR: This study describes the use of liquid crystalline nanoparticles containing coenzyme...

Transport of Liquid Phase Organic Solutes in Liquid Crystalline Membranes

OpenAIRE

Han, Sangil

2010-01-01

Porous cellulose nitrate membranes were impregnated with 8CB and PCH5 LCs (liquid crystals) and separations of solutes dissolved in aqueous phases were performed while monitoring solute concentration via UV-VIS spectrometry. The diffusing organic solutes, which consist of one aromatic ring and various functional groups, were selected to exclude molecular size effects on the diffusion and sorption. We studied the effects on solute transport of solute intra-molecular hydrogen bonding and so...

Modeling Textural Processes during Self-Assembly of Plant-Based Chiral-Nematic Liquid Crystals

Directory of Open Access Journals (Sweden)

Yogesh K. Murugesan

2010-12-01

Full Text Available Biological liquid crystalline polymers are found in cellulosic, chitin, and DNA based natural materials. Chiral nematic liquid crystalline orientational order is observed frozen-in in the solid state in plant cell walls and is known as a liquid crystal analogue characterized by a helicoidal plywood architecture. The emergence of the plywood architecture by directed chiral nematic liquid crystalline self assembly has been postulated as the mechanism that leads to optimal cellulose fibril organization. In natural systems, tissue growth and development takes place in the presence of inclusions and secondary phases leaving behind characteristic defects and textures, which provide a unique testing ground for the validity of the liquid crystal self-assembly postulate. In this work, a mathematical model, based on the Landau-de Gennes theory of liquid crystals, is used to simulate defect textures arising in the domain of self assembly, due to presence of secondary phases representing plant cells, lumens and pit canals. It is shown that the obtained defect patterns observed in some plant cell walls are those expected from a truly liquid crystalline phase. The analysis reveals the nature and magnitude of the viscoelastic material parameters that lead to observed patterns in plant-based helicoids through directed self-assembly. In addition, the results provide new guidance to develop biomimetic plywoods for structural and functional applications.

Solid state characterization of commercial crystalline and amorphous atorvastatin calcium samples.

Science.gov (United States)

Shete, Ganesh; Puri, Vibha; Kumar, Lokesh; Bansal, Arvind K

2010-06-01

Atorvastatin calcium (ATC), an anti-lipid BCS class II drug, is marketed in crystalline and amorphous solid forms. The objective of this study was to perform solid state characterization of commercial crystalline and amorphous ATC drug samples available in the Indian market. Six samples each of crystalline and amorphous ATC were characterized using X-ray powder diffractometry (XRPD), differential scanning calorimetry (DSC), thermogravimetric analysis, Karl Fisher titrimetry, microscopy (hot stage microscopy, scanning electron microscopy), contact angle, and intrinsic dissolution rate (IDR). All crystalline ATC samples were found to be stable form I, however one sample possessed polymorphic impurity, evidenced in XRPD and DSC analysis. Amongst the amorphous ATC samples, XRPD demonstrated five samples to be amorphous 'form 27', while, one matched amorphous 'form 23'. Thermal behavior of amorphous ATC samples was compared to amorphous ATC generated by melt quenching in DSC. ATC was found to be an excellent glass former with T(g)/T(m) of 0.95. Residual crystallinity was detected in two of the amorphous samples by complementary use of conventional and modulated DSC techniques. The wettability and IDR of all amorphous samples was found to be higher than the crystalline samples. In conclusion, commercial ATC samples exhibited diverse solid state behavior that can impact the performance and stability of the dosage forms.

Solvation Dynamics in Different Phases of the Lyotropic Liquid Crystalline System.

Science.gov (United States)

Roy, Bibhisan; Satpathi, Sagar; Gavvala, Krishna; Koninti, Raj Kumar; Hazra, Partha

2015-09-03

Reverse hexagonal (HII) liquid crystalline material based on glycerol monooleate (GMO) is considered as a potential carrier for drugs and other important biomolecules due to its thermotropic phase change and excellent morphology. In this work, the dynamics of encapsulated water, which plays important role in stabilization and formation of reverse hexagonal mesophase, has been investigated by time dependent Stokes shift method using Coumarin-343 as a solvation probe. The formation of the reverse hexagonal mesophase (HII) and transformation to the L2 phase have been monitored using small-angle X-ray scattering and polarized light microscopy experiments. REES studies suggest the existence of different polar regions in both HII and L2 systems. The solvation dynamics study inside the reverse hexagonal (HII) phase reveals the existence of two different types of water molecules exhibiting dynamics on a 120-900 ps time scale. The estimated diffusion coefficients of both types of water molecules obtained from the observed dynamics are in good agreement with the measured diffusion coefficient collected from the NMR study. The calculated activation energy is found to be 2.05 kcal/mol, which is associated with coupled rotational-translational water relaxation dynamics upon the transition from "bound" to "quasi-free" state. The observed ∼2 ns faster dynamics of the L2 phase compared to the HII phase may be associated with both the phase transformation as well as thermotropic effect on the relaxation process. Microviscosities calculated from time-resolved anisotropy studies infer that the interface is almost ∼22 times higher viscous than the central part of the cylinder. Overall, our results reveal the unique dynamical features of water inside the cylinder of reverse hexagonal and inverse micellar phases.

Silicon Monoxide at 1 atm and Elevated Pressures: Crystalline or Amorphous?

KAUST Repository

AlKaabi, Khalid

2014-03-05

The absence of a crystalline SiO phase under ordinary conditions is an anomaly in the sequence of group 14 monoxides. We explore theoretically ordered ground-state and amorphous structures for SiO at P = 1 atm, and crystalline phases also at pressures up to 200 GPa. Several competitive ground-state P = 1 atm structures are found, perforce with Si-Si bonds, and possessing Si-O-Si bridges similar to those in silica (SiO2) polymorphs. The most stable of these static structures is enthalpically just a little more stable than a calculated random bond model of amorphous SiO. In that model we find no segregation into regions of amorphous Si and amorphous SiO2. The P = 1 atm structures are all semiconducting. As the pressure is increased, intriguing new crystalline structures evolve, incorporating Si triangular nets or strips and stishovite-like regions. A heat of formation of crystalline SiO is computed; it is found to be the most negative of all the group 14 monoxides. Yet, given the stability of SiO2, the disproportionation 2SiO (s) → Si(s)+SiO2(s) is exothermic, falling right into the series of group 14 monoxides, and ranging from a highly negative ΔH of disproportionation for CO to highly positive for PbO. There is no major change in the heat of disproportionation with pressure, i.e., no range of stability of SiO with respect to SiO2. The high-pressure SiO phases are metallic. © 2014 American Chemical Society.

Stable lithium electrodeposition in liquid and nanoporous solid electrolytes

KAUST Repository

Lu, Yingying; Tu, Zhengyuan; Archer, Lynden A.

2014-01-01

of these metals and their inability to form uniform electrodeposits on surfaces with inevitable defects. We report on electrodeposition of lithium in simple liquid electrolytes and in nanoporous solids infused with liquid electrolytes. We find that simple liquid

Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

Energy Technology Data Exchange (ETDEWEB)

Xiong, L H; Lou, H B; Wang, X D; Debela, T T; Cao, Q P; Zhang, D X; Wang, S Y; Wang, C Z; Jiang, J Z

2014-04-01

The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt-Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al2Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of < 0,4,4,0 >, < 0,3, 6,0 > and < 0,4,4,2 > with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

International Nuclear Information System (INIS)

Xiong, L.H.; Lou, H.B.; Wang, X.D.; Debela, T.T.; Cao, Q.P.; Zhang, D.X.; Wang, S.Y.; Wang, C.Z.; Jiang, J.Z.

2014-01-01

The local atomic structure evolution in Al 2 Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt–Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al 2 Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of 〈0, 4, 4, 0〉, 〈0, 3, 6, 0〉 and 〈0, 4, 4, 2〉 with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF 2 -type Al 2 Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al 2 Au alloy

Electro-optics of novel polymer-liquid crystalline composites

International Nuclear Information System (INIS)

Ibragimov, T.D.; Bayramov, G.M.; Imamaliyev, A.R.; Bayramov, G.M.

2014-01-01

The polymer network liquid crystals based on the liquid crystals H37 and 5CB with PMVP and PEG have been developed. Mesogene substance HOBA is served for stabilization of obtaining composites. Kinetics of network formation is investigated by methods of polarization microscopy and integrated small-angle scattering. It is shown that gel-like states of the composite H-37+PMVP+HOBA and 5CB+PEG+HOBA are formed at polymer concentration above 7 percent and 9 percent, correspondingly. The basic electro-optic parameters of the obtained composites are determined at room temperature. Experimental results are explained by phase separation of the system, diminution of a working area of electro-optical effects and influence of areas with high polymer concentration on areas with their low concentration

Crystalline and Crystalline International Disposal Activities

Energy Technology Data Exchange (ETDEWEB)

Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-06

This report presents the results of work conducted between September 2015 and July 2016 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program. Los Alamos focused on two main activities during this period: Discrete fracture network (DFN) modeling to describe flow and radionuclide transport in complex fracture networks that are typical of crystalline rock environments, and a comprehensive interpretation of three different colloid-facilitated radionuclide transport experiments conducted in a fractured granodiorite at the Grimsel Test Site in Switzerland between 2002 and 2013. Chapter 1 presents the results of the DFN work and is divided into three main sections: (1) we show results of our recent study on the correlation between fracture size and fracture transmissivity (2) we present an analysis and visualization prototype using the concept of a flow topology graph for characterization of discrete fracture networks, and (3) we describe the Crystalline International work in support of the Swedish Task Force. Chapter 2 presents interpretation of the colloidfacilitated radionuclide transport experiments in the crystalline rock at the Grimsel Test Site.

Bacterially-mediated weathering of crystalline and amorphous Cu-slags

International Nuclear Information System (INIS)

Potysz, Anna; Grybos, Malgorzata; Kierczak, Jakub; Guibaud, Gilles; Lens, Piet N.L.; Hullebusch, Eric D. van

2016-01-01

Two types of Cu-slags (CS: crystalline massive slag and GS: granulated amorphous slag) exhibiting a different chemical and mineral phase composition were compared with respect to their susceptibility to bacterial weathering using Pseudomonas aeruginosa (n° CIP 105094). Abiotic conditions e.g. sterile growth medium and ultrapure water were used for comparison. The experiments were extended up to 112 days with a systematic liquid phase renewal every 14 days. The results revealed significant release of elements in the bacterially mediated weathering experiments. Concentrations of elements (Si, Fe, Cu, Zn and Pb) in the biotic solutions were increased at least by 20% up to 99% compared to abiotic ones. From 3 to 77% of the leached elements were associated to the fraction >0.22 μm. Scanning electron microscope observations demonstrated greater weathering of mineral phases in biotic experiments than in abiotic ones which is in accordance with the solution chemistry exhibiting higher concentrations of elements leached in biotic set-ups. In the case of CS, glass and sulfides weathering was yet observed in abiotic experiment, whereas partial dissolution of fayalite (Fe_2SiO_4) was solely affected by the presence of bacteria. GS having a higher bulk content of metallic elements was found to be more stable than sulfide-bearing CS, while its (GS) glass matrix was found to weather easier under biotic conditions. - Highlights: • Pseudomonas aeruginosa significantly enhance the release of elements from Cu-slags. • Bacteria and/or associated metabolites assist as biosorbent (e.g. Zn). • Amorphous slag is more susceptible to bio-weathering. • Metal carriers of crystalline slag are prone to dissolution. • Fe-bearing fayalite is altered solely due to the presence of bacteria.

(Meth)acrylate liquid crystalline polymers for membrane applications

Czech Academy of Sciences Publication Activity Database

Rabie, F.; Sedláková, Zdeňka; Sheth, S.; Marand, E.; Martin, S. M.; Poláková, Lenka

2015-01-01

Roč. 132, č. 43 (2015), 42694_1-42694_8 ISSN 0021-8995 Institutional support: RVO:61389013 Keywords : copolymers * liquid crystals * membranes Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.866, year: 2015

Search for underground openings for in situ test facilities in crystalline rock

Energy Technology Data Exchange (ETDEWEB)

Wollenberg, H.A.; Strisower, B.; Corrigan, D.J.; Graf, A.N.; O' Brien, M.T.; Pratt, H.; Board, M.; Hustrulid, W.

1980-01-01

With a few exceptions, crystalline rocks in this study were limited to plutonic rocks and medium to high-grade metamorphic rocks. Nearly 1700 underground mines, possibly occurring in crystalline rock, were initially identified. Application of criteria resulted in the identification of 60 potential sites. Within this number, 26 mines and 4 civil works were identified as having potential in that they fulfilled the criteria. Thirty other mines may have similar potential. Most of the mines identified are near the contact between a pluton and older sedimentary, volcanic and metamorphic rocks. However, some mines and the civil works are well within plutonic or metamorphic rock masses. Civil works, notably underground galleries associated with pumped storage hydroelectric facilities, are generally located in tectonically stable regions, in relatively homogeneous crystalline rock bodies. A program is recommended which would identify one or more sites where a concordance exists between geologic setting, company amenability, accessibility and facilities to conduct in situ tests in crystalline rock.

Search for underground openings for in situ test facilities in crystalline rock

International Nuclear Information System (INIS)

Wollenberg, H.A.; Strisower, B.; Corrigan, D.J.; Graf, A.N.; O'Brien, M.T.; Pratt, H.; Board, M.; Hustrulid, W.

1980-01-01

With a few exceptions, crystalline rocks in this study were limited to plutonic rocks and medium to high-grade metamorphic rocks. Nearly 1700 underground mines, possibly occurring in crystalline rock, were initially identified. Application of criteria resulted in the identification of 60 potential sites. Within this number, 26 mines and 4 civil works were identified as having potential in that they fulfilled the criteria. Thirty other mines may have similar potential. Most of the mines identified are near the contact between a pluton and older sedimentary, volcanic and metamorphic rocks. However, some mines and the civil works are well within plutonic or metamorphic rock masses. Civil works, notably underground galleries associated with pumped storage hydroelectric facilities, are generally located in tectonically stable regions, in relatively homogeneous crystalline rock bodies. A program is recommended which would identify one or more sites where a concordance exists between geologic setting, company amenability, accessibility and facilities to conduct in situ tests in crystalline rock

Suppressed Release of Clarithromycin from Tablets by Crystalline Phase Transition of Metastable Polymorph Form I.

Science.gov (United States)

Fujiki, Sadahiro; Watanabe, Narumi; Iwao, Yasunori; Noguchi, Shuji; Mizoguchi, Midori; Iwamura, Takeru; Itai, Shigeru

2015-08-01

The pharmaceutical properties of clarithromycin (CAM) tablets containing the metastable form I of crystalline CAM were investigated. Although the dissolution rate of form I was higher than that of stable form II, the release of CAM from form I tablet was delayed. Disintegration test and liquid penetration test showed that the disintegration of the tablet delayed because of the slow penetration of an external solution into form I tablet. Investigation by scanning electron microscopy revealed that the surface of form I tablet was covered with fine needle-shaped crystals following an exposure to the external solution. These crystals were identified as form IV crystals by powder X-ray diffraction. The phenomenon that CAM releases from tablet was inhibited by fine crystals spontaneously formed on the tablet surface could be applied to the design of sustained-release formulation systems with high CAM contents by minimizing the amount of functional excipients. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Homogeneous alignment of liquid crystalline dendrimers confined in a slit-pore. A simulation study.

Science.gov (United States)

Workineh, Zerihun G; Vanakaras, Alexandros G

2016-03-23

In this work we present results from isobaric-isothermal (NPT) Monte Carlo simulation studies of model liquid crystalline dendrimer (LCDr) systems confined in a slit-pore made of two parallel flat walls. The dendrimers are modelled as a collection of spherical and ellipsoidal particles corresponding to the junction points of the dendritic core and to the mesogenic units respectively. Assuming planar uniform (unidirectional) soft anchoring of the mesogenic units on the substrates we investigate the conformational and alignment properties of the LCDr system at different thermodynamic state points. Tractable coarse grained force fields have been used from our previous work. At low pressures the interior of the pore is almost empty, since almost all LCDrs are anchored to the substrates forming two-dimensional smectic-like structures with the mesogens aligned along the aligning direction of the substrates. As the pressure grows the LCDrs occupy the whole pore. However, even at low temperatures, the smectic organization does not transmit in the interior of the pore and is preserved for distances of 2-3 mesogenic diameters from the walls. For this reason, the global orientational order decreases with increasing pressure (density). In the vicinity (2-3 mesogenic diameters) of the pore walls, mesogenic units preserve the smectic structure whose layers are separated by layers of spherical beads. In this region individual LCDrs possess a rod like shape.

Homogeneous alignment of liquid crystalline dendrimers confined in a slit-pore. A simulation study

Science.gov (United States)

Workineh, Zerihun G.; Vanakaras, Alexandros G.

2016-03-01

In this work we present results from isobaric-isothermal (NPT) Monte Carlo simulation studies of model liquid crystalline dendrimer (LCDr) systems confined in a slit-pore made of two parallel flat walls. The dendrimers are modelled as a collection of spherical and ellipsoidal particles corresponding to the junction points of the dendritic core and to the mesogenic units respectively. Assuming planar uniform (unidirectional) soft anchoring of the mesogenic units on the substrates we investigate the conformational and alignment properties of the LCDr system at different thermodynamic state points. Tractable coarse grained force fields have been used from our previous work. At low pressures the interior of the pore is almost empty, since almost all LCDrs are anchored to the substrates forming two-dimensional smectic-like structures with the mesogens aligned along the aligning direction of the substrates. As the pressure grows the LCDrs occupy the whole pore. However, even at low temperatures, the smectic organization does not transmit in the interior of the pore and is preserved for distances of 2-3 mesogenic diameters from the walls. For this reason, the global orientational order decreases with increasing pressure (density). In the vicinity (2-3 mesogenic diameters) of the pore walls, mesogenic units preserve the smectic structure whose layers are separated by layers of spherical beads. In this region individual LCDrs possess a rod like shape.

Homogeneous alignment of liquid crystalline dendrimers confined in a slit-pore. A simulation study

International Nuclear Information System (INIS)

Workineh, Zerihun G; Vanakaras, Alexandros G

2016-01-01

In this work we present results from isobaric-isothermal (NPT) Monte Carlo simulation studies of model liquid crystalline dendrimer (LCDr) systems confined in a slit-pore made of two parallel flat walls. The dendrimers are modelled as a collection of spherical and ellipsoidal particles corresponding to the junction points of the dendritic core and to the mesogenic units respectively. Assuming planar uniform (unidirectional) soft anchoring of the mesogenic units on the substrates we investigate the conformational and alignment properties of the LCDr system at different thermodynamic state points. Tractable coarse grained force fields have been used from our previous work. At low pressures the interior of the pore is almost empty, since almost all LCDrs are anchored to the substrates forming two-dimensional smectic-like structures with the mesogens aligned along the aligning direction of the substrates. As the pressure grows the LCDrs occupy the whole pore. However, even at low temperatures, the smectic organization does not transmit in the interior of the pore and is preserved for distances of 2–3 mesogenic diameters from the walls. For this reason, the global orientational order decreases with increasing pressure (density). In the vicinity (2–3 mesogenic diameters) of the pore walls, mesogenic units preserve the smectic structure whose layers are separated by layers of spherical beads. In this region individual LCDrs possess a rod like shape. (paper)

Crystalline and Crystalline International Disposal Activities

Energy Technology Data Exchange (ETDEWEB)

Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-12-21

This report presents the results of work conducted between September 2014 and July 2015 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program.

Caution on the use of liquid nitrogen traps in stable hydrogen isotope-ratio mass spectrometry

Science.gov (United States)

Coplen, Tyler B.; Qi, Haiping

2010-01-01

An anomalous stable hydrogen isotopic fractionation of 4 ‰ in gaseous hydrogen has been correlated with the process of adding liquid nitrogen (LN2) to top off the dewar of a stainless-steel water trap on a gaseous hydrogen-water platinum equilibration system. Although the cause of this isotopic fractionation is unknown, its effect can be mitigated by (1) increasing the capacity of any dewars so that they do not need to be filled during a daily analytic run, (2) interspersing isotopic reference waters among unknowns, and (3) applying a linear drift correction and linear normalization to isotopic results with a program such as Laboratory Information Management System (LIMS) for Light Stable Isotopes. With adoption of the above guidelines, measurement uncertainty can be substantially improved. For example, the long-term (months to years) δ2H reproducibility (1& sigma; standard deviation) of nine local isotopic reference waters analyzed daily improved substantially from about 1‰ to 0.58 ‰. This isotopically fractionating mechanism might affect other isotope-ratio mass spectrometers in which LN2 is used as a moisture trap for gaseous hydrogen

Cellular Lipid Extraction for Targeted Stable Isotope Dilution Liquid Chromatography-Mass Spectrometry Analysis

Science.gov (United States)

Gelhaus, Stacy L.; Mesaros, A. Clementina; Blair, Ian A.

2011-01-01

The metabolism of fatty acids, such as arachidonic acid (AA) and linoleic acid (LA), results in the formation of oxidized bioactive lipids, including numerous stereoisomers1,2. These metabolites can be formed from free or esterified fatty acids. Many of these oxidized metabolites have biological activity and have been implicated in various diseases including cardiovascular and neurodegenerative diseases, asthma, and cancer3-7. Oxidized bioactive lipids can be formed enzymatically or by reactive oxygen species (ROS). Enzymes that metabolize fatty acids include cyclooxygenase (COX), lipoxygenase (LO), and cytochromes P450 (CYPs)1,8. Enzymatic metabolism results in enantioselective formation whereas ROS oxidation results in the racemic formation of products. While this protocol focuses primarily on the analysis of AA- and some LA-derived bioactive metabolites; it could be easily applied to metabolites of other fatty acids. Bioactive lipids are extracted from cell lysate or media using liquid-liquid (l-l) extraction. At the beginning of the l-l extraction process, stable isotope internal standards are added to account for errors during sample preparation. Stable isotope dilution (SID) also accounts for any differences, such as ion suppression, that metabolites may experience during the mass spectrometry (MS) analysis9. After the extraction, derivatization with an electron capture (EC) reagent, pentafluorylbenzyl bromide (PFB) is employed to increase detection sensitivity10,11. Multiple reaction monitoring (MRM) is used to increase the selectivity of the MS analysis. Before MS analysis, lipids are separated using chiral normal phase high performance liquid chromatography (HPLC). The HPLC conditions are optimized to separate the enantiomers and various stereoisomers of the monitored lipids12. This specific LC-MS method monitors prostaglandins (PGs), isoprostanes (isoPs), hydroxyeicosatetraenoic acids (HETEs), hydroxyoctadecadienoic acids (HODEs), oxoeicosatetraenoic

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.

Irradiation-induced dimensional changes of poorly crystalline carbons

International Nuclear Information System (INIS)

Bullock, R.E.

1979-01-01

Data are presented on irradiation-induced changes of poorly crystalline carbons at high temperatures(>900 0 C). The materials surveyed include: (1) carbon fibers, (2) glassy carbons, (3) carbonaceous matrix materials for HTGR fuel rods and (4) pyrocarbons. The materials are listed in order of increasing stability, with maximum strains ranging from more than 50% for fibers to less than 10% for pyrocarbons. Dimensional changes of highly anisotropic carbon fibers appear to be sensitive to irradiation temperature, as slightly anisotropic pyrocarbons are, whereas temperature seems to have little influence on the behavior of isotropic glassy carbons over the range from 600 to 1350 0 C. Dimensional changes for graphite-filled matrix materials were roughly isotropic on the average and did not seem to be strongly temperature dependent for the lower fluences investigated. Increased graphite filler lowered volumetric dimensional changes of the matrix in agreement with a rule-of-mixtures relationship between change components for the filler and the less-stable binder phases. Instabilities of all of the poorly crystalline materials were generally greater than those for more crystalline carbons under the same conditions, including highly orientated graphites that approximate single-crystal behavior. (author)

Alignment control of columnar liquid crystals with wavelength tunable CO2 laser irradiation

International Nuclear Information System (INIS)

Monobe, Hirosato; Awazu, Kunio; Shimizu, Yo

2008-01-01

Infrared-induced alignment change with wavelength tunable CO 2 laser irradiation for columnar liquid crystal domains was investigated for a liquid crystalline triphenylene derivative. A uniformly aligned alignment change of domains was observed when a chopped linearly polarized infrared laser light corresponding to the wavelength of the aromatic C-O-C stretching vibration band (9.65 μm) was irradiated. The results strongly imply that the infrared irradiation is a possible technique for device fabrication by use of columnar mesophase as a liquid crystalline semiconductor

Liquid Crystals in Decorative and Visual Arts

Science.gov (United States)

Makow, David

The following sections are included: * INTRODUCTION * PIGMENT AND STRUCTURAL COLOURS AND THEIR RELEVANCE TO LIQUID CRYSTALS * LIQUID CRYSTAL MATERIALS AND TECHNIQUES FOR DECORATIVE AND VISUAL ARTS * Free cholesteric liquid crystals (FCLC's) * Encapsulated liquid crystals (ECLC's) * Nonsteroid Chiral nematics * Polymers with liquid crystalline properties (PLCs) * COLOUR PROPERTIES OF CHOLESTERIC LIQUID CRYSTALS (CLC's) * Molecular structure and the mechanism of colour production * Dependence of perceived colours on the angle of illumination and viewing * Dependence of perceived colours on temperature * Additive colour properties * Methods of doubling the peak reflectance of cholesteric liquid crystals * Colour gamut * Colours of superimposed and pigmented coatings * Colours in transmission * ACKNOWLEDGEMENTS * REFERENCES

Liquid crystals in biotribology synovial joint treatment

CERN Document Server

Ermakov, Sergey; Eismont, Oleg; Nikolaev, Vladimir

2016-01-01

This book summarizes the theoretical and experimental studies confirming the concept of the liquid-crystalline nature of boundary lubrication in synovial joints. It is shown that cholesteric liquid crystals in the synovial liquid play a significant role in the mechanism of intra-articular friction reduction. The results of structural, rheological and tribological research of the creation of artificial synovial liquids - containing cholesteric liquid crystals in natural synovial liquids - are described. These liquid crystals reproduce the lubrication properties of natural synovia and provide a high chondroprotective efficiency. They were tested in osteoarthritis models and in clinical practice.

The Enhanced Intramolecular Energy Transfer and Strengthened ff Luminescence of a Stable Helical Eu Complex in Ionic Liquids

Directory of Open Access Journals (Sweden)

Yuki Hasegawa

2018-01-01

Full Text Available The luminescence of a Eu complex (EuL is enhanced by stabilization of the coordination structure in highly viscous ionic liquids. The EuL was found to maintain a stable single helical structure both in organic solvents and in the ionic liquids [BMIM][PF6] and [EMIM][PF6]. A colorless solution of EuL dissolved in [BMIM][PF6] exhibits bright red luminescence with a quantum yield of 32.3%, a value that is much higher than that in acetonitrile (12%. Estimated rate constants for the energy relaxation pathway indicate that the energy transfer efficiency is enhanced in [BMIM][PF6] as a result of the suppression of molecular fluctuations in the ligands. Additionally, a highly luminescent helical structure is preserved in [EMIM][PF6] up to 120 °C.

Formation of a new archetypal Metal-Organic Framework from a simple monatomic liquid

International Nuclear Information System (INIS)

Metere, Alfredo; Oleynikov, Peter; Dzugutov, Mikhail; O’Keeffe, Michael

2014-01-01

We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liquid state, a low-density porous crystalline phase. Its structure analysis demonstrates that the crystal can be described by a net with a topology that belongs to the class of topologies characteristic of the Metal-Organic Frameworks (MOFs). The observed net is new, and it is now included in the Reticular Chemistry Structure Resource database. The observation that a net topology characteristic of MOF crystals, which are known to be formed by a coordination-driven self-assembly process, can be reproduced by a thermodynamically stable configuration of a simple single-component system of particles opens a possibility of using these models in studies of MOF nets. It also indicates that structures with MOF topology, as well as other low-density porous crystalline structures can possibly be produced in colloidal systems of spherical particles, with an appropriate tuning of interparticle interaction

Lyotropic liquid crystalline nanoparticles of CoQ10

DEFF Research Database (Denmark)

Swarnakar, Nitin K; Thanki, Kaushik; Jain, Sanyog

2014-01-01

. The developed formulations were also found to be stable in simulated gastrointestinal fluids for the stipulated period of time. The in vitro drug release studies revealed a bimodal sustained release drug profile with Higuchi type release kinetics as the best fit release model for both the formulations. The best...

Synthesis and Characterization of Liquid Crystalline Copolymethacrylates, Copolyacrylates and Copolysiloxanes Containing 4-Methoxy-4’-Hydroxy-alpha-Methylstilbene and 4-Hydroxy-4’-Methoxy-alpha-Methylstilbene Constitutional Isomers as Side Groups.

Science.gov (United States)

1987-01-01

10*C, concentrated sulfuric acid (31.0 g, 0.32 mole ) was added dropwise during 1.5 hr. The reaction mixture was stirred at this temperature for 2...characterization of the polymethacrylates . Indifferent of the thermal history and - ., .. _%,, n -x,, ; *> ;.. ’ . ,..... *p.****, * . - _. .. ... .~ • ’ -18...followed by a liquid crystalline mesophase, and the isotropization transition. Only the polymethacrylate containing eleven methylenic units in the

Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

KAUST Repository

Song, Zhibo

2018-04-04

Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

Science.gov (United States)

Song, Zhibo; Wang, Qixing; Li, Ming-Yang; Li, Lain-Jong; Zheng, Yu Jie; Wang, Zhuo; Lin, Tingting; Chi, Dongzhi; Ding, Zijing; Huang, Yu Li; Thye Shen Wee, Andrew

2018-04-01

Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48 ) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

Transient molecular orientation and rheology in flow aligning thermotropic liquid crystalline polymers

International Nuclear Information System (INIS)

Ugaz, Victor M.; Burghardt, Wesley R.; Zhou, Weijun; Kornfield, Julia A.

2001-01-01

Quantitative measurements of molecular orientation and rheology are reported for various transient shear flows of a nematic semiflexible copolyether. Unlike the case of lyotropic liquid crystalline polymers (LCPs), whose structure and rheology in shear are dominated by director tumbling, this material exhibits flow aligning behavior. The observed behavior is quite similar to that seen in a copolyester that we have recently studied [Ugaz and Burghardt (1998)], suggesting that flow aligning dynamics may predominate in main-chain thermotropes that incorporate significant chain flexibility. Since the flow aligning regime has received little attention in previous attempts to model the rheology of textured, polydomain LCPs, we attempt to determine whether available models are capable of predicting the orientation and stress response of this class of LCP. We first examine the predictions of the polydomain Ericksen model, an adaptation of Ericksen's transversely isotropic fluid model which accounts for the polydomain distribution of director orientation while neglecting distortional elasticity. This simple model captures a number of qualitative and quantitative features associated with the evolution of orientation and stress during shear flow inception, but cannot cope with reversing flows. To consider the possible role of distortional elasticity in the re-orientation dynamics upon reversal, we evaluate the mesoscopically averaged domain theory of Larson and Doi [Larson and Doi (1991)], which incorporates a phenomenological description of distortional elastic effects. To date, their approach to account for polydomain structure has only been applied to describe tumbling LCPs. We find that it captures the qualitative transient orientation response to flow reversals, but is less successful in describing the evolution of stresses. This is linked to the decoupling approximation adopted during the model's development. Finally, a modified polydomain Ericksen model is introduced

Structure of magnetic particles studied by small angle neutron scattering. [Magnetic colloid particles in stable liquid dispersion

Energy Technology Data Exchange (ETDEWEB)

Cebula, D J; Charles, S W; Popplewell, J

1981-03-01

The purpose of this note is to show how the use of small angle neutron scattering (SANS) can provide fundamental information on the structure of magnetic colloid particles in stable liquid dispersion. A more detailed account elaborating the use of the technique to provide fundamental information on interactions will appear later. This contribution contains some principal results on particle structure. The technique of SANS provides a very sensitive means of measuring particle size by measuring the scattered neutron intensity, I(Q), as a function of scattered wave vector, Q.

Crystalline Silica Primer

Science.gov (United States)

,

1992-01-01

Crystalline silica is the scientific name for a group of minerals composed of silicon and oxygen. The term crystalline refers to the fact that the oxygen and silicon atoms are arranged in a threedimensional repeating pattern. This group of minerals has shaped human history since the beginning of civilization. From the sand used for making glass to the piezoelectric quartz crystals used in advanced communication systems, crystalline silica has been a part of our technological development. Crystalline silica's pervasiveness in our technology is matched only by its abundance in nature. It's found in samples from every geologic era and from every location around the globe. Scientists have known for decades that prolonged and excessive exposure to crystalline silica dust in mining environments can cause silicosis, a noncancerous lung disease. During the 1980's, studies were conducted that suggested that crystalline silica also was a carcinogen. As a result of these findings, crystalline silica has been regulated under the Occupational Safety and Health Administration's (OSHA) Hazard Communication Standard (HCS). Under HCS, OSHAregulated businesses that use materials containing 0.1% or more crystalline silica must follow Federal guidelines concerning hazard communication and worker training. Although the HCS does not require that samples be analyzed for crystalline silica, mineral suppliers or OSHAregulated

120 mm Single-crystalline perovskite and wafers: towards viable applications

Institute of Scientific and Technical Information of China (English)

Yucheng Liu; Bo Wang; Qingbo Wei; Fengwei Xiao; Haibo Fan; Hao Deng; Liangping Deng; Shengzhong (Frank) Liu; Xiaodong Ren; Jing Zhang; Zhou Yang; Dong Yang; Fengyang Yu; Jiankun Sun; Changming Zhao; Zhun Yao

2017-01-01

As the large single-crystalline silicon wafers have revolutionized many industries including electronics and solar cells,it is envisioned that the availability of large single-crystalline perovskite crystals and wafers will revolutionize its broad applications in photovoltaics,optoelectronics,lasers,photodetectors,light emitting diodes (LEDs),etc.Here we report a method to grow large single-crystalline perovskites including single-halide crystals:CH3NH3PbX3 (X=Ⅰ,Br,Cl),and dual-halide ones:CH3NH3Pb(ClxBr1-x)3 and CH3NH3Pb(BrxI1-x)3,with the largest crystal being 120 mm in length.Meanwhile,we have advanced a process to slice the large perovskite crystals into thin wafers.It is found that the wafers exhibit remarkable features:(1) its trap-state density is a million times smaller than that in the microcrystalline perovskite thin films (MPTF);(2) its carrier mobility is 410 times higher than its most popular organic counterpart P3HT;(3) its optical absorption is expanded to as high as 910 nm comparing to 797 nm for the MPTF;(4) while MPTF decomposes at 150 ℃,the wafer is stable at high temperature up to 270 ℃;(5) when exposed to high humidity (75％ RH),MPTF decomposes in 5 h while the wafer shows no change for overnight;(6) its photocurrent response is 250 times higher than its MPTF counterpart.A few electronic devices have been fabricated using the crystalline wafers.Among them,the Hall test gives low carrier concentration with high mobility.The trap-state density is measured much lower than common semiconductors.Moreover,the large SC-wafer is found particularly useful for mass production of integrated circuits.By adjusting the halide composition,both the optical absorption and the light emission can be fine-tuned across the entire visible spectrum from 400 nm to 800 nm.It is envisioned that a range of visible lasers and LEDs may be developed using the dual-halide perovskites.With fewer trap states,high mobility,broader absorption,and humidity resistance,it is

QbD based approach for optimization of Tenofovir disoproxil fumarate loaded liquid crystal precursor with improved permeability

Directory of Open Access Journals (Sweden)

Sharvil Patil

2017-11-01

Full Text Available BCS class III drugs suffer from a drawback of low permeability even though they have high aqueous solubility. The objective of current work was to screen the suitability of glyceryl monooleate (GMO/Pluronic F127 cubic phase liquid crystals precursors for permeation enhancement and in turn the bioavailability of tenofovir disoproxil fumarate (TDF, a BCS class III drug. Spray-drying method was used for preparation of TDF loaded liquid crystal precursors (LCP consisting of GMO/Pluronic F127 and lactose monohydrate with an ability to in situ transform into stable cubic phases upon hydration. The quality by design (QbD approach (Factorial design was used for batch optimization. Spherical TDF loaded LCP as revealed by scanning electron microscopy photographs when hydrated and analyzed by small angle X-ray scattering confirmed formation of cubic phase. Differential scanning calorimetry and X-ray diffraction studies confirmed the molecular dispersion of TDF in polymer matrix and also suggested the conversion of TDF from crystalline to amorphous form. In vitro TDF release from prepared LCP showed controlled drug release over a period of 10 h. Further ex vivo studies revealed permeation enhancing activity of prepared LCP, which was highest when tested in presence of digestive enzyme extract. Thus, formulation of stable liquid crystal powder precursor can serve as an alternative for designing oral delivery system for drugs with low permeability.

LPE growth and scintillation properties of (Zn,Mg)O single crystalline film

Czech Academy of Sciences Publication Activity Database

Yoshikawa, A.; Yanagida, T.; Fujimoto, Y.; Kurosawa, S.; Yokota, Y.; Yamaji, A.; Sugiyama, M.; Wakahara, S.; Futami, Y.; Kikuchi, M.; Miyamoto, M.; Sekiwa, H.; Nikl, Martin

2012-01-01

Roč. 59, č. 5 (2012), 2286-2289 ISSN 0018-9499 R&D Projects: GA MŠk LH12150 Institutional research plan: CEZ:AV0Z10100521 Keywords : crystalline materials * epitaxial layers * liquid phase epitaxy * scintillator * semiconductor films Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.219, year: 2012

Thermodynamic behavior of very stable binary compounds with a wide homogeneity range: Their influence in the liquid phase in ternary and higher component systems in the solid state

International Nuclear Information System (INIS)

Hoch, M.

1988-01-01

The Hoch-Arpshofen model is combined with the Schottky-Wagner disorder model to describe first binary liquid systems, where a very stable solid protrudes into the liquid. We analyze the systems K-I 2 , Cs-I 2 , U-UO 3 , Ag-S and Al-Sb. The system Al-Sb can be described as Al-Sb and as Al-AlSb-Sb. Then we examine the Al-Co, Al-Ni, and Al-Fe systems to describe the stable compounds CoAl, NiAl, and FeAl, which all have a wide homogeneity range in the solid state. Here the Schottky-Wagner model is sufficient. Finally we describe a model which treats the influence of these stable binary compounds in ternary and larger systems such as Al-Cr-Ni and Al-Cr-Fe, again in the solid state. (orig./IHOE) [de

Experimental evidence of a liquid-liquid transition in interfacial water

Science.gov (United States)

Zanotti, J.-M.; Bellissent-Funel, M.-C.; Chen, S.-H.

2005-07-01

At ambient pressure, bulk liquid water shows an anomalous increase of thermodynamic quantities and apparent divergences of dynamic properties on approaching a temperature Ts of 228 K. At normal pressure, supercooled water spontaneously freezes below the homogeneous nucleation temperature, TH = 235 K. Upon heating, the two forms of Amorphous Solid Water (ASW), LDA (Low Density Amorphous Ice) and HDA (High Density Amorphous Ice), crystallise above TX = 150 K. As a consequence, up to now no experiment has been able to explore the properties of liquid water in this very interesting temperature range between 150 and 235 K. We present nanosecond-time-scale measurements of local rotational and translational dynamics of interfacial, non-crystalline, water from 77 to 280 K. These experimental dynamic results are combined with calorimetric and diffraction data to show that after exhibiting a glass transition at 165 K, interfacial water experiences a first-order liquid-liquid transition at 240 K from a low-density to a high-density liquid. This is the first direct evidence of the existence of a liquid-liquid transition involving water.

Ultra-photo-stable coherent random laser based on liquid waveguide gain channels doped with boehmite nanosheets

Science.gov (United States)

Zhang, Hua; Zhang, Hong; Yang, Chao; Dai, Jiangyun; Yin, Jiajia; Xue, Hongyan; Feng, Guoying; Zhou, Shouhuan

2018-02-01

Construction of ultra-photo-stable coherent random laser based on liquid waveguide gain channels doped with boehmite nanosheets has been demonstrated. An Al plate uniformly coated with boehmite nanosheets was prepared by an alkali-treatment method and used as a scattering surface for the coherent random laser. Microcavity may be formed between these boehmite nanosheets owing to the strong optical feedback induced by the multiple light scattering. Many sharp peaks are observed in the emission spectra, and their laser thresholds are different, which confirms the feedback mechanism is coherent. The linewidth of the main peak at 571.74 nm is 0.28 nm, and the threshold of the main peak is about 4.96 mJ/cm2. Due to the fluidity of liquid waveguide gain medium, the photostability of this coherent random laser is better than the conventional solid state dye random lasers. The emission direction is well constrained by the waveguide effect within a certain angular range (±30°). This kind of coherent random laser can be applied in optical fluid lasers and photonic devices.

Quality by Design approach to spray drying processing of crystalline nanosuspensions.

Science.gov (United States)

Kumar, Sumit; Gokhale, Rajeev; Burgess, Diane J

2014-04-10

Quality by Design (QbD) principles were explored to understand spray drying process for the conversion of liquid nanosuspensions into solid nano-crystalline dry powders using indomethacin as a model drug. The effects of critical process variables: inlet temperature, flow and aspiration rates on critical quality attributes (CQAs): particle size, moisture content, percent yield and crystallinity were investigated employing a full factorial design. A central cubic design was employed to generate the response surface for particle size and percent yield. Multiple linear regression analysis and ANOVA were employed to identify and estimate the effect of critical parameters, establish their relationship with CQAs, create design space and model the spray drying process. Inlet temperature was identified as the only significant factor (p value dried nano-crystalline powders. Aspiration and flow rates were identified as significant factors affecting yield (p value dried at higher inlet temperatures had lower moisture compared to those dried at lower inlet temperatures. Published by Elsevier B.V.

Magneto-responsive liquid crystalline elastomer nanocomposites as potential candidates for dynamic cell culture substrates

Energy Technology Data Exchange (ETDEWEB)

Herrera-Posada, Stephany; Mora-Navarro, Camilo; Ortiz-Bermudez, Patricia; Torres-Lugo, Madeline [Department of Chemical Engineering, Call Box 9000, University of Puerto Rico, Mayagüez PR 00681 (Puerto Rico); McElhinny, Kyle M.; Evans, Paul G. [Department of Materials Science and Engineering, 1509 University Avenue, University of Wisconsin-Madison, WI 53706 (United States); Calcagno, Barbara O. [Department of General Engineering, Call Box 9000, University of Puerto Rico, Mayagüez PR 00681 (Puerto Rico); Acevedo, Aldo, E-mail: aldo.acevedo@upr.edu [Department of Chemical Engineering, Call Box 9000, University of Puerto Rico, Mayagüez PR 00681 (Puerto Rico)

2016-08-01

Recently, liquid crystalline elastomers (LCEs) have been proposed as active substrates for cell culture due to their potential to attach and orient cells, and impose dynamic mechanical signals through the application of external stimuli. In this report, the preparation of anisotropic and oriented nematic magnetic-sensitized LCEs with iron oxide nanoparticles, and the evaluation of the effect of particle addition at low concentrations on the resultant structural, thermal, thermo-mechanical, and mechanical properties is presented. Phase transformations produced by heating in alternating magnetic fields were investigated in LCEs in contact with air, water, and a common liquid cell culture medium was also evaluated. The inclusion of nanoparticles into the elastomers displaced the nematic-to-isotropic phase transition, without affecting the nematic structure as evidenced by similar values of the order parameter, while reducing the maximum thermomechanical deformations. Remote and reversible deformations of the magnetic LCEs were achieved through the application of alternating magnetic fields, which induces the nematic–isotropic phase transition through nanoparticle heat generation. Formulation parameters can be modified to allow for remote actuation at values closer to the human physiological temperature range and within the range of deformations that can affect the cellular behavior of fibroblasts. Finally, a collagen surface treatment was performed to improve compatibility with NIH-3T3 fibroblast cultures, which enabled the attachment and proliferation of fibroblasts on substrates with and without magnetic particles under quiescent conditions. The LCEs developed in this work, which are able to deform and experience stress changes by remote contact-less magnetic stimulation, may allow for further studies on the effect of substrate morphology changes and dynamic mechanical properties during in vitro cell culture. - Highlights: • Magnetic LCE nanocomposites were

Magneto-responsive liquid crystalline elastomer nanocomposites as potential candidates for dynamic cell culture substrates

International Nuclear Information System (INIS)

Herrera-Posada, Stephany; Mora-Navarro, Camilo; Ortiz-Bermudez, Patricia; Torres-Lugo, Madeline; McElhinny, Kyle M.; Evans, Paul G.; Calcagno, Barbara O.; Acevedo, Aldo

2016-01-01

Recently, liquid crystalline elastomers (LCEs) have been proposed as active substrates for cell culture due to their potential to attach and orient cells, and impose dynamic mechanical signals through the application of external stimuli. In this report, the preparation of anisotropic and oriented nematic magnetic-sensitized LCEs with iron oxide nanoparticles, and the evaluation of the effect of particle addition at low concentrations on the resultant structural, thermal, thermo-mechanical, and mechanical properties is presented. Phase transformations produced by heating in alternating magnetic fields were investigated in LCEs in contact with air, water, and a common liquid cell culture medium was also evaluated. The inclusion of nanoparticles into the elastomers displaced the nematic-to-isotropic phase transition, without affecting the nematic structure as evidenced by similar values of the order parameter, while reducing the maximum thermomechanical deformations. Remote and reversible deformations of the magnetic LCEs were achieved through the application of alternating magnetic fields, which induces the nematic–isotropic phase transition through nanoparticle heat generation. Formulation parameters can be modified to allow for remote actuation at values closer to the human physiological temperature range and within the range of deformations that can affect the cellular behavior of fibroblasts. Finally, a collagen surface treatment was performed to improve compatibility with NIH-3T3 fibroblast cultures, which enabled the attachment and proliferation of fibroblasts on substrates with and without magnetic particles under quiescent conditions. The LCEs developed in this work, which are able to deform and experience stress changes by remote contact-less magnetic stimulation, may allow for further studies on the effect of substrate morphology changes and dynamic mechanical properties during in vitro cell culture. - Highlights: • Magnetic LCE nanocomposites were

Design of multi materials combining crystalline and amorphous metallic alloys

International Nuclear Information System (INIS)

Volland, A.; Ragani, J.; Liu, Y.; Gravier, S.; Suéry, M.; Blandin, J.J.

2012-01-01

Highlights: ► Elaboration of multi materials associating metallic glasses and conventional crystalline alloys by co-deformation performed at temperatures close to the glass transition temperature of the metallic glasses. ► Elaboration of filamentary metal matrix composites with a core in metallic glass by co extrusion. ► Sandwich structures produced by co-pressing. ► Detection of atomic diffusion from the glass to the crystalline alloys during the processes. ► Good interfaces between the metallic glasses and the crystalline alloys, as confirmed by mechanical characterisation. - Abstract: Multi materials, associating zirconium based bulk metallic glasses and crystalline metallic alloys like magnesium alloys or copper are elaborated by co-deformation processing performed in the supercooled liquid regions (SLR) of the bulk metallic glasses. Two processes are investigated: co-extrusion and co-pressing. In the first case, filamentary composites with various designs can be produced whereas in the second case sandwich structures are obtained. The experimental window (temperature, time) in which processing can be carried out is directly related to the crystallisation resistance of the glass which requires getting information about the crystallisation conditions in the selected metallic glasses. Thermoforming windows are identified for the studied BMGs by thermal analysis and compression tests in their SLR. The mechanical properties of the produced multi materials are investigated thanks to specifically developed mechanical devices and the interfaces between the amorphous and the crystalline alloys are characterised.

Interactions in ion pairs of protic ionic liquids: Comparison with aprotic ionic liquids

International Nuclear Information System (INIS)

Tsuzuki, Seiji; Shinoda, Wataru; Miran, Md. Shah; Kinoshita, Hiroshi; Yasuda, Tomohiro; Watanabe, Masayoshi

2013-01-01

The stabilization energies for the formation (E form ) of 11 ion pairs of protic and aprotic ionic liquids were studied by MP2/6-311G ** level ab initio calculations to elucidate the difference between the interactions of ions in protic ionic liquids and those in aprotic ionic liquids. The interactions in the ion pairs of protic ionic liquids (diethylmethylammonium [dema] and dimethylpropylammonium [dmpa] based ionic liquids) are stronger than those of aprotic ionic liquids (ethyltrimethylammonium [etma] based ionic liquids). The E form for the [dema][CF 3 SO 3 ] and [dmpa][CF 3 SO 3 ] complexes (−95.6 and −96.4 kcal/mol, respectively) are significantly larger (more negative) than that for the [etma][CF 3 SO 3 ] complex (−81.0 kcal/mol). The same trend was observed for the calculations of ion pairs of the three cations with the Cl − , BF 4 − , TFSA − anions. The anion has contact with the N–H bond of the dema + or dmpa + cations in the most stable geometries of the dema + and dmpa + complexes. The optimized geometries, in which the anions locate on the counter side of the cations, are 11.0–18.0 kcal/mol less stable, which shows that the interactions in the ions pairs of protic ionic liquids have strong directionality. The E form for the less stable geometries for the dema + and dmpa + complexes are close to those for the most stable etma + complexes. The electrostatic interaction, which is the major source of the attraction in the ion pairs, is responsible for the directionality of the interactions and determining the magnitude of the interaction energy. Molecular dynamic simulations of the [dema][TFSA] and [dmpa][TFSA] ionic liquids show that the N–H bonds of the cations have contact with the negatively charged (oxygen and nitrogen) atoms of TFSA − anion, while the strong directionality of the interactions was not suggested from the simulation of the [etma][CF 3 SO 3 ] ionic liquid

Competitive concurrence of surface wrinkling and dewetting of liquid crystalline polymer films on non-wettable substrates.

Science.gov (United States)

Song, Sung E; Choi, Gwan H; Yi, Gi-Ra; Yoo, Pil J

2017-11-01

Polymeric thin films coated on non-wettable substrates undergo film-instabilities, which are usually manifested as surface deformation in the form of dewetting or wrinkling. The former takes place in fluidic films, whereas the latter occurs in solid films. Therefore, there have rarely been reports of systems involving simultaneous deformations of dewetting and wrinkling. In this study, we propose polymeric thin films of liquid crystalline (LC) mesogens prepared on a non-wettable Si substrate and apply a treatment of plasma irradiation to form a thin polymerized layer at the surface. The resulting compressive stress generated in the surface region drives the formation of wrinkles, while at the same time, dipolar attraction between LC molecules induces competitive cohesive dewetting. Intriguing surface structures were obtained whereby dewetting-like hole arrays are nested inside the randomly propagated wrinkles. The structural features are readily controlled by the degree of surface cross-linking, hydrophilicity of the substrates, and the LC film thickness. In particular, dewetting of LC mesogens is observed to be restricted to occur at the trough regions of wrinkles, exhibiting the typical behavior of geometrically confined dewetting. Finally, wrinkling-dewetting mixed structures are separated from the substrate in the form of free standing films to demonstrate the potential applicability as membranes.

Liquid crystalline phase as a probe for crystal engineering of lactose: carrier for pulmonary drug delivery.

Science.gov (United States)

Patil, Sharvil S; Mahadik, Kakasaheb R; Paradkar, Anant R

2015-02-20

The current work was undertaken to assess suitability of liquid crystalline phase for engineering of lactose crystals and their utility as a carrier in dry powder inhalation formulations. Saturated lactose solution was poured in molten glyceryl monooleate which subsequently transformed into gel. The gel microstructure was analyzed by PPL microscopy and SAXS. Lactose particles recovered from gels after 48 h were analyzed for polymorphism using techniques such as FTIR, XRD, DSC and TGA. Particle size, morphology and aerosolisation properties of prepared lactose were analyzed using Anderson cascade impactor. In situ seeding followed by growth of lactose crystals took place in gels with cubic microstructure as revealed by PPL microscopy and SAXS. Elongated (size ∼ 71 μm) lactose particles with smooth surface containing mixture of α and β-lactose was recovered from gel, however percentage of α-lactose was more as compared to β-lactose. The aerosolisation parameters such as RD, ED, %FPF and % recovery of lactose recovered from gel (LPL) were found to be comparable to Respitose® ML001. Thus LC phase (cubic) can be used for engineering of lactose crystals so as to obtain particles with smooth surface, high elongation ratio and further they can be used as carrier in DPI formulations. Copyright © 2014 Elsevier B.V. All rights reserved.

Lyotropic Liquid Crystalline Nanoparticles of Amphotericin B: Implication of Phytantriol and Glyceryl Monooleate on Bioavailability Enhancement.

Science.gov (United States)

Jain, Sanyog; Yadav, Pooja; Swami, Rajan; Swarnakar, Nitin Kumar; Kushwah, Varun; Katiyar, Sameer S

2018-05-01

Implication of different dietary specific lipids such as phytantriol (PT) and glyceryl monooleate (GMO) on enhancing the oral bioavailability of amphotericin B (AmB) was examined. Liquid crystalline nanoparticles (LCNPs) were prepared using hydrotrope method, followed by in vitro characterization, Caco-2 cell monolayer uptake, and in vivo pharmacokinetic and toxicity evaluation. Optimized AmB-LCNPs displayed small particle size (< 210 nm) with a narrow distribution (~ 0.2), sustained drug release and high gastrointestinal stability, and reduced hemolytic toxicity. PLCNPs presented slower release, i.e., ~ 80% as compared to ~ 90% release in case of GLCNPs after 120 h. Significantly higher uptake in Caco-2 monolayer substantiated the role of LCNPs in increasing the intestinal permeability followed by increased drug titer in plasma. Pharmacokinetic studies demonstrated potential of PT in enhancing the bioavailability (approximately sixfold) w.r.t. of its native counterpart with reduced nephrotoxicity as presented by reduced nephrotoxicity biomarkers and histology studies. These studies established usefulness of PLCNPs over GLCNPs and plain drug. It can be concluded that acid-resistant lipid, PT, can be utilized efficiently as an alternate lipid for the preparation of LCNPs to enhance bioavailability and to reduce nephrotoxicity of the drug as compared to other frequently used lipid, i.e., GMO.

Effect of organoclay on the orientation and thermal properties of liquid-crystalline polymers

CSIR Research Space (South Africa)

Bandyopadhyay, J

2007-08-01

Full Text Available in the pure LCP; in the nanocomposites, the polymer chains tended to orient in the direction of the dispersed clay layers. According to the DSC results, during first heating, the first melting peak represents the crystalline to nematic transition and, after...

Spatially-resolved luminescence spectroscopy of CdSe quantum dots synthesized in ionic liquid crystal matrices

Energy Technology Data Exchange (ETDEWEB)

Magaryan, K.A., E-mail: xmagaros@gmail.com [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Mikhailov, M.A. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Karimullin, K.R. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Institute for Spectroscopy of RAS, 5 Fizicheskaya Str., Troitsk, Moscow 142190 (Russian Federation); E.K. Zavoyski Kazan Physical-Technical Institute of RAS, 10/7 Sibirski trakt Str., Kazan 420029 (Russian Federation); Knyazev, M.V.; Eremchev, I.Y. [Institute for Spectroscopy of RAS, 5 Fizicheskaya Str., Troitsk, Moscow 142190 (Russian Federation); Naumov, A.V. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Institute for Spectroscopy of RAS, 5 Fizicheskaya Str., Troitsk, Moscow 142190 (Russian Federation); Vasilieva, I.A. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Klimusheva, G.V. [Institute of Physics, NAS of Ukraine, 46 Prospect Nauki, Kiev 03028 (Ukraine)

2016-01-15

The paper is devoted to investigation of luminescence properties of new quantum dot (QD)-doped materials. We studied CdSe QDs (1.8 nm and 2.3 nm) grown inside of a liquid crystalline cadmium alcanoate matrix. Temperature dependence of parameters of fluorescence spectra obtained in a wide temperature range using epi-luminescence microscopy technique was analyzed. Spatially-resolved luminescence images were measured for the areas of the samples of 150×150 µm{sup 2}. Strong correlation between fluorescence spectra and sample structure was observed. - Highlights: • Glassy matrix with CdSe quantum dots inside fabricated in liquid crystalline mesophase. • Study of luminescence properties in a wide range of low temperatures. • Strong dependence of the luminescence spectra on spatial inhomogeneities. • Spatially-resolved luminescence imaging of quantum dots in liquid crystalline matrix.

Spatially-resolved luminescence spectroscopy of CdSe quantum dots synthesized in ionic liquid crystal matrices

International Nuclear Information System (INIS)

Magaryan, K.A.; Mikhailov, M.A.; Karimullin, K.R.; Knyazev, M.V.; Eremchev, I.Y.; Naumov, A.V.; Vasilieva, I.A.; Klimusheva, G.V.

2016-01-01

The paper is devoted to investigation of luminescence properties of new quantum dot (QD)-doped materials. We studied CdSe QDs (1.8 nm and 2.3 nm) grown inside of a liquid crystalline cadmium alcanoate matrix. Temperature dependence of parameters of fluorescence spectra obtained in a wide temperature range using epi-luminescence microscopy technique was analyzed. Spatially-resolved luminescence images were measured for the areas of the samples of 150×150 µm 2 . Strong correlation between fluorescence spectra and sample structure was observed. - Highlights: • Glassy matrix with CdSe quantum dots inside fabricated in liquid crystalline mesophase. • Study of luminescence properties in a wide range of low temperatures. • Strong dependence of the luminescence spectra on spatial inhomogeneities. • Spatially-resolved luminescence imaging of quantum dots in liquid crystalline matrix.

Light scattering from crystals, glasses and liquids

International Nuclear Information System (INIS)

Subbaswamy, K.R.

1984-09-01

The theory of inelastic light scattering from a model system in the crystalline, disordered and liquid phases is analyzed. The roles of disorder induced first order scattering and second order scattering are clarified in the context of the classical liquid. The correlation functions appropriate for the various contributions are identified and useful ways of processing experimental data are pointed out. (author)

Laser Spectroscopic Analysis of Liquid Water Samples for Stable Hydrogen and Oxygen Isotopes

International Nuclear Information System (INIS)

2009-01-01

Stable isotope ratios of hydrogen and oxygen are tracers of choice for water cycle processes in hydrological, atmospheric and ecological studies. The use of isotopes has been limited to some extent because of the relatively high cost of isotope ratio mass spectrometers and the need for specialized operational skills. Here, the results of performance testing of a recently developed laser spectroscopic instrument for measuring stable hydrogen and oxygen isotope ratios of water samples are described, along with a procedure for instrument installation and operation. Over the last four years, the IAEA Water Resources Programme conducted prototype and production model testing of these instruments and this publication is the outcome of those efforts. One of the main missions of the IAEA is to promote the use of peaceful applications of isotope and nuclear methods in Member States and this publication is intended to facilitate the use of laser absorption based instruments for hydrogen and oxygen stable isotope analyses of liquid water samples for hydrological and other studies. The instrument uses off-axis integrated cavity output spectroscopy to measure absolute abundances of 2 HHO, HH 18 O, and HHO via laser absorption. Test results using a number of natural and synthetic water standards and samples with a large range of isotope values demonstrate adequate precision and accuracy (e.g. precisions of 1 per mille for δ 2 H and 0.2 per mille for δ 18 O). The laser instrument has much lower initial and maintenance costs than mass spectrometers and is substantially easier to operate. Thus, these instruments have the potential to bring about a paradigm shift in isotope applications by enabling researchers in all fields to measure isotope ratios by themselves. The appendix contains a detailed procedure for the installation and operation of the instrument. Using the procedure, new users should be able to install the instrument in less than two hours. It also provides step

Ionic Liquid Crystals: Versatile Materials.

Science.gov (United States)

Goossens, Karel; Lava, Kathleen; Bielawski, Christopher W; Binnemans, Koen

2016-04-27

This Review covers the recent developments (2005-2015) in the design, synthesis, characterization, and application of thermotropic ionic liquid crystals. It was designed to give a comprehensive overview of the "state-of-the-art" in the field. The discussion is focused on low molar mass and dendrimeric thermotropic ionic mesogens, as well as selected metal-containing compounds (metallomesogens), but some references to polymeric and/or lyotropic ionic liquid crystals and particularly to ionic liquids will also be provided. Although zwitterionic and mesoionic mesogens are also treated to some extent, emphasis will be directed toward liquid-crystalline materials consisting of organic cations and organic/inorganic anions that are not covalently bound but interact via electrostatic and other noncovalent interactions.

Recoil halogen reactions in liquid and frozen aqueous solutions of biomolecules

International Nuclear Information System (INIS)

Arsenault, L.J.; Blotcky, A.J.; Firouzbakht, M.L.; Rack, E.P.; Nebraska Univ., Omaha

1982-01-01

Reactions of recoil 38 Cl, 80 Br and 128 I have been studied in crystalline systems of 5-halouracil, 5-halo-2'-deoxyuridine and 5-halouridine as well as liquid and frozen aqueous solutions of these halogenated biomolecules. In all systems expect crystalline 5-iuodouracil the major product was the radio-labelled halide ion. There was no evidence for other halogen inorganic species. The major labelled organic product was the parent molecule. A recoil atom tracer technique was developed to acquire site information of the biomolecule solutes in the liquid and frozen aqueous systems. For all liquid and frozen aqueous systems, the halogenated biomolecules tended to aggregate. For liquid systems, the tendency for aggregation diminished as the solute concentration approached zero, where the probable state of the solute approached a monomolecular dispersion. Unlike the liquid state, the frozen ice lattice demonstated a ''caging effect'' for the solute aggregates which resulted in constant product yields over the whole concentration range. (orig.)

Green technological approach to synthesis hydrophobic stable crystalline calcite particles with one-pot synthesis for oil-water separation during oil spill cleanup.

Science.gov (United States)

Wu, Min-Nan; Maity, Jyoti Prakash; Bundschuh, Jochen; Li, Che-Feng; Lee, Chin-Rong; Hsu, Chun-Mei; Lee, Wen-Chien; Huang, Chung-Ho; Chen, Chien-Yen

2017-10-15

The process of separating oil and water from oil/water mixtures is an attractive strategy to answer the menace caused by industrial oil spills and oily wastewater. In addition, water coproduced during hydrocarbon exploitation, which can be an economic burden and risk for freshwater resources, can become an important freshwater source after suitable water-oil separation. For oil-water separation purposes, considerable attention has been paid to the preparation of hydrophobic-oleophilic materials with modified surface roughness. However, due to issues of thermodynamic instability, costly and complex methods as well as lack of ecofriendly compounds, most of hydrophobic surface modified particles are of limited practical application. The study presents a facile procedure, to synthesize crystalline particles of calcite, which is the most stable polymorph of CaCO 3 from industrial CaCO 3 using oleic acid as an additive in a one-pot synthesis method. The XRD results show that the synthesized particles were a well-crystallized form of calcite. The FTIR results reflect the appearance of the alkyl groups from the oleic acid in synthesized particles which promotes the production of calcite with 'rice shape' (1.64 μm) (aggregated by spherical nanoparticle of 19.56 nm) morphology with concomitant changes in its surface wettability from hydrophilic to hydrophobic. The synthesized particles exhibited near to super hydrophobicity with ∼99% active ratio and a contact angle of 143.8°. The synthesized hydrophobic calcite particles had an oleophilic nature where waste diesel oil adsorption capacity of synthesized calcium carbonate (HCF) showed a very high (>99%) and fast (7 s) oil removal from oil-water mixture. The functional group of long alkyl chain including of CO bounds may play critical roles for adsorption of diesel oils. Moreover, the thermodynamically stable crystalline polymorph calcite (compared to vaterite) exhibited excellent recyclability. The isothermal study

Development of cellulase-nanoconjugates with enhanced ionic liquid and thermal stability for in situ lignocellulose saccharification.

Science.gov (United States)

Grewal, Jasneet; Ahmad, Razi; Khare, S K

2017-10-01

The present work aimed to improve catalytic efficiency of Trichoderma reesei cellulase for enhanced saccharification. The cellulase was immobilized on two nanomatrices i.e. magnetic and silica nanoparticles with immobilization efficiency of 85% and 76% respectively. The nanobioconjugates exhibited increase in V max , temperature optimum, pH and thermal stability as compared with free enzyme. These could be efficiently reused for five repeated cycles and were stable in 1-ethyl-3-methylimidazoliumacetate [EMIM][Ac], an ionic liquid. Ionic liquids (IL) are used as green solvents to dissolve lignocellulosic biomass and facilitate better saccharification. The cellulase immobilized on magnetic nanoparticles was used for in situ saccharification of [EMIM][Ac] pretreated sugarcane bagasse and wheat straw for two cycles. The structural deconstruction and decrease in biomass crystallinity was confirmed by SEM, XRD and FTIR. The high hydrolysis yields (∼89%) obtained in this one-pot process coupled with IL stability and recycled use of immobilized cellulase, potentiates its usefulness in biorefineries. Copyright © 2017 Elsevier Ltd. All rights reserved.

Photodynamic therapy using upconversion nanoparticles prepared by laser ablation in liquid

Energy Technology Data Exchange (ETDEWEB)

Ikehata, Tomohiro; Onodera, Yuji; Nunokawa, Takashi [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8502 (Japan); Hirano, Tomohisa; Ogura, Shun-ichiro; Kamachi, Toshiaki [Graduate School of Bioscience and Biotechnology, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8502 (Japan); Odawara, Osamu [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8502 (Japan); Wada, Hiroyuki, E-mail: wada.h.ac@m.titech.ac.jp [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8502 (Japan)

2015-09-01

Highlights: • Highly crystalline upconversion nanoparticles were prepared by laser ablation in liquid. • Highly transparent near-IR irradiation generated singlet oxygen. • Viability of cancer cells was significantly decreased by near-IR irradiation. - Abstract: Upconversion nanoparticles were prepared by laser ablation in liquid, and the potential use of the nanoparticles for cancer treatment was investigated. A Nd:YAG/SHG laser (532 nm, 13 ns, 10 Hz) was used for ablation, and the cancer treatment studied was photodynamic therapy (PDT). Morphology and crystallinity of prepared nanoparticles were examined by transmission electron microscopy and X-ray diffraction. Red and green emissions resulting from near-infrared excitation were observed by a fluorescence spectrophotometer. Generation of singlet oxygen was confirmed by a photochemical method using 1,3-diphenylisobenzofuran (DPBF). In vitro experiments using cultivated cancer cells were conducted to investigate PDT effects. Uptake of the photosensitizer by cancer cells and cytotoxicities of cancer cells were also examined. We conclude that the combination of PDT and highly crystalline nanoparticles, which were prepared by laser ablation in liquid, is an effective cancer treatment.

Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations

International Nuclear Information System (INIS)

Pietrucci, Fabio; Martoňák, Roman

2015-01-01

Systematically resolving different crystalline phases starting from the atomic positions, a mandatory step in algorithms for the prediction of structures or for the simulation of phase transitions, can be a non-trivial task. Extending to amorphous phases and liquids which lack the discrete symmetries, the problem becomes even more difficult, involving subtle topological differences at medium range that, however, are crucial to the physico-chemical and spectroscopic properties of the corresponding materials. Typically, system-tailored order parameters are devised, like global or local symmetry indicators, ring populations, etc. We show that a recently introduced metric provides a simple and general solution to this intricate problem. In particular, we demonstrate that a map can be traced displaying distances among water phases, including crystalline as well as amorphous states and the liquid, consistently with experimental knowledge in terms of phase diagram, structural features, and preparation routes

Modelling charge transport of discotic liquid-crystalline triindoles: the role of peripheral substitution.

Science.gov (United States)

Volpi, Riccardo; Camilo, Ana Claudia Santos; Filho, Demetrio A da Silva; Navarrete, Juan T López; Gómez-Lor, Berta; Delgado, M Carmen Ruiz; Linares, Mathieu

2017-09-13

We have performed a multiscale approach to study the influence of peripheral substitution in the semiconducting properties of discotic liquid-crystalline triindoles. Charge carrier mobility as high as 1.4 cm 2 V -1 s -1 was experimentally reported for triindoles substituted with alkynyl chains on the periphery (Gómez-Lor et al. Angew. Chem., Int. Ed., 2011, 50, 7399-7402). In this work, our goal is to get a deeper understanding of both the molecular electronic structure and microscopic factors affecting the charge transport properties in triindoles as a function of the spacer group connecting the central cores with the external alkyl chains (i.e., alkyne or phenyl spacers groups). To this end, we first perform Quantum Mechanical (QM) calculations to assess how the peripheral substitution affects the electronic structure and the internal reorganization energy. Secondly, boxes of stacked molecules were built and relaxed through molecular dynamics to obtain realistic structures. Conformational analysis and calculations of transfer integrals for closed neighbours were performed. Our results show that the insertion of ethynyl spacers between the central aromatic core and the flexible peripheral chains results in lower reorganization energies and enhanced intermolecular order within the stacks with a preferred cofacial 60° staggered conformation, which would result in high charge-carrier mobilities in good agreement with the experimental data. This work allows a deeper understanding of charge carrier mobility in columnar phases, linking the structural order at the molecular level to the property of interest, i.e. the charge carrier mobility. We hope that this understanding will improve the design of systems at the supramolecular level aiming at obtaining a more defined conducting channel, higher mobility and smaller fluctuations within the column.

UV durable colour pigment doped SmA liquid crystal composites for outdoor trans-reflective bi-stable displays

Science.gov (United States)

Xu, H.; Davey, A. B.; Crossland, W. A.; Chu, D. P.

2012-10-01

High brightness trans-reflective bi-stable displays based on smectic A (SmA) liquid crystals (LCs) can have nearly perfect transparency in the clear state and very high reflection in the scattered state. Because the LC material in use is stable under UV radiation, this kind of displays can stand for strong day-light and therefore be ideal for outdoor applications from e-books to public signage and advertisement. However, the colour application has been limited because the traditional colourants in use are conventional dyes which are lack of UV stability and that their colours are easily photo bleached. Here we present a colour SmA display demonstrator using pigments as colourant. Mixing pigments with SmA LCs and maintain the desirable optical switching performance is not straightforward. We show here how it can be done, including how to obtain fine sized pigment nano-particles, the effects of particle size and size distribution on the display performance. Our optimized pigments/SmA compositions can be driven by a low frequency waveform (~101Hz) to a scattered state to exhibit colour while by a high frequency waveform (~103Hz) to a cleared state showing no colour. Finally, we will present its excellent UV life-time (at least <7.2 years) in comparison with that of dye composition (~2.4 years). The complex interaction of pigment nano-particles with LC molecules and the resulting effects on the LC electro-optical performances are still to be fully understood. We hope this work will not only demonstrate a new and practical approach for outdoor reflective colour displays but also provide a new material system for fundamental liquid crystal colloid research work.

Frustrated smectic liquid crystalline phases in lactic acid derivatives

Czech Academy of Sciences Publication Activity Database

Glogarová, Milada; Novotná, Vladimíra

2016-01-01

Roč. 89, č. 7-8 (2016), s. 829-839 ISSN 0141-1594 R&D Projects: GA ČR GA15-02843S Institutional support: RVO:68378271 Keywords : field * liquid crystals * TGB phases Subject RIV: JJ - Other Materials Impact factor: 1.060, year: 2016

Evolution of short range order in Ar: Liquid to glass and solid transitions-A computational study

Science.gov (United States)

Shor, Stanislav; Yahel, Eyal; Makov, Guy

2018-04-01

The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model liquid with Ar parameters was determined and juxtaposed with thermodynamic and kinetic properties obtained as the liquid was cooled (heated) and transformed between crystalline solid or glassy states and an undercooled liquid. The Lennard-Jones system was studied by non-equilibrium molecular dynamics simulations of large supercells (approximately 20000 atoms) rapidly cooled or heated at selected quenching rates and at constant pressure. The liquid to solid transition was identified by discontinuities in the atomic volume and molar enthalpy; the glass transition temperature range was identified from the temperature dependence of the self-diffusion. The SRO was studied within the quasi-crystalline model (QCM) framework and compared with the Steinhardt bond order parameters. Within the QCM it was found that the SRO evolves from a bcc-like order in the liquid through a bct-like short range order (c/a=1.2) in the supercooled liquid which persists into the glass and finally to a fcc-like ordering in the crystalline solid. The variation of the SRO that results from the QCM compares well with that obtained with Steinhardt's bond order parameters. The hypothesis of icosahedral order in liquids and glasses is not supported by our results.

Structural and Functional Consequences of Chaperone Site Deletion in αA-Crystallin

Science.gov (United States)

Santhoshkumar, Puttur; Karmakar, Srabani; Sharma, Krishna K.

2016-01-01

The chaperone-like activity of αA-crystallin has an important role in maintaining lens transparency. Previously we identified residues 70–88 as a chaperone site in αA-crystallin. In this study, we deleted the chaperone site residues to generate αAΔ70–76 and αAΔ70–88 mutants and investigated if there are additional substrate-binding sites in αA-crystallin. Both mutant proteins when expressed in E. coli formed inclusion bodies, and on solubilizing and refolding, they exhibited similar structural properties, with a 2- to 3-fold increase in molar mass compared to the molar mass of wild-type protein. The deletion mutants were less stable than the wild-type αA-crystallin. Functionally αAΔ70–88 was completely inactive as a chaperone, while αAΔ70–76 demonstrated a 40–50% reduction in anti-aggregation activity against alcohol dehydrogenase (ADH). Deletion of residues 70–88 abolished the ADH binding sites in αA-crystallin at physiological temperature. At 45 °C, cryptic ADH binding site(s) became exposed, which contributed subtly to the chaperone-like activity of αAΔ70–88. Both of the deletion mutants were completely inactive in suppressing aggregation of βL-crystallin at 53 °C. The mutants completely lost the anti-apoptotic property that αA-crystallin exhibits while they protected ARPE-19 (a human retinal pigment epithelial cell line) and primary human lens epithelial (HLE) cells from oxidative stress. Our studies demonstrate that residues 70–88 in αA-crystallin act as a primary substrate binding site and account for the bulk of the total chaperone activity. The β3 and β4 strands in αA-crystallin comprising 70–88 residues play an important role in maintenance of the structure and in preventing aggregation of denaturing proteins. PMID:27524665

Method of processing radioactive liquid waste

International Nuclear Information System (INIS)

Hasegawa, Akira; Kuribayashi, Hiroshi; Soda, Kenzo; Mihara, Shigeru.

1988-01-01

Purpose: To obtain satisfactory plastic solidification products rapidly and smoothly by adding oxidizers to radioactive liquid wastes. Method: Sulfuric acid, etc. are added to radioactive liquid wastes to adjust the pH value of the liquid wastes to less than 3.0. Then, ferrous sulfates are added such that the iron concentration in the liquid wastes is 100 mg/l. Then, after adjusting pH suitably to the drying powderization by adding alkali such as hydroxide, the liquid wastes are dried and powderized. The resultant powder is subjected to plastic solidification by using polymerizable liquid unsaturated polyester resins as the solidifying agent. The thus obtained solidification products are stable in view of the physical property such as strength or water proofness, as well as stable operation is possible even for those radioactive liquid wastes in which the content ingredients are unknown. (Takahashi, M.)

Controlling growth density and patterning of single crystalline silicon nanowires

International Nuclear Information System (INIS)

Chang, Tung-Hao; Chang, Yu-Cheng; Liu, Fu-Ken; Chu, Tieh-Chi

2010-01-01

This study examines the usage of well-patterned Au nanoparticles (NPs) as a catalyst for one-dimensional growth of single crystalline Si nanowires (NWs) through the vapor-liquid-solid (VLS) mechanism. The study reports the fabrication of monolayer Au NPs through the self-assembly of Au NPs on a 3-aminopropyltrimethoxysilane (APTMS)-modified silicon substrate. Results indicate that the spin coating time of Au NPs plays a crucial role in determining the density of Au NPs on the surface of the silicon substrate and the later catalysis growth of Si NWs. The experiments in this study employed optical lithography to pattern Au NPs, treating them as a catalyst for Si NW growth. The patterned Si NW structures easily produced and controlled Si NW density. This approach may be useful for further studies on single crystalline Si NW-based nanodevices and their properties.

Exfoliation in ecstasy: liquid crystal formation and concentration-dependent debundling observed for single-wall nanotubes dispersed in the liquid drug γ-butyrolactone

Science.gov (United States)

Bergin, Shane D.; Nicolosi, Valeria; Giordani, Silvia; de Gromard, Antoine; Carpenter, Leslie; Blau, Werner J.; Coleman, Jonathan N.

2007-11-01

Large-scale debundling of single-walled nanotubes has been demonstrated by dilution of nanotube dispersions in the solvent γ-butyrolactone. This liquid, sometimes referred to as 'liquid ecstasy', is well known for its narcotic properties. At high concentrations the dispersions form an anisotropic, liquid crystalline phase which can be removed by mild centrifugation. At lower concentrations an isotropic phase is observed with a biphasic region at intermediate concentrations. By measuring the absorbance before and after centrifugation, as a function of concentration, the relative anisotropic and isotropic nanotube concentrations can be monitored. The upper limit of the pure isotropic phase was CNT~0.004 mg ml-1, suggesting that this can be considered the nanotube dispersion limit in γ-butyrolactone. After centrifugation, the dispersions are stable against sedimentation and further aggregation for a period of 8 weeks at least. Atomic-force-microscopy studies on films deposited from the isotropic phase reveal that the bundle diameter distribution decreases dramatically as concentration is decreased. Detailed data analysis suggests the presence of an equilibrium bundle number density. A population of individual nanotubes is always observed which increases with decreasing concentration until almost 40% of all dispersed objects are individual nanotubes at a concentration of 6 × 10-4 mg ml-1. The number density of individual nanotubes peaks at a concentration of ~6 × 10-3 mg ml-1 where almost 10% of the nanotubes by mass are individualized.

Exfoliation in ecstasy: liquid crystal formation and concentration-dependent debundling observed for single-wall nanotubes dispersed in the liquid drug {gamma}-butyrolactone

Energy Technology Data Exchange (ETDEWEB)

Bergin, Shane D [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland); Nicolosi, Valeria [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland); Giordani, Silvia [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland); Gromard, Antoine de [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland); Carpenter, Leslie [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland); Blau, Werner J [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland); Coleman, Jonathan N [School of Physics, Trinity College Dublin, University of Dublin, Dublin 2 (Ireland)

2007-11-14

Large-scale debundling of single-walled nanotubes has been demonstrated by dilution of nanotube dispersions in the solvent {gamma}-butyrolactone. This liquid, sometimes referred to as 'liquid ecstasy', is well known for its narcotic properties. At high concentrations the dispersions form an anisotropic, liquid crystalline phase which can be removed by mild centrifugation. At lower concentrations an isotropic phase is observed with a biphasic region at intermediate concentrations. By measuring the absorbance before and after centrifugation, as a function of concentration, the relative anisotropic and isotropic nanotube concentrations can be monitored. The upper limit of the pure isotropic phase was C{sub NT}{approx}0.004 mg ml{sup -1}, suggesting that this can be considered the nanotube dispersion limit in {gamma}-butyrolactone. After centrifugation, the dispersions are stable against sedimentation and further aggregation for a period of 8 weeks at least. Atomic-force-microscopy studies on films deposited from the isotropic phase reveal that the bundle diameter distribution decreases dramatically as concentration is decreased. Detailed data analysis suggests the presence of an equilibrium bundle number density. A population of individual nanotubes is always observed which increases with decreasing concentration until almost 40% of all dispersed objects are individual nanotubes at a concentration of 6 x 10{sup -4} mg ml{sup -1}. The number density of individual nanotubes peaks at a concentration of {approx}6 x 10{sup -3} mg ml{sup -1} where almost 10% of the nanotubes by mass are individualized.

Exfoliation in ecstasy: liquid crystal formation and concentration-dependent debundling observed for single-wall nanotubes dispersed in the liquid drug γ-butyrolactone

International Nuclear Information System (INIS)

Bergin, Shane D; Nicolosi, Valeria; Giordani, Silvia; Gromard, Antoine de; Carpenter, Leslie; Blau, Werner J; Coleman, Jonathan N

2007-01-01

Large-scale debundling of single-walled nanotubes has been demonstrated by dilution of nanotube dispersions in the solvent γ-butyrolactone. This liquid, sometimes referred to as 'liquid ecstasy', is well known for its narcotic properties. At high concentrations the dispersions form an anisotropic, liquid crystalline phase which can be removed by mild centrifugation. At lower concentrations an isotropic phase is observed with a biphasic region at intermediate concentrations. By measuring the absorbance before and after centrifugation, as a function of concentration, the relative anisotropic and isotropic nanotube concentrations can be monitored. The upper limit of the pure isotropic phase was C NT ∼0.004 mg ml -1 , suggesting that this can be considered the nanotube dispersion limit in γ-butyrolactone. After centrifugation, the dispersions are stable against sedimentation and further aggregation for a period of 8 weeks at least. Atomic-force-microscopy studies on films deposited from the isotropic phase reveal that the bundle diameter distribution decreases dramatically as concentration is decreased. Detailed data analysis suggests the presence of an equilibrium bundle number density. A population of individual nanotubes is always observed which increases with decreasing concentration until almost 40% of all dispersed objects are individual nanotubes at a concentration of 6 x 10 -4 mg ml -1 . The number density of individual nanotubes peaks at a concentration of ∼6 x 10 -3 mg ml -1 where almost 10% of the nanotubes by mass are individualized

[Crystalline lens photodisruption using femtosecond laser: experimental study].

Science.gov (United States)

Chatoux, O; Touboul, D; Buestel, C; Balcou, P; Colin, J

2010-09-01

The aim of this study was to analyze the interactions during femtosecond (fs) laser photodisruption in ex vivo porcine crystalline lenses and to study the parameters for laser interaction optimization. An experimental femtosecond laser was used. The laser characteristics were: 1030 nm wavelength; pulse duration, 400 fs; and numerical aperture, 0.13. Specific software was created to custom and monitor any type of photoablation pattern for treatment purposes. Porcine crystalline lenses were placed in an open sky holder filled with physiological liquid (BSS) covered by a glass plate. A numerical camera was associated with metrological software in order to magnify and quantify the results. Transmission electron microscopy (TEM) was performed on some samples to identify the microscopic plasma interactions with the lens. The optimization of parameters was investigated in terms of the optical breakdown threshold, the sizing of interactions, and the best pattern for alignments. More than 150 crystalline lenses of freshly enucleated pigs were treated. The optical breakdown threshold (OBT) was defined as the minimal energy level per pulse necessary to observe a physical interaction. In our study, the OBT varied according to the following parameters: the crystalline lens itself, varying from 4.2 to 7.6 μJ (mean, 5.1 μJ), and the depth of laser focus, varying up to 1 μJ, increasing in the depth of the tissue. Analyzing the distance between impacts, we observed that the closer the impacts were the less power was needed to create a clear well-drawn defect pattern (lines), i.e., with a 4-μJ optimized OBT, when the impacts were placed every 2 μm for the x,y directions and 60 μm for the z direction. Coalescent bubbles created by plasma formation always disappeared in less than 24h. The nonthermal effect of plasma and the innocuousness on surrounding tissues were proven by the TEM results. The crystalline lens photodisruption by the femtosecond laser seems an innovative

Ionic liquid-assisted sonochemical synthesis of SnS nanostructures

Energy Technology Data Exchange (ETDEWEB)

García-Gómez, Nora A.; Parra-Arcieniega, Salomé M. de la; Garza-Tovar, Lorena L.; Torres-González, Luis C.; Sánchez, Eduardo M., E-mail: eduardo.sanchezcv@uanl.edu.mx

2014-03-05

Highlight: • Obtention of SnS nanostructures using novel ionic liquid assisted sonochemical method. • Influence of the (BMImBF{sub 4}) ionic liquid in SnS morphology. • Inhibitory effect in SnS crystallinity by structuring agents in ionic environments. -- Abstract: SnS nanoparticles have been successfully synthesized by the ionic liquid-assisted sonochemical method (ILASM). The starting reagents were anhydrous SnCl{sub 2}, thioacetamide, dissolved in ethanol and ionic liquid (IL)1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF{sub 4}) mixtures. Our experiments showed that IL plays an important role in the morphology of SnS. A 1:1 ethanol:IL mixture was found to yield the more interesting features. The lower concentration of Sn (II) in solution favored the presence of nanoplatelets. An increase in ultrasonic time favored crystalline degree and size as well. Also, the effect of additives as 3-mercaptopropionic acid, diethanolamine, ethylene glycol, and trioctyl phosphine oxide is reported. X-ray diffraction (XRD) and ultraviolet–visible diffuse reflectance spectroscopy (UV–Vis-DRS) were used to characterize the obtained products.

Numerical evidence of liquid crystalline mesophases of a lollipop shaped model in two dimensions

Science.gov (United States)

Pérez-Lemus, G. R.; Armas-Pérez, J. C.; Chapela, G. A.; Quintana-H., J.

2017-12-01

Small alterations in the molecular details may produce noticeable changes in the symmetry of the resulting phase behavior. It is possible to produce morphologies having different n-fold symmetries by manipulating molecular features such as chirality, polarity or anisotropy. In this paper, a two dimensional hard molecular model is introduced to study the formation of liquid crystalline phases in low dimensionality. The model is similar to that reported by Julio C. Armas-Pérez and Jacqueline Quintana-H., Phys. Rev. E 83, 051709 (2011). The main difference is the lack of chirality in the model proposed, although they share some characteristics like the geometrical polarity. Our model is called a lollipop model, because its shape is constructed by a rounded section attached to the end of a stick. Contrary to what happens in three dimensions where chiral nematogens produce interesting and complex phases such as blue phases, the lack of molecular chirality of our model generates a richer phase diagram compared to the chiral system. We show numerical and some geometrical evidences that the lack of laterality of the non chiral model seems to provide more routes of molecular self-assembly, producing triatic, a random cluster and possibly a tetratic phase behavior which were not presented in the previous work. We support our conclusions using results obtained from isobaric and isochoric Monte Carlo simulations. Properties as the n-fold order parameters such as the nematic, tetratic and triatic as well as their correlation functions were used to characterize the phases. We also provide the Fourier transform of equilibrium configurations to analyze the n-fold symmetry characteristic of each phase.

Thermal and Chemical Stability of Crystalline Silicotitanate Sorbent

International Nuclear Information System (INIS)

Taylor, P.A.; Mattus, C.H.

1999-01-01

The Savannah River Site (SRS) is evaluating technologies for removing cesium-137 (137Cs) from the supemate solutions stored in the high-level waste tanks at the site. Crystalline silicotitanate sorbent (IONSIV IE-9 1 lo, UOP Molecular Sieves; Mount Laurel, NJ) is very effective for removing cesium from high-salt solution, such as the SRS supemates, and is currently being used at Oak Ridge National Laboratory to remove radioactive cesium from similar solutions, Because of the extremely high loading of 137Cs that would be expected for the large columns of crystalline silicotitanate (CST) that would be used for treating the SRS supemate, any loss of flow or cooling to the columns could result in high temperatures within the column from radiolytic heating. The ability of CST to retain previously loaded cesium while in contact with SRS tank supemates at various temperatures was determined by performing bench scale simulant tests using CST samples that were loaded with stable cesium and radi oactive cesium tracer. These results were compared with those obtained from loading tests at the same temperatures

In situ surface and interface study of crystalline (3×1)-O on InAs

Energy Technology Data Exchange (ETDEWEB)

Qin, Xiaoye, E-mail: xxq102020@utdallas.edu; Wallace, Robert M., E-mail: rmwallace@utdallas.edu [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States); Wang, Wei-E.; Rodder, Mark S. [Advanced Logic Lab, Samsung Semiconductor, Inc., Austin, Texas 78754 (United States)

2016-07-25

The oxidation behavior of de-capped InAs (100) exposed to O{sub 2} gas at different temperatures is investigated in situ with high resolution of monochromatic x-ray photoelectron spectroscopy and low energy electron diffraction. The oxide chemical states and structure change dramatically with the substrate temperature. A (3 × 1) crystalline oxide layer on InAs is generated in a temperature range of 290–330 °C with a coexistence of In{sub 2}O and As{sub 2}O{sub 3}. The stability of the crystalline oxide upon the atomic layer deposition (ALD) of HfO{sub 2} is studied as well. It is found that the generated (3 × 1) crystalline oxide is stable upon ALD HfO{sub 2} growth at 100 °C.

Synthesis of Programmable Main-chain Liquid-crystalline Elastomers Using a Two-stage Thiol-acrylate Reaction.

Science.gov (United States)

Saed, Mohand O; Torbati, Amir H; Nair, Devatha P; Yakacki, Christopher M

2016-01-19

This study presents a novel two-stage thiol-acrylate Michael addition-photopolymerization (TAMAP) reaction to prepare main-chain liquid-crystalline elastomers (LCEs) with facile control over network structure and programming of an aligned monodomain. Tailored LCE networks were synthesized using routine mixing of commercially available starting materials and pouring monomer solutions into molds to cure. An initial polydomain LCE network is formed via a self-limiting thiol-acrylate Michael-addition reaction. Strain-to-failure and glass transition behavior were investigated as a function of crosslinking monomer, pentaerythritol tetrakis(3-mercaptopropionate) (PETMP). An example non-stoichiometric system of 15 mol% PETMP thiol groups and an excess of 15 mol% acrylate groups was used to demonstrate the robust nature of the material. The LCE formed an aligned and transparent monodomain when stretched, with a maximum failure strain over 600%. Stretched LCE samples were able to demonstrate both stress-driven thermal actuation when held under a constant bias stress or the shape-memory effect when stretched and unloaded. A permanently programmed monodomain was achieved via a second-stage photopolymerization reaction of the excess acrylate groups when the sample was in the stretched state. LCE samples were photo-cured and programmed at 100%, 200%, 300%, and 400% strain, with all samples demonstrating over 90% shape fixity when unloaded. The magnitude of total stress-free actuation increased from 35% to 115% with increased programming strain. Overall, the two-stage TAMAP methodology is presented as a powerful tool to prepare main-chain LCE systems and explore structure-property-performance relationships in these fascinating stimuli-sensitive materials.

Liquid-liquid and liquid-solid phase separation and flocculation for a charged colloidal dispersion

International Nuclear Information System (INIS)

Lai, S.K.; Wu, K.L.

2002-01-01

We model the intercolloidal interaction by a hard-sphere Yukawa repulsion to which is added the long-range van der Waals attraction. In comparison with the Derjaguin-Landau-Verwey-Overbeek repulsion, the Yukawa repulsion explicitly incorporates the spatial correlations between colloids and small ions. As a result, the repulsive part can be expressed analytically and has a coupling strength depending on the colloidal volume fraction. By use of this two-body potential of mean force and in conjunction with a second-order thermodynamic perturbation theory, we construct the colloidal Helmholtz free energy and use it to calculate the thermodynamic quantities, pressure and chemical potential, needed in the determination of the liquid-liquid and liquid-solid phase diagrams. We examine, in an aqueous charged colloidal dispersion, the effects of the Hamaker constant and particle size on the conformation of a stable liquid-liquid phase transition calculated with respect to the liquid-solid coexistence phases. We find that there exists a threshold Hamaker constant or particle size whose value demarcates the stable liquid-liquid coexistence phases from their metastable counterparts. Applying the same technique and using the energetic criterion, we extend our calculations to study the flocculation phenomenon in aqueous charged colloids. Here, we pay due attention to determining the loci of a stability curve stipulated for a given temperature T 0 , and obtain the parametric phase diagram of the Hamaker constant vs the coupling strength or, at given surface potential, the particle size. By imposing T 0 to be the critical temperature T c , i.e., setting k B T 0 (=k B T c ) equal to a reasonable potential barrier, we arrive at the stability curve that marks the irreversible reversible phase transition. The interesting result is that there occurs a minimum size for the colloidal particles below (above) which the colloidal dispersion is driven to an irreversible (reversible) phase

Photoluminescence at room temperature of liquid-phase crystallized silicon on glass

Directory of Open Access Journals (Sweden)

Michael Vetter

2016-12-01

Full Text Available The room temperature photoluminescence (PL spectrum due band-to-band recombination in an only 8 μm thick liquid-phase crystallized silicon on glass solar cell absorber is measured over 3 orders of magnitude with a thin 400 μm thick optical fiber directly coupled to the spectrometer. High PL signal is achieved by the possibility to capture the PL spectrum very near to the silicon surface. The spectra measured within microcrystals of the absorber present the same features as spectra of crystalline silicon wafers without showing defect luminescence indicating the high electronic material quality of the liquid-phase multi-crystalline layer after hydrogen plasma treatment.

Nanoscale characteristics of triacylglycerol oils: phase separation and binding energies of two-component oils to crystalline nanoplatelets.

Science.gov (United States)

MacDougall, Colin J; Razul, M Shajahan; Papp-Szabo, Erzsebet; Peyronel, Fernanda; Hanna, Charles B; Marangoni, Alejandro G; Pink, David A

2012-01-01

Fats are elastoplastic materials with a defined yield stress and flow behavior and the plasticity of a fat is central to its functionality. This plasticity is given by a complex tribological interplay between a crystalline phase structured as crystalline nanoplatelets (CNPs) and nanoplatelet aggregates and the liquid oil phase. Oil can be trapped within microscopic pores within the fat crystal network by capillary action, but it is believed that a significant amount of oil can be trapped by adsorption onto crystalline surfaces. This, however, remains to be proven. Further, the structural basis for the solid-liquid interaction remains a mystery. In this work, we demonstrate that the triglyceride liquid structure plays a key role in oil binding and that this binding could potentially be modulated by judicious engineering of liquid triglyceride structure. The enhancement of oil binding is central to many current developments in this area since an improvement in the health characteristics of fat and fat-structured food products entails a reduction in the amount of crystalline triacylglycerols (TAGs) and a relative increase in the amount of liquid TAGs. Excessive amounts of unbound, free oil, will lead to losses in functionality of this important food component. Engineering fats for enhanced oil binding capacity is thus central to the design of more healthy food products. To begin to address this, we modelled the interaction of triacylglycerol oils, triolein (OOO), 1,2-olein elaidin (OOE) and 1,2-elaidin olein (EEO) with a model crystalline nanoplatelet composed of tristearin in an undefined polymorphic form. The surface of the CNP in contact with the oil was assumed to be planar. We considered pure OOO and mixtures of OOO + OOE and OOO + EEO with 80% OOO. The last two cases were taken as approximations to high oleic sunflower oil (HOSO). The intent was to investigate whether phase separation on a nanoscale took place. We defined an "oil binding capacity" parameter, B

Molecular origins of anisotropic shock propagation in crystalline and amorphous polyethylene

Science.gov (United States)

O'Connor, Thomas C.; Elder, Robert M.; Sliozberg, Yelena R.; Sirk, Timothy W.; Andzelm, Jan W.; Robbins, Mark O.

2018-03-01

Molecular dynamics simulations are used to analyze shock propagation in amorphous and crystalline polyethylene. Results for the shock velocity Us are compared to predictions from Pastine's equation of state and hydrostatic theory. The results agree with Pastine at high impact velocities. At low velocities the yield stress becomes important, increasing the shock velocity and leading to anisotropy in the crystalline response. Detailed analysis of changes in atomic order reveals the origin of the anisotropic response. For shock along the polymer backbone, an elastic front is followed by a plastic front where chains buckle with a characteristic wavelength. Shock perpendicular to the chain backbone can produce plastic deformation or transitions to different orthorhombic or monoclinic structures, depending on the impact speed and direction. Tensile loading does not produce stable shocks: Amorphous systems craze and fracture while for crystals the front broadens linearly with time.

Crystalline structure in the confined-deconfined mixed phase: Neutron stars as an example

International Nuclear Information System (INIS)

Glendenning, N.K.

1996-01-01

We review the differences in first order phase transition of single and multi-component systems, and then discuss the crystalline structure expected to exist in the mixed confined deconfined phase of hadronic matter. The particular context of neutron stars is chosen for illustration. The qualitative results are general and apply for example to the vapor-liquid transition in subsaturated asymmetric nuclear matter

Scintillating screens based on the single crystalline films of multicomponent garnets: new achievements and possibilities

Czech Academy of Sciences Publication Activity Database

Zorenko, Yu.; Gorbenko, V.; Zorenko, T.; Paprocki, K.; Nikl, Martin; Mareš, Jiří A.; Bilski, P.; Twardak, A.; Sidletskiy, O.; Gerasymov, I.; Grinyov, B.; Fedorov, A.

2016-01-01

Roč. 63, č. 2 (2016), s. 497-502 ISSN 0018-9499 R&D Projects: GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : Ce dopant * garnets * liquid phase epitaxy * luminescence * scintillators * single crystalline films Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.171, year: 2016

High-temperature synthesis of highly hydrothermal stable mesoporous silica and Fe-SiO2 using ionic liquid as a template

International Nuclear Information System (INIS)

Liu, Hong; Wang, Mengyang; Hu, Hongjiu; Liang, Yuguang; Wang, Yong; Cao, Weiran; Wang, Xiaohong

2011-01-01

Mesoporous silicas and Fe-SiO 2 with worm-like structures have been synthesized using a room temperature ionic liquid, 1-hexadecane-3-methylimidazolium bromide, as a template at a high aging temperature (150-190 o C) with the assistance of NaF. The hydrothermal stability of mesoporous silica was effectively improved by increasing the aging temperature and adding NaF to the synthesis gel. High hydrothermally stable mesoporous silica was obtained after being aged at 190 o C in the presence of NaF, which endured the hydrothermal treatment in boiling water at least for 10 d or steam treatment at 600 o C for 6 h. The ultra hydrothermal stability could be attributed to its high degree of polymerization of silicate. Furthermore, highly hydrothermal stable mesoporous Fe-SiO 2 has been synthesized, which still remained its mesostructure after being hydrothermally treated at 100 o C for 12 d or steam-treated at 600 o C for 6 h. -- Graphical abstract: Worm-like mesoporous silica and Fe-SiO 2 with high hydrothermal stability have been synthesized using ionic liquid 1-hexadecane-3-methylimidazolium bromide as a template under the assistance of NaF at high temperature. Display Omitted Research highlights: → Increasing aging temperature improved the hydrothermal stability of materials. →Addition of NaF enhanced the polymerization degree of silicates. → Mesoporous SiO 2 and Fe-SiO 2 obtained have remarkable hydrothermal stability.

Indomethacin nanocrystals prepared by different laboratory scale methods: effect on crystalline form and dissolution behavior

Energy Technology Data Exchange (ETDEWEB)

Martena, Valentina; Censi, Roberta [University of Camerino, School of Pharmacy (Italy); Hoti, Ela; Malaj, Ledjan [University of Tirana, Department of Pharmacy (Albania); Di Martino, Piera, E-mail: piera.dimartino@unicam.it [University of Camerino, School of Pharmacy (Italy)

2012-12-15

The objective of this study is to select very simple and well-known laboratory scale methods able to reduce particle size of indomethacin until the nanometric scale. The effect on the crystalline form and the dissolution behavior of the different samples was deliberately evaluated in absence of any surfactants as stabilizers. Nanocrystals of indomethacin (native crystals are in the {gamma} form) (IDM) were obtained by three laboratory scale methods: A (Batch A: crystallization by solvent evaporation in a nano-spray dryer), B (Batch B-15 and B-30: wet milling and lyophilization), and C (Batch C-20-N and C-40-N: Cryo-milling in the presence of liquid nitrogen). Nanocrystals obtained by the method A (Batch A) crystallized into a mixture of {alpha} and {gamma} polymorphic forms. IDM obtained by the two other methods remained in the {gamma} form and a different attitude to the crystallinity decrease were observed, with a more considerable decrease in crystalline degree for IDM milled for 40 min in the presence of liquid nitrogen. The intrinsic dissolution rate (IDR) revealed a higher dissolution rate for Batches A and C-40-N, due to the higher IDR of {alpha} form than {gamma} form for the Batch A, and the lower crystallinity degree for both the Batches A and C-40-N. These factors, as well as the decrease in particle size, influenced the IDM dissolution rate from the particle samples. Modifications in the solid physical state that may occur using different particle size reduction treatments have to be taken into consideration during the scale up and industrial development of new solid dosage forms.

Short range order in liquid pnictides

International Nuclear Information System (INIS)

Mayo, M; Makov, G; Yahel, E; Greenberg, Y

2013-01-01

Liquid pnictides have anomalous physical properties and complex radial distribution functions. The quasi-crystalline model of liquid structure is applied to interpret the three-dimensional structure of liquid pnictides. It is shown that all the column V elements can be characterized by a short range order lattice symmetry similar to that of the underlying solid, the A7 structure, which originates from a Peierls distorted simple cubic lattice. The evolution of the liquid structure down the column as well as its temperature and pressure dependence is interpreted by means of the effect of thermodynamic parameters on the Peierls distortion. Surprisingly, it is found that the Peierls effect increases with temperature and the nearest neighbour distances exhibit negative thermal expansion. (paper)

Enhanced bioavailability of nerve growth factor with phytantriol lipid-based crystalline nanoparticles in cochlea

Directory of Open Access Journals (Sweden)

Bu M

2015-11-01

Full Text Available Meng Bu,1,2 Jingling Tang,3 Yinghui Wei,4 Yanhui Sun,1 Xinyu Wang,1 Linhua Wu,2 Hongzhuo Liu1 1School of Pharmacy, Shenyang Pharmaceutical University, Shenyang, People’s Republic of China; 2Department of Pharmacy, the Second Affiliated Hospital, 3School of Pharmacy, Harbin Medical University, Harbin, People’s Republic of China; 4College of Pharmaceutical Science, Zhejiang Chinese Medical University, Hangzhou, People’s Republic of China Purpose: Supplementation of exogenous nerve growth factor (NGF into the cochlea of deafened animals rescues spiral ganglion cells from degeneration. However, a safe and potent delivery of therapeutic proteins, such as NGF, to spiral ganglion cells remains one of the greatest challenges. This study presents the development of self-assembled cubic lipid-based crystalline nanoparticles to enhance inner ear bioavailability of bioactive NGF via a round window membrane route.Methods: A novel nanocarrier-entrapped NGF was developed based on phytantriol by a liquid precursor dilution, with Pluronic® F127 and propylene glycol as the surfactant and solubilizer, respectively. Upon dilution of the liquid lipid precursors, monodispersed submicron-sized particles with a slight negative charge formed spontaneously.Results: Biological activity of entrapped NGF was assessed using pheochromocytoma cells with NGF-loaded reservoirs to induce significant neuronal outgrowth, similar to that seen in free NGF-treated controls. Finally, a 3.28-fold increase in inner ear bioavailability was observed after administration of phytantriol lipid-based crystalline nanoparticles as compared to free drug, contributing to an enhanced drug permeability of the round window membrane. Conclusion: Data presented here demonstrate the potential of lipid-based crystalline nanoparticles to improve the outcomes of patients bearing cochlear implants. Keywords: nerve growth factor, lipid-based crystalline nanoparticles, PC12 cells, inner ear drug

Applications of high resolution NMR to geochemistry: crystalline, glass, and molten silicates

International Nuclear Information System (INIS)

Schneider, E.

1985-11-01

The nuclear spin interactions and the associated quantum mechanical dynamics which are present in solid state NMR are introduced. A brief overview of aluminosilicate structure is presented and crystalline structure is then reviewed, with emphasis on the contributions made by 29 Si NMR spectroscopy. The local structure of glass aluminosilicates as observed by NMR, is presented with analysis of the information content of 29 Si spectra. A high-temperature (to 1300 0 C) NMR spectroscopic investigation of the local environment and dynamics of molecular motion in molten aluminosilicates is described. A comparison is made of silicate liquid, glass, and crystalline local structure. The atomic and molecular motions present in a melt are investigated through relaxation time (T 1 and T 2 ) measurements as a function of composition and temperature for 23 Na and 29 Si

Energy storage crystalline gel materials for 3D printing application

Science.gov (United States)

Mao, Yuchen; Miyazaki, Takuya; Gong, Jin; Zhu, Meifang

2017-04-01

Phase change materials (PCMs) are considered one of the most reliable latent heat storage and thermoregulation materials. In this paper, a vinyl monomer is used to provide energy storage capacity and synthesize gel with phase change property. The side chain of copolymer form crystal microcell to storage/release energy through phase change. The crosslinking structure of the copolymer can protect the crystalline micro-area maintaining the phase change stable in service and improving the mechanical strength. By selecting different monomers and adjusting their ratios, we design the chemical structure and the crystallinity of gels, which in further affect their properties, such as strength, flexibility, thermal absorb/release transition temperature, transparency and the water content. Using the light-induced polymerization 3D printing techniques, we synthesize the energy storage gel and shape it on a 3D printer at the same time. By optimizing the 3D printing conditions, including layer thickness, curing time and light source, etc., the 3D printing objects are obtained.

Effect of multilactate chiral part of liquid crystalline molecule on mesomorphic behaviour

Czech Academy of Sciences Publication Activity Database

Bubnov, Alexej M.; Novotná, Vladimíra; Hamplová, Věra; Kašpar, Miroslav; Glogarová, Milada

2008-01-01

Roč. 892, 1-3 (2008), 151-157 ISSN 0022-2860 R&D Projects: GA MŠk OC 175; GA AV ČR IAA100100710 Institutional research plan: CEZ:AV0Z10100520 Keywords : lactic acid derivative * liquid crystal * ferroelectric liquid crystal * antiferroelectric phase * hexatic phase * keto group * lactate group Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.594, year: 2008

Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy

Science.gov (United States)

Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.

1993-01-01

The heats of eutectic melting and devitrification, and the specific heats of the crystalline, glass, and liquid phases have been measured for a Ni24Zr76 alloy. The data are used to calculate the Gibbs free-energy difference, Delta G(AC), between the real glass and the crystal on an assumption that the liquid-glass transition is second order. The result shows that Delta G(AC) continuously increases as the temperature decreases in contrast to the ideal glass case where Delta G(AC) is assumed to be independent of temperature.

Recent Advances in Discotic Liquid Crystal-Assisted Nanoparticles

Directory of Open Access Journals (Sweden)

Ashwathanarayana Gowda

2018-03-01

Full Text Available This article primarily summarizes recent advancement in the field of discotic liquid crystal (DLC nanocomposites. Discotic liquid crystals are nanostructured materials, usually 2 to 6 nm size and have been recognized as organic semiconducting materials. Recently, it has been observed that the dispersion of small concentration of various functionalized zero-, one- and two-dimensional nanomaterials in the supramolecular order of mesophases of DLCs imparts negligible impact on liquid crystalline properties but enhances their thermal, supramolecular and electronic properties. Synthesis, characterization and dispersion of various nanoparticles in different discotics are presented.

Improving the thermal stability and electrical parameters of a liquid crystalline material 4-n-(nonyloxy) benzoic acid by using Li ion beam irradiation

Science.gov (United States)

Kumar, Satendra; Verma, Rohit; Dwivedi, Aanchal; Dhar, R.; Tripathi, Ambuj

2018-05-01

Li ion beam irradiation studies on a liquid crystalline material 4-n-(nonyloxy) benzoic acid (NOBA) have been carried out. The material has phase sequence of I-N-SmC-Cr. Thermodynamic studies demonstrate that an irradiation fluence of 1×1013 ions-cm-2 results in the increased thermal stability of the smectic C (SmC) phase of the material. Dielectric measurements illustrate that the transverse component of the dielectric permittivity and hence the dielectric anisotropy of the material in the nematic (N) and SmC phases are increased as compared to those of the pure material due to irradiation. UV-Visible spectrum of the irradiated material shows an additional peak along with the peak of the pure material. The observed change in the thermodynamic and electrical parameters is attributed to the conversion of some of the dimers of NOBA to monomers of NOBA due to irradiation.

Melting behavior of a model molecular crystalline GeI4

International Nuclear Information System (INIS)

Fuchizaki, Kazuhiro; Asano, Yuta

2015-01-01

A model molecular crystalline GeI 4 was examined using molecular dynamics simulation. The model was constructed in such a way that rigid tetrahedral molecules interact with each other via Lennard-Jones potentials whose centers are located at the vertices of a tetrahedron. Because no other interaction that can “soften” the intermolecular interaction was introduced, the melting curve of the model crystalline material does not exhibit the anomaly that was found for the real substance. However, the current investigation is useful in that it could settle the upper bound of pressure below which the model can predict properties of the molecular liquid. Moreover, singularity-free nature of the melting curve allowed us to analytically treat the melting curve in the light of the Kumari-Dass-Kechin equation. As a result, we could definitely conclude that the well-known Simon equation for the melting curve is merely an approximate expression. The condition for the validity of Simon’s equation was identified. (author)

Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk [Departments of Physics and Astronomy, University College London, Thomas Young Center, London Centre for Nanotechnology, London WC1E 6BT (United Kingdom); Cohen, R. E. [Extreme Materials Initiative, Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015 (United States); Department of Earth- and Environmental Sciences, Ludwig Maximilians Universität, Munich 80333 (Germany); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2016-08-14

We studied the low-pressure (0–10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P2{sub 1}/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P2{sub 1}/c phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.

Electrical transport in crystalline phase change materials

International Nuclear Information System (INIS)

Woda, Michael

2012-01-01

In this thesis, the electrical transport properties of crystalline phase change materials are discussed. Phase change materials (PCM) are a special class of semiconducting and metallic thin film alloys, typically with a high amount of the group five element antimony or the group six element tellurium, such as Ge 2 Sb 2 Te 5 . The unique property portfolio of this material class makes it suitable for memory applications. PCMs reveal fast switching between two stable room-temperature phases (amorphous and crystalline) realized by optical laser or electrical current pulses in memory devices. Additionally, a pronounced property contrast in form of optical reflectivity and electrical conductivity between the amorphous and crystalline phase is the characteristic fingerprint of PCMs. The emerging electrical solid state memory PCRAM is a very promising candidate to replace Flash memory in the near future or to even become a universal memory, which is non-volatile and shows the speed and cyclability of DRAM. One of the main technological challenges is the switching process into the amorphous state, which is the most power demanding step. In order to reduce the switching power, the crystalline resistivity needs to be increased at a given voltage. Thus understanding and tayloring of this property is mandatory. In this work, first the technological relevance, i.e. optical and electrical memory concepts based on PCMs are introduced. Subsequently a description of the physical properties of PCMs in four categories is given. Namely, structure, kinetics, optical properties and electrical properties are discussed. Then important recent developments such as the identification of resonant bonding in crystalline PCMs and a property predicting coordination scheme are briefly reviewed. The following chapter deals with the theoretical background of electrical transport, while the next chapter introduces the experimental techniques: Sputtering, XRR, XRD, DSC, thermal annealing

Anomalous behavior of B1g mode in highly transparent anatase nano-crystalline Nb-doped Titanium Dioxide (NTO thin films

Directory of Open Access Journals (Sweden)

Subodh K. Gautam

2015-12-01

Full Text Available The effect of Niobium doping and size of crystallites on highly transparent nano-crystalline Niobium doped Titanium Dioxide (NTO thin films with stable anatase phase are reported. The Nb doping concentration is varied within the solubility limit in TiO2 lattice. Films were annealed in controlled environment for improving the crystallinity and size of crystallites. Elemental and thickness analysis were carried out using Rutherford backscattering spectrometry and cross sectional field emission scanning electron microscopy. Structural characteristics reveal a substitutional incorporation of Nb+5 in the TiO2 lattice which inhibits the anatase crystallites growth with increasing the doping percentage. The micro-Raman (MR spectra of films with small size crystallites shows stiffening of about 4 cm−1 for the Eg(1 mode and is ascribed to phonon confinement and non-stoichiometry. In contrast, B1g mode exhibits a large anomalous softening of 20 cm−1 with asymmetrical broadening; which was not reported for the case of pure TiO2 crystallites. This anomalous behaviour is explained by contraction of the apical Ti-O bonds at the surface upon substitutional Nb5+ doping induced reduction of Ti4+ ions also known as hetero-coordination effect. The proposed hypotheses is manifested through studying the electronic structure and phonon dynamics by performing the near edge x-ray absorption fine structure (NEXAFS and temperature dependent MR down to liquid nitrogen temperature on pure and 2.5 at.% doped NTO films, respectively.

Group theoretical arguments on the Landau theory of second-order phase transitions applied to the phase transitions in some liquid crystals

International Nuclear Information System (INIS)

Rosciszewski, K.

1979-01-01

The phase transitions between liquids and several of the simplest liquid crystalline phases (nematic, cholesteric, and the simplest types of smectic A and smectic C) were studied from the point of view of the group-theoretical arguments of Landau theory. It was shown that the only possible candidates for second-order phase transitions are those between nematic and smectic A, between centrosymmetric nematic and smectic C and between centrosymmetric smectic A and smectic C. Simple types of density functions for liquid crystalline phases are proposed. (author)

Studies on the feasibility of using crystalline silicotitanates for the separation of cesium-137 from fast reactor high-level liquid waste

International Nuclear Information System (INIS)

Venkatesan, K.A.; Sukumaran, V.; Antony, M.P.; Srinivasan, T.G.

2009-01-01

The commercially available crystalline silicotitanate inorganic ion xchanger, IONSIV IE-911, and its parent precursor, TAM-5, have been valuated for the removal of 137 Cs from nitric acid medium and simulated high-level liquid waste. The distribution coefficient (K d ) of cesium ecreased with increasing nitric acid concentration and at 3.0 M nitric acid, distribution coefficient of 1150 mL/g and 2600 mL/g were obtained for ONSIV IE-911 and TAM-5, respectively. Rapid uptake of cesium followed by the establishment of equilibrium occurring within three hours. Loading of cesium n ion exchangers increased with the increase in the concentration of cesium n aqueous phase and from Langmuir adsorption model the apparent capacity of cesium was 69 mg/g and 82 mg/g for IONSIV IE-911 and TAM-5, respectively. The performance of the sorbent under dynamic conditions was assessed by following breakthrough (BT) curve up to C/C o = 1, where C and C o are the concentrations of cesium in the effluent and feed, respectively. (author)

Performance comparison between crystalline and co-amorphous salts of indomethacin-lysine

DEFF Research Database (Denmark)

Kasten, Georgia; Nouri, Khatera; Grohganz, Holger

2017-01-01

The introduction of a highly water soluble amino acid as co-amorphous co-former has previously been shown to significantly improve the dissolution rate of poorly water soluble drugs. In this work, dry ball milling (DBM) and liquid assisted grinding (LAG) were used to prepare different physical...... forms of salts of indomethacin (IND) with the amino acid lysine (LYS), allowing the direct comparison of their solid-state properties to their in vitro performance. X-ray powder diffraction and Fourier-transformed infrared spectroscopy showed that DBM experiments led to the formation of a fully co......-amorphous salt, while LAG resulted in a crystalline salt. Differential scanning calorimetry showed that the samples prepared by DBM had a single glass transition temperature (Tg) of approx. 100°C for the co-amorphous salt, while a new melting point (223°C) was obtained for the crystalline salt prepared by LAG...

Liquid Crystals - The 'Fourth' Phase of Matter

Indian Academy of Sciences (India)

possibilities of novel technological applications. Liquid crystalline materials ... advanced instrumentation, including laptops and futuristic flat panel displays. .... The twist grain-boundary phase is formed when the layers of a smectic A phase are .... the optic axis) is uniformly oriented parallel to the glass plate. (see Figure IIa).

Structure and dynamics in liquid water from x-ray absorption spectroscopy

International Nuclear Information System (INIS)

Wernet, Philippe

2009-01-01

Oxygen K-edge x-ray absorption spectra of water are discussed. The spectra of gas-phase water, liquid water and ice illustrate the sensitivity of oxygen K-edge x-ray absorption spectroscopy to hydrogen bonding in water. Transmission mode spectra of amorphous and crystalline ice are compared to x-ray Raman spectra of ice. The good agreement consolidates the experimental spectrum of crystalline ice and represents an incentive for theoretical calculations of the oxygen K-edge absorption spectrum of crystalline ice. Time-resolved infrared-pump and x-ray absorption probe results are finally discussed in the light of this structural interpretation.

Crystalline color superconductivity

International Nuclear Information System (INIS)

Alford, Mark; Bowers, Jeffrey A.; Rajagopal, Krishna

2001-01-01

In any context in which color superconductivity arises in nature, it is likely to involve pairing between species of quarks with differing chemical potentials. For suitable values of the differences between chemical potentials, Cooper pairs with nonzero total momentum are favored, as was first realized by Larkin, Ovchinnikov, Fulde, and Ferrell (LOFF). Condensates of this sort spontaneously break translational and rotational invariance, leading to gaps which vary periodically in a crystalline pattern. Unlike the original LOFF state, these crystalline quark matter condensates include both spin-zero and spin-one Cooper pairs. We explore the range of parameters for which crystalline color superconductivity arises in the QCD phase diagram. If in some shell within the quark matter core of a neutron star (or within a strange quark star) the quark number densities are such that crystalline color superconductivity arises, rotational vortices may be pinned in this shell, making it a locus for glitch phenomena

Applications of high resolution NMR to geochemistry: crystalline, glass, and molten silicates

Energy Technology Data Exchange (ETDEWEB)

Schneider, E.

1985-11-01

The nuclear spin interactions and the associated quantum mechanical dynamics which are present in solid state NMR are introduced. A brief overview of aluminosilicate structure is presented and crystalline structure is then reviewed, with emphasis on the contributions made by /sup 29/Si NMR spectroscopy. The local structure of glass aluminosilicates as observed by NMR, is presented with analysis of the information content of /sup 29/Si spectra. A high-temperature (to 1300/sup 0/C) NMR spectroscopic investigation of the local environment and dynamics of molecular motion in molten aluminosilicates is described. A comparison is made of silicate liquid, glass, and crystalline local structure. The atomic and molecular motions present in a melt are investigated through relaxation time (T/sub 1/ and T/sub 2/) measurements as a function of composition and temperature for /sup 23/Na and /sup 29/Si.

Mechanism of Formation of Li ₇ P ₃ S ₁₁ Solid Electrolytes through Liquid Phase Synthesis

Energy Technology Data Exchange (ETDEWEB)

Wang, Yuxing [Energy; Lu, Dongping [Energy; Bowden, Mark [Environmental; El Khoury, Patrick Z. [Environmental; Han, Kee Sung [Environmental; Deng, Zhiqun Daniel [Energy; Xiao, Jie [Energy; Zhang, Ji-Guang [Energy; Liu, Jun [Energy

2018-01-22

Crystalline Li7P3S11 is a promising solid electrolyte for all solid state lithium/lithium ion batteries. A controllable liquid phase synthesis of Li7P3S11 is more desirable compared to conventional mechanochemical synthesis, but recent attempts suffer from reduced ionic conductivities. Here we elucidate the formation mechanism of crystalline Li7P3S11 synthesized in the liquid phase (acetonitrile, or ACN). We conclude that the crystalline Li7P3S11 forms through a two-step reaction: 1) formation of solid Li3PS4∙ACN and amorphous Li2S∙P2S5 phases in the liquid phase; 2) solid-state conversion of the two phases. The implication of this two-step reaction mechanism to the morphology control and the transport properties of liquid phase synthesized Li7P3S11 is identified and discussed.

Magneto-optic dynamics in a ferromagnetic nematic liquid crystal

OpenAIRE

Potisk, Tilen; Mertelj, Alenka; Sebastian, Nerea; Osterman, Natan; Lisjak, Darja; Brand, Helmut R.; Pleiner, Harald; Svenšek, Daniel

2018-01-01

We investigate dynamic magneto-optic effects in a ferromagnetic nematic liquid crystal experimentally and theoretically. Experimentally we measure the magnetization and the phase difference of the transmitted light when an external magnetic field is applied. As a model we study the coupled dynamics of the magnetization, M, and the director field, n, associated with the liquid crystalline orientational order. We demonstrate that the experimentally studied macroscopic dynamic behavior reveals t...

Static gas-liquid interfacial direct current discharge plasmas using ionic liquid cathode

International Nuclear Information System (INIS)

Kaneko, T.; Baba, K.; Hatakeyama, R.

2009-01-01

Due to the unique properties of ionic liquids such as their extremely low vapor pressure and high heat capacity, we have succeeded in creating the static and stable gas (plasmas)-liquid (ionic liquids) interfacial field using a direct current discharge under a low gas pressure condition. It is clarified that the ionic liquid works as a nonmetal liquid electrode, and furthermore, a secondary electron emission coefficient of the ionic liquid is larger than that of conventional metal electrodes. The plasma potential structure of the gas-liquid interfacial region, and resultant interactions between the plasma and the ionic liquid are revealed by changing a polarity of the electrode in the ionic liquid. By utilizing the ionic liquid as a cathode electrode, the positive ions in the plasma region are found to be irradiated to the ionic liquid. This ion irradiation causes physical and chemical reactions at the gas-liquid interfacial region without the vaporization of the ionic liquid.

NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers

CERN Document Server

Pasini, Paolo; Žumer, Slobodan; Computer Simulations of Liquid Crystals and Polymers

2005-01-01

Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. poly...

Analysis of bank failure: An application of CVAR methodology on liquidity.

Directory of Open Access Journals (Sweden)

Mubanga Mpundu

2017-03-01

Full Text Available In this paper, balance sheet liquidity data was analyzed comprising of 157 Class I and 234 Class II banks. Class I banks are categorized as those with tier 1 capital in excess of $4 billion and internationally active while Class II banks are the rest. A Cointegrated Vector Autoregressive (CVAR approach was used on balance sheet liquidity data to ascertain the behavior of variables in relation to bank failure. The study also demonstrated the nature of each of the variables containing estimated Basel III and Traditional liquidity measures for Class I and II banks. The estimated Basel III liquidity standards were made up of the Liquidity Coverage Ratio (LCR and the Net Stable Funding Ratio (NSFR while the liquidity measures involved Government Securities Ratio (GSR and Brokered Deposit Ratio (BDR. Results showed that a response of Net Stable Funding Ratio to a shock in Liquidity Coverage Ratio decreased in the first quarter and a steady continuous increase in the next quarters was observed. A shock on the Liquidity Coverage Ratio therefore would cause banks to increase their level of Net Stable Funding Ratio. This explains why the Liquidity Coverage Ratio is considered for a short term stress period of 30 calender days while the Net Stable Funding Ratio will be considered for a longer stress period of 1 year when fully implemented by banks.

AsS melt under pressure: one substance, three liquids.

Science.gov (United States)

Brazhkin, V V; Katayama, Y; Kondrin, M V; Hattori, T; Lyapin, A G; Saitoh, H

2008-04-11

An in situ high-temperature--high-pressure study of liquid chalcogenide AsS by x-ray diffraction, resistivity measurements, and quenching from melt is presented. The obtained data provide direct evidence for the existence in the melt under compression of two transformations: one is from a moderate-viscosity molecular liquid to a high-viscosity nonmetallic polymerized liquid at P approximately 1.6-2.2 GPa; the other is from the latter to a low-viscosity metallic liquid at P approximately 4.6-4.8 GPa. Upon rapid cooling, molecular and metallic liquids crystallize to normal and high-pressure phases, respectively, while a polymerized liquid is easily quenched to a new AsS glass. General aspects of multiple phase transitions in liquid AsS, including relations to the phase diagram of the respective crystalline, are discussed.

RNA aptamers targeted for human αA-crystallin do not bind αB-crystallin, and spare the α-crystallin domain.

Science.gov (United States)

Mallik, Prabhat K; Shi, Hua; Pande, Jayanti

2017-09-16

The molecular chaperones, α-crystallins, belong to the small heat shock protein (sHSP) family and prevent the aggregation and insolubilization of client proteins. Studies in vivo have shown that the chaperone activity of the α-crystallins is raised or lowered in various disease states. Therefore, the development of tools to control chaperone activity may provide avenues for therapeutic intervention, as well as enable a molecular understanding of chaperone function. The major human lens α-crystallins, αA- (HAA) and αB- (HAB), share 57% sequence identity and show similar activity towards some clients, but differing activities towards others. Notably, both crystallins contain the "α-crystallin domain" (ACD, the primary client binding site), like all other members of the sHSP family. Here we show that RNA aptamers selected for HAA, in vitro, exhibit specific affinity to HAA but do not bind HAB. Significantly, these aptamers also exclude the ACD. This study thus demonstrates that RNA aptamers against sHSPs can be designed that show high affinity and specificity - yet exclude the primary client binding region - thereby facilitating the development of RNA aptamer-based therapeutic intervention strategies. Copyright © 2017 Elsevier Inc. All rights reserved.

Higher-order-structure formation in liquid crystal epoxy thermosets investigated by synchrotron radiation-wide-angle X-ray diffraction

International Nuclear Information System (INIS)

Maeda, Rina; Okuhara, Kenta; Nakamura, Akihiro; Hayakawa, Teruaki; Uehara, Yasushi; Motoya, Tsukasa; Nobutoki, Hideharu

2016-01-01

We report the investigation of the mesophase transformations of a liquid crystalline molecule with terminal epoxy groups from the initial stages of curing with a diamine compound. The ordered arrangement of molecules within the smectic layers in the thermoset formed at the end of the curing process was characterized by synchrotron radiation-wide-angle X-ray diffraction (SR-WAXD). Data from this experiment helps us understand the phase transitions from the nematic to smectic phases of curing liquid crystalline epoxies. (author)

Amorphous physics and materials: Interstitialcy theory of condensed matter states and its application to non-crystalline metallic materials

International Nuclear Information System (INIS)

Khonik, V A

2017-01-01

A comprehensive review of a novel promising framework for the understanding of non-crystalline metallic materials, i.e., interstitialcy theory of condensed matter states (ITCM), is presented. The background of the ITCM and its basic results for equilibrium/supercooled liquids and glasses are given. It is emphasized that the ITCM provides a new consistent, clear, and testable approach, which uncovers the generic relationship between the properties of the maternal crystal, equilibrium/supercooled liquid and glass obtained by melt quenching. (topical review)

Gold nanoparticles in plastic columnar discotic liquid crystalline material

Energy Technology Data Exchange (ETDEWEB)

Mishra, Mukesh, E-mail: mukeshphysics927@gmail.com [Center of Material Sciences, Institute of Interdisciplinary Studies, University of Allahabad, Allahabad 211002 (India); Kumar, Sandeep [Raman Research Institute, C.V. Raman Avenue, Sadashivanagar, Bangalore 560080 (India); Dhar, Ravindra, E-mail: dr.ravindra.dhar@gmail.com [Center of Material Sciences, Institute of Interdisciplinary Studies, University of Allahabad, Allahabad 211002 (India)

2016-05-10

Highlights: • Dispersion of Gold nanoparticles in a discotic liquid crystal has been studied. • σ{sub i} increases by seven orders of magnitude in the case of 1.2 wt% GNPs composites. • X-ray scattering results revel that a decrement in the core–core separation. • Study suggests that dispersion at low concentrations is uniform. • Band gap has decreased due to dispersion of GNPs in HAT4. - Abstract: We have studied the effect of gold nanoparticles (GNPs) on the thermodynamical, optical and dielectrical parameters of a discotic liquid crystal (DLC) namely hexabutyloxytriphenylene (HAT4). It has been observed that with the increase of GNPs concentration in DLC, composites shows two different regions. In the first regions i.e. low concentrations (<1 wt%), columnar hexagonal-isotropic (Col{sub hp}-I{sub L}) transition temperature and enthalpy (ΔH) decrease rapidly while in the second region i.e. higher concentrations (>1 wt%) Col{sub hp}-I{sub L} transition temperature and ΔH are approximately constant. It has been observed that, in the case of composites having 0.2 and 0.6 wt% of GNPs, conductivity has enhanced but it is poor as compared to the composite having 1.2 wt% of GNPs. For 1.2 wt% of GNPs, conductivity has increased by seven orders of magnitude as compared to the DLC. Optical study suggests that band gap of nanocomposites has decreased due to dispersion of GNPs.

Computer simulation of the structure and properties of non-crystalline oxides

International Nuclear Information System (INIS)

Belashchenko, D.K.

1997-01-01

The structure data and some properties of non-crystalline (liquid and amorphous) oxide systems are discussed that were obtained using computer simulation methods. The simple oxide models, the homological serii of simple oxides, the models of binary and multi-components oxide systems are considered. Also the results of the simulation of ionic transfer in electric field are discussed. Ionic theory of oxides allows to predict the structure, thermodynamic and other properties for many oxide systems except the phosphate and vanadate oxides and some others

Structure/Property Relationships of Siloxane-Based Liquid Crystalline Materials

Science.gov (United States)

1992-05-01

1974). (6) Goossens , N.J.,., Mol. Cryst. Liq. Cryst., 12,237-244(1971). (7) Gray, G.W. and Goodby, J.W.G., Smectic Liquid Crystals- Textures and...pp 30-105, (1989). 42 (59) Richards , R.D.C., Hawthorne, W.D., Hill, J.S., White, M.S., Lacey, D., Semlyen, J.A., Gray, G.W., and Kendrick, T.C., J...946(1985). (30) Davidson, P. and Levelut, A.M., J. Phys., 49, 689-695(1988). (31) Richards , R.D.C., Hawthorne, W.D., Hill, J.S., White, M.S., Lacey

One - step nanosecond laser microstructuring, sulfur hyperdoping, and annealing of silicon surfaces in liquid carbondisulfide

Science.gov (United States)

Van Luong, Nguyen; Danilov, P. A.; Ionin, A. A.; Khmel'nitskii, P. A.; Kudryashov, S. I.; Mel'nik, N. N.; Saraeva, I. N.; Смirnov, H. A.; Rudenko, A. A.; Zayarny, D. A.

2017-09-01

We perform a single-shot IR nanosecond laser processing of commercial silicon wafers in ambient air and under a 2 mm thick carbon disulfide liquid layer. We characterize the surface spots modified in the liquid ambient and the spots ablated under the same conditions in air in terms of its surface topography, chemical composition, band-structure modification, and crystalline structure by means of SEM and EDX microscopy, as well as of FT-IR and Raman spectroscopy. These studies indicate that single-step microstructuring and deep (up to 2-3% on the surface) hyperdoping of the crystalline silicon in its submicron surface layer, preserving via pulsed laser annealing its crystallinity and providing high (103 - 104 cm-1) spectrally at near- and mid-IR absorption coefficients, can be obtained in this novel approach, which is very promising for thin - film silicon photovoltaic devices

Financing Structure and Liquidity Risk: Lesson from Malaysian Experience

Directory of Open Access Journals (Sweden)

Abdul-Rahman Aisyah

2017-05-01

Full Text Available This study examines the relationship between financing structure and bank liquidity risk. We compare the findings between Islamic and conventional banks for the case of Malaysia. We adopt four measures to represent financing structure; namely 1 real estate financing, 2 financing concentration, 3 stability of short-term financing structure and 4 stability of medium-term financing structure. Two BASEL III liquidity risk measures are tested; namely, liquidity coverage ratio (LCR and the net stable funding ratio (NSFR to measure short- and long-term liquidity risk, respectively. Based on panel data regression comprising 27 conventional and 17 Islamic banks from 1994 to 2014, our findings show that real estate financing and stability of short-term financing structure for Islamic banks are positively related to both liquidity risk measures. This implies that an increasing number of real estate financing and a stable short-term financing structure may increase Islamic banks’ short- and long-term liquidity risks. However, although real estate financing does not affect conventional banks’ liquidity risks, a stable short-term financing structure and increasing financing concentration can positively influence bank long-term liquidity risk. Our findings shed light crucial policy implications for regulatory bodies and market players in the context of liquidity risk management framework as well as the need to develop a separate framework between conventional and Islamic banking institutions.

The Distribution of Crystalline Hematite on Mars from the Thermal Emission Spectrometer: Evidence for Liquid Water

Science.gov (United States)

Christensen, P. R.; Malin, M.; Morris, D.; Bandfield, J.; Lane, M.; Edgett, K.

2000-01-01

Crystalline hematite on Mars has been mapped using the MGS TES. Two major, and several minor areas of significant accumulation are identified. We favor precipitation models involving Fe-rich water, providing direct mineralogic evidence for large-scale water interactions.

Accumulation of glycation products in. cap alpha. -H pig lens crystallin and its bearing to diabetic cataract genesis

Energy Technology Data Exchange (ETDEWEB)

Vidal, P; Cabezas-Cerrato, J

1988-01-01

The incorporation of /sup 11/C-glucose in native pig crystalline by in vitro incubation was found, after subsequent dialysis, to affect all 5 classes of crystallin separated by Sepharose CL-6B column chromatography. Though the radioactivity of the ..cap alpha..-H fraction was three times greater than that of any of the others, autoradiographs of SDS-PAGE gels showed /sup 11/C-glucose adducts to be present in all soluble protein subunits, without there being any evidence of preferential glycation of the ..cap alpha..-H subunits. The concentration of stable glycation products in the ..cap alpha..-H chromatographic fraction of soluble crystallins is suggested to be due the addition of glycated material to this fraction as result of glycation-induced hyperaggregation, and not because the ..cap alpha..-H subunits were especially susceptible to glycation.

Polypyrrole: FeOx·ZnO nanoparticle solar cells with breakthrough open-circuit voltage prepared from relatively stable liquid dispersions

KAUST Repository

Zong, Baoyu

2014-01-01

Organic hybrid solar cells with a large open-circuit voltage, up to above that of 1.5 V standard battery voltage, were demonstrated using blends of polypyrrole: Fe2O3·ZnO nanoparticles as active-layers. The cell active-layers were readily coated in open air from relatively stable liquid dark-color polypyrrole-based dispersions, which were synthesized using appropriate surfactants during the in situ polymerization of pyrrole with FeCl3 or both H2O2 and FeCl3 as the oxidizers. The performance of the cells depends largely on the synthesized blend phase, which is determined by the surfactants, oxidizers, as well as the reactant ratio. Only the solar cells fabricated from the stable dispersions can produce both a high open-circuit voltage (>1.0 V) and short-circuit current (up to 7.5 mA cm-2) due to the relatively uniform porous network nanomorphology and higher shunt to series resistance ratio of the active-layers. The cells also display a relatively high power-conversion efficiency of up to ∼3.8%. This journal is

Liquid crystalline networks for electroluminescent displays

International Nuclear Information System (INIS)

Contoret, A.E.A.

2001-09-01

This work presents the first low molar mass organic electroluminescent (EL) material to form a nematic glass and then emit plane-polarised light from the vitrified state on application of an electric field. Photocrosslinkable molecules are also discussed which form insoluble films on illumination with ultra-violet light. This approach combines the ease of deposition of small molecules with the robustness and stability of polymers, allowing simple fabrication of multi-layer EL devices and photo-patterning. A range of conjugated low molar-mass molecules are considered, containing the anthracene, perylene and fluorene cores, with the aims of producing a general recipe for efficient EL, based on ordered, stable nematics at room temperature. Many physical properties are compared and molecular mechanics modeling is used to represent molecular geometries. An acrylate and several diene photo-polymerisable derivatives of the fluorenes undergo photo-crosslinking. Infrared and photoluminescence spectroscopy is used to examine crosslinking in detail and to optimise exposure conditions. The diene shows no significant degradation for an optimal exposure, but requires a high fluence of 100 Jcm -2 to form an insoluble film. A doped photo-alignment layer is used for the first time to obtain polarised El with ratio 11:1 and 80 cdm -2 brightness from the crosslinked diene. The insoluble crosslinked network allows spin coating of an electron transporting over-layer, resulting in increased brightness. Complex impedance spectroscopy and time of flight measurements confirm good material properties with complete depletion of the crosslinkable diene molecule and non-dispersive conduction. Finally, a novel deposition technique, pulsed laser deposition (PLD), is presented, as an alternative to spin coating or vapour deposition. Minimal degradation is observed for optimised deposition conditions and a PLD film is successfully demonstrated in an EL device. (author)

Lyotropic Liquid Crystal Phases from Anisotropic Nanomaterials

Directory of Open Access Journals (Sweden)

Ingo Dierking

2017-10-01

Full Text Available Liquid crystals are an integral part of a mature display technology, also establishing themselves in other applications, such as spatial light modulators, telecommunication technology, photonics, or sensors, just to name a few of the non-display applications. In recent years, there has been an increasing trend to add various nanomaterials to liquid crystals, which is motivated by several aspects of materials development. (i addition of nanomaterials can change and thus tune the properties of the liquid crystal; (ii novel functionalities can be added to the liquid crystal; and (iii the self-organization of the liquid crystalline state can be exploited to template ordered structures or to transfer order onto dispersed nanomaterials. Much of the research effort has been concentrated on thermotropic systems, which change order as a function of temperature. Here we review the other side of the medal, the formation and properties of ordered, anisotropic fluid phases, liquid crystals, by addition of shape-anisotropic nanomaterials to isotropic liquids. Several classes of materials will be discussed, inorganic and mineral liquid crystals, viruses, nanotubes and nanorods, as well as graphene oxide.

Electrical transport in crystalline phase change materials

Energy Technology Data Exchange (ETDEWEB)

Woda, Michael

2012-01-06

In this thesis, the electrical transport properties of crystalline phase change materials are discussed. Phase change materials (PCM) are a special class of semiconducting and metallic thin film alloys, typically with a high amount of the group five element antimony or the group six element tellurium, such as Ge{sub 2}Sb{sub 2}Te{sub 5}. The unique property portfolio of this material class makes it suitable for memory applications. PCMs reveal fast switching between two stable room-temperature phases (amorphous and crystalline) realized by optical laser or electrical current pulses in memory devices. Additionally, a pronounced property contrast in form of optical reflectivity and electrical conductivity between the amorphous and crystalline phase is the characteristic fingerprint of PCMs. The emerging electrical solid state memory PCRAM is a very promising candidate to replace Flash memory in the near future or to even become a universal memory, which is non-volatile and shows the speed and cyclability of DRAM. One of the main technological challenges is the switching process into the amorphous state, which is the most power demanding step. In order to reduce the switching power, the crystalline resistivity needs to be increased at a given voltage. Thus understanding and tayloring of this property is mandatory. In this work, first the technological relevance, i.e. optical and electrical memory concepts based on PCMs are introduced. Subsequently a description of the physical properties of PCMs in four categories is given. Namely, structure, kinetics, optical properties and electrical properties are discussed. Then important recent developments such as the identification of resonant bonding in crystalline PCMs and a property predicting coordination scheme are briefly reviewed. The following chapter deals with the theoretical background of electrical transport, while the next chapter introduces the experimental techniques: Sputtering, XRR, XRD, DSC, thermal annealing

Luminescence properties and energy transfer processes in YAG:Yb,Er single crystalline films

International Nuclear Information System (INIS)

Zorenko, Yu.; Gorbenko, V.; Savchyn, V.; Batentschuk, M.; Osvet, A.; Brabec, C.

2013-01-01

The paper is dedicated to the study of the optical properties of YAG:Yb,Er single-crystalline films (SCF) grown by liquid phase epitaxy. The absorption, cathodoluminescence and time-resolved photoluminescence spectra and photoluminescence decay curves were measured for the SCFs with different doping levels of Er 3+ (from 0.6 to 4.2 at.%) and Yb 3+ (from 0.1 to 0.6 at.%). The spectra, excited by synchrotron radiation in the fundamental absorption range of the YAG and in the intraionic absorption bands of both dopants, reveal energy transfer from the YAG host to the Er 3+ and Yb 3+ ions and between these ions. -- Highlights: •Growth of YAG:Yb,Er single crystalline films by LPE method. •Peculiarities of luminescence of YAG:Yb,Er films with different Er–Yb content. •Yb–Er energy transfer processes in YAG hosts

Liquid Crystalline Nanoparticles as an Ophthalmic Delivery System for Tetrandrine: Development, Characterization, and In Vitro and In Vivo Evaluation

Science.gov (United States)

Liu, Rui; Wang, Shuangshuang; Fang, Shiming; Wang, Jialu; Chen, Jingjing; Huang, Xingguo; He, Xin; Liu, Changxiao

2016-05-01

The purpose of this study was to develop novel liquid crystalline nanoparticles (LCNPs) that display improved pre-ocular residence time and ocular bioavailability and that can be used as an ophthalmic delivery system for tetrandrine (TET). The delivery system consisted of three primary components, including glyceryl monoolein, poloxamer 407, and water, and two secondary components, including Gelucire 44/14 and amphipathic octadecyl-quaternized carboxymethyl chitosan. The amount of TET, the amount of glyceryl monoolein, and the ratio of poloxamer 407 to glyceryl monoolein were selected as the factors that were used to optimize the dependent variables, which included encapsulation efficiency and drug loading. A three-factor, five-level central composite design was constructed to optimize the formulation. TET-loaded LCNPs (TET-LCNPs) were characterized to determine their particle size, zeta potential, entrapment efficiency, drug loading capacity, particle morphology, inner crystalline structure, and in vitro drug release profile. Corneal permeation in excised rabbit corneas was evaluated. Pre-ocular retention was determined using a noninvasive fluorescence imaging system. Finally, pharmacokinetic study in the aqueous humor was performed by microdialysis technique. The optimal formulation had a mean particle size of 170.0 ± 13.34 nm, a homogeneous distribution with polydispersity index of 0.166 ± 0.02, a positive surface charge with a zeta potential of 29.3 ± 1.25 mV, a high entrapment efficiency of 95.46 ± 4.13 %, and a drug loading rate of 1.63 ± 0.07 %. Transmission electron microscopy showed spherical particles that had smooth surfaces. Small-angle X-ray scattering profiles revealed an inverted hexagonal phase. The in vitro release assays showed a sustained drug release profile. A corneal permeation study showed that the apparent permeability coefficient of the optimal formulation was 2.03-fold higher than that of the TET solution. Pre-ocular retention

Semiclassical and quantum polarons in crystalline acetanilide

Science.gov (United States)

Hamm, P.; Tsironis, G. P.

2007-08-01

Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we review the experimental and theoretical developments on acetanilide paying particular attention to issues that are still pending. Although the interpretation of the states is experimentally sound, we find that specific theoretical comprehension is still lacking. Among the issues that that appear not well understood is the effective dimensionality of the selftrapped polaron and free exciton states.

Waste separation and pretreatment using crystalline silicotitanate ion exchangers

Energy Technology Data Exchange (ETDEWEB)

Tadros, M.E.; Miller, J.E. [Sandia National Lab., Albuquerque, NM (United States); Anthony, R.G. [Texas A& M Univ., College Station, TX (United States)

1997-10-01

A new class of inorganic ion exchangers called crystalline silicotitanates (CSTs) has been developed jointly by Sandia National Laboratories and Texas A&M University to selectively remove Cs and other radionuclides from a wide spectrum of radioactive defense wastes. The CST exhibits high selectivity and affinity for Cs and Sr under a wide range of conditions. Tests show it can remove part-per-million concentrations of Cs{sup +} from highly alkaline, high-sodium simulated radioactive waste solutions modeled after those at Hanford, Oak Ridge, and Savannah River. The materials exhibit ion exchange properties based on ionic size selectivity. Specifically, crystalline lattice spacing is controlled to be highly selective for Cs ions even in waste streams containing very high (5 to 10 M) concentrations of sodium. The CST technology is being demonstrated with actual waste at several DOE facilities. The use of inorganic ion exchangers. The inorganics are more resistant to chemical, thermal, and radiation degradation. Their high selectivities result in more efficient operations offering the possibility of a simple single-pass operation. In contrast, regenerable organic ion exchangers require additional processing equipment to handle the regeneration liquids and the eluant with the dissolved Cs.

First liquid single crystal elastomer containing lactic acid derivative as chiral co-monomer: synthesis and properties

Czech Academy of Sciences Publication Activity Database

Bubnov, Alexej; Domenici, V.; Hamplová, Věra; Kašpar, Miroslav; Zalar, B.

2011-01-01

Roč. 52, č. 20 (2011), s. 4490-4497 ISSN 0032-3861 R&D Projects: GA AV ČR IAA100100911; GA AV ČR(CZ) GA202/09/0047; GA MŠk(CZ) OC10006; GA ČR(CZ) GAP204/11/0723 Grant - others:German Czech bilateral program(XE) D4-CZ5/2010-2011; RFASI(RU) 02.740.11.5166 Institutional research plan: CEZ:AV0Z10100520 Keywords : liquid crystalline elastomer * ferroelectric liquid crystalline monomer * smectic A phase * X-ray diffraction * lactate chiral group * monodomain * polymer Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.438, year: 2011

Alloy with metallic glass and quasi-crystalline properties

Science.gov (United States)

Xing, Li-Qian; Hufnagel, Todd C.; Ramesh, Kaliat T.

2004-02-17

An alloy is described that is capable of forming a metallic glass at moderate cooling rates and exhibits large plastic flow at ambient temperature. Preferably, the alloy has a composition of (Zr, Hf).sub.a Ta.sub.b Ti.sub.c Cu.sub.d Ni.sub.e Al.sub.f, where the composition ranges (in atomic percent) are 45.ltoreq.a.ltoreq.70, 3.ltoreq.b.ltoreq.7.5, 0.ltoreq.c.ltoreq.4, 3.ltoreq.b+c.ltoreq.10, 10.ltoreq.d.ltoreq.30, 0.ltoreq.e.ltoreq.20, 10.ltoreq.d+e.ltoreq.35, and 5.ltoreq.f.ltoreq.15. The alloy may be cast into a bulk solid with disordered atomic-scale structure, i.e., a metallic glass, by a variety of techniques including copper mold die casting and planar flow casting. The as-cast amorphous solid has good ductility while retaining all of the characteristic features of known metallic glasses, including a distinct glass transition, a supercooled liquid region, and an absence of long-range atomic order. The alloy may be used to form a composite structure including quasi-crystals embedded in an amorphous matrix. Such a composite quasi-crystalline structure has much higher mechanical strength than a crystalline structure.

Interaction of copper with dinitrogen tetroxide in 1-butyl-3-methylimidazolium-based ionic liquids.

Science.gov (United States)

Morozov, I V; Deeva, E B; Glazunova, T Yu; Troyanov, S I; Guseinov, F I; Kustov, L M

2017-03-27

Ionic liquids that are stable toward oxidation and nitration and are based on the 1-n-butyl-3-methylimidazolium cation (BMIm + ) can be used as solvents and reaction media for copper dissolution in liquid dinitrogen tetraoxide N 2 O 4 . The ionic liquid not only favors the dissociation of N 2 O 4 into NO + and NO 3 - , but also takes part in the formation of different crystalline products. Thus, NO[BF 4 ], NO[Cu(NO 3 ) 3 ] and (BMIm) 2 [Cu 2 (CF 3 COO) 6 ] were prepared using (BMIm)A, A - = [BF 4 ] - , (CF 3 SO 2 ) 2 N - , CF 3 COO - , respectively. The formation of a certain product is determined by the nature of the anion A - and the relative solubility of the reaction products in the ionic liquid. Crystals of NO[BF 4 ] were also prepared directly from a mixture of N 2 O 4 and BMImBF 4 . According to XRD single-crystal structure analysis, the structure of NO[BF 4 ] consists of tetrahedral [BF 4 ] - anions and nitrosonium NO + cations; the formation of these ions prove the heterolytic dissociation of N 2 O 4 dissolved in the ionic liquid. The crystal structure of the earlier unknown binuclear copper trifluoroacetate (BMIm) 2 [Cu 2 (CF 3 COO) 6 ] were determined by X-ray diffraction. The peculiarity of this dimer compared to the majority of known dimeric copper(ii) carboxylates is the unusually long CuCu distance (3.15 Å), with Cu(ii) ions demonstrating an atypical coordination of a distorted trigonal bipyramid formed by five O atoms of five trifluoroacetate groups.

Local thermodynamic mapping for effective liquid density-functional theory

Science.gov (United States)

Kyrlidis, Agathagelos; Brown, Robert A.

1992-01-01

The structural-mapping approximation introduced by Lutsko and Baus (1990) in the generalized effective-liquid approximation is extended to include a local thermodynamic mapping based on a spatially dependent effective density for approximating the solid phase in terms of the uniform liquid. This latter approximation, called the local generalized effective-liquid approximation (LGELA) yields excellent predictions for the free energy of hard-sphere solids and for the conditions of coexistence of a hard-sphere fcc solid with a liquid. Moreover, the predicted free energy remains single valued for calculations with more loosely packed crystalline structures, such as the diamond lattice. The spatial dependence of the weighted density makes the LGELA useful in the study of inhomogeneous solids.

The structure of the solid-liquid interface: atomic size effect; La structure de l'interface solide-liquide: effet de taille atomique

Energy Technology Data Exchange (ETDEWEB)

Geysermans, P.; Pontikis, V. [Centre National de la Recherche Scientifique (CNRS), 94 - Vitry-sur-Seine (France). Centre d' Etudes de Chimie Metallurgique

2002-09-01

The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size ({sigma}) and energy ({epsilon}) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites ({chi}={sigma}{sub 1}/{sigma}{sub 2}) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the {chi} value. (authors)

Photoinduced changes of surface topography in amorphous, liquid-crystalline, and crystalline films of bent-core azobenzene-containing substance

Czech Academy of Sciences Publication Activity Database

Bobrovsky, A.; Mochalov, K.; Oleinikov, V.; Solovyeva, D.; Shibaev, V.; Bogdanova, Y.; Hamplová, Věra; Kašpar, Miroslav; Bubnov, Alexej

2016-01-01

Roč. 120, č. 22 (2016), 5073-5082 ISSN 1520-6106 R&D Projects: GA ČR GA16-12150S; GA MŠk(CZ) LH15305 Institutional support: RVO:68378271 Keywords : liquid crystals * azo group * bent-shaped material * nematic * photo-optical behaviour Subject RIV: JJ - Other Materials Impact factor: 3.177, year: 2016

Entrapment of curcumin into monoolein-based liquid crystalline nanoparticle dispersion for enhancement of stability and anticancer activity

Science.gov (United States)

Baskaran, Rengarajan; Madheswaran, Thiagarajan; Sundaramoorthy, Pasupathi; Kim, Hwan Mook; Yoo, Bong Kyu

2014-01-01

Despite the promising anticancer potential of curcumin, its therapeutic application has been limited, owing to its poor solubility, bioavailability, and chemical fragility. Therefore, various formulation approaches have been attempted to address these problems. In this study, we entrapped curcumin into monoolein (MO)-based liquid crystalline nanoparticles (LCNs) and evaluated the physicochemical properties and anticancer activity of the LCN dispersion. The results revealed that particles in the curcumin-loaded LCN dispersion were discrete and monodispersed, and that the entrapment efficiency was almost 100%. The stability of curcumin in the dispersion was surprisingly enhanced (about 75% of the curcumin survived after 45 days of storage at 40°C), and the in vitro release of curcumin was sustained (10% or less over 15 days). Fluorescence-activated cell sorting (FACS) analysis using a human colon cancer cell line (HCT116) exhibited 99.1% fluorescence gating for 5 μM curcumin-loaded LCN dispersion compared to 1.36% for the same concentration of the drug in dimethyl sulfoxide (DMSO), indicating markedly enhanced cellular uptake. Consistent with the enhanced cellular uptake of curcumin-loaded LCNs, anticancer activity and cell cycle studies demonstrated apoptosis induction when the cells were treated with the LCN dispersion; however, there was neither noticeable cell death nor significant changes in the cell cycle for the same concentration of the drug in DMSO. In conclusion, entrapping curcumin into MO-based LCNs may provide, in the future, a strategy for overcoming the hurdles associated with both the stability and cellular uptake issues of the drug in the treatment of various cancers. PMID:25061290

Macroscopic diffusion models for precipitation in crystalline gallium arsenide

Energy Technology Data Exchange (ETDEWEB)

Kimmerle, Sven-Joachim Wolfgang

2009-09-21

Based on a thermodynamically consistent model for precipitation in gallium arsenide crystals including surface tension and bulk stresses by Dreyer and Duderstadt, we propose two different mathematical models to describe the size evolution of liquid droplets in a crystalline solid. The first model treats the diffusion-controlled regime of interface motion, while the second model is concerned with the interface-controlled regime of interface motion. Our models take care of conservation of mass and substance. These models generalise the well-known Mullins- Sekerka model for Ostwald ripening. We concentrate on arsenic-rich liquid spherical droplets in a gallium arsenide crystal. Droplets can shrink or grow with time but the centres of droplets remain fixed. The liquid is assumed to be homogeneous in space. Due to different scales for typical distances between droplets and typical radii of liquid droplets we can derive formally so-called mean field models. For a model in the diffusion-controlled regime we prove this limit by homogenisation techniques under plausible assumptions. These mean field models generalise the Lifshitz-Slyozov-Wagner model, which can be derived from the Mullins-Sekerka model rigorously, and is well understood. Mean field models capture the main properties of our system and are well adapted for numerics and further analysis. We determine possible equilibria and discuss their stability. Numerical evidence suggests in which case which one of the two regimes might be appropriate to the experimental situation. (orig.)

The Landau-de Gennes theory of nematic liquid crystals: Uniaxiality versus Biaxiality

KAUST Repository

Majumdar, Apala

2011-01-01

are also discussed, which include physically relevant estimates for the solution and its scalar order parameters. This work is motivated by the study of defects in liquid crystalline systems and their applications.

Localised polymer networks in chiral nematic liquid crystals for high speed photonic switching

Science.gov (United States)

Tartan, Chloe C.; Salter, Patrick S.; Booth, Martin J.; Morris, Stephen M.; Elston, Steve J.

2016-05-01

Self-assembled periodic structures based upon chiral liquid crystalline materials have significant potential in the field of photonics ranging from fast-switching optoelectronic devices to low-threshold lasers. The flexoelectro-optic effect, which is observed in chiral nematic liquid crystals (LCs) when an electric field is applied perpendicular to the helical axis, has significant potential as it exhibits analogue switching in 10-100 μs. However, the major technological barrier that prohibits the commercial realisation of this electro-optic effect is the requirement of a uniform, in-plane alignment of the helix axis between glass substrates. Here, it is shown that periodic polymer structures engineered in the nematic phase of a chiral nematic LC device using direct laser writing can result in the spontaneous formation of the necessary uniform lying helix (ULH) state. Specifically, two-photon polymerization is used in conjunction with a spatial light modulator so as to correct for aberrations introduced by the bounding glass substrates enabling the polymer structures to be fabricated directly into the device. The ULH state appears to be stable in the absence of an externally applied electric field, and the optimum contrast between the bright and dark states is obtained using polymer structures that have periodicities of the order of the device thickness.

Localised polymer networks in chiral nematic liquid crystals for high speed photonic switching

International Nuclear Information System (INIS)

Tartan, Chloe C.; Salter, Patrick S.; Booth, Martin J.; Morris, Stephen M.; Elston, Steve J.

2016-01-01

Self-assembled periodic structures based upon chiral liquid crystalline materials have significant potential in the field of photonics ranging from fast-switching optoelectronic devices to low-threshold lasers. The flexoelectro-optic effect, which is observed in chiral nematic liquid crystals (LCs) when an electric field is applied perpendicular to the helical axis, has significant potential as it exhibits analogue switching in 10–100 μs. However, the major technological barrier that prohibits the commercial realisation of this electro-optic effect is the requirement of a uniform, in-plane alignment of the helix axis between glass substrates. Here, it is shown that periodic polymer structures engineered in the nematic phase of a chiral nematic LC device using direct laser writing can result in the spontaneous formation of the necessary uniform lying helix (ULH) state. Specifically, two-photon polymerization is used in conjunction with a spatial light modulator so as to correct for aberrations introduced by the bounding glass substrates enabling the polymer structures to be fabricated directly into the device. The ULH state appears to be stable in the absence of an externally applied electric field, and the optimum contrast between the bright and dark states is obtained using polymer structures that have periodicities of the order of the device thickness.

Localised polymer networks in chiral nematic liquid crystals for high speed photonic switching

Energy Technology Data Exchange (ETDEWEB)

Tartan, Chloe C., E-mail: chloe.tartan@eng.ox.ac.uk, E-mail: steve.elston@eng.ox.ac.uk; Salter, Patrick S.; Booth, Martin J.; Morris, Stephen M.; Elston, Steve J., E-mail: chloe.tartan@eng.ox.ac.uk, E-mail: steve.elston@eng.ox.ac.uk [Department of Engineering Science, University of Oxford, Parks Road, Oxford OX1 3PJ (United Kingdom)

2016-05-14

Self-assembled periodic structures based upon chiral liquid crystalline materials have significant potential in the field of photonics ranging from fast-switching optoelectronic devices to low-threshold lasers. The flexoelectro-optic effect, which is observed in chiral nematic liquid crystals (LCs) when an electric field is applied perpendicular to the helical axis, has significant potential as it exhibits analogue switching in 10–100 μs. However, the major technological barrier that prohibits the commercial realisation of this electro-optic effect is the requirement of a uniform, in-plane alignment of the helix axis between glass substrates. Here, it is shown that periodic polymer structures engineered in the nematic phase of a chiral nematic LC device using direct laser writing can result in the spontaneous formation of the necessary uniform lying helix (ULH) state. Specifically, two-photon polymerization is used in conjunction with a spatial light modulator so as to correct for aberrations introduced by the bounding glass substrates enabling the polymer structures to be fabricated directly into the device. The ULH state appears to be stable in the absence of an externally applied electric field, and the optimum contrast between the bright and dark states is obtained using polymer structures that have periodicities of the order of the device thickness.

Luminescent properties and energy transfer processes in Ce-Tb doped single crystalline film screens of Lu-based silicate, perovskite and garnet compounds

Czech Academy of Sciences Publication Activity Database

Zorenko, Y.; Gorbenko, V.; Savchyn, V.; Zorenko, T.; Martin, T.; Douissard, P.-A.; Nikl, Martin; Mareš, Jiří A.

2013-01-01

Roč. 56, Sept (2013), s. 415-419 ISSN 1350-4487 Institutional support: RVO:68378271 Keywords : single crystalline films * liquid phase epitaxy * perovskites * luminescence * scintillators Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.140, year: 2013

Corrosion behavior of amorphous and crystalline Cu50Ti50 and Cu50Zr50 alloys

International Nuclear Information System (INIS)

Naka, M.; Hoshimoto, K.; Masumoto, T.

1978-01-01

Corrosion rates and anodic polarization curves of amorphous and crystalline Cu 50 Ti 50 and Cu 50 Zr 50 alloys have been examined in various acidic, neutral and alkaline solutions. The amorphous alloys are very stable in acidic and alkaline solutions, but unstable in agressive chloride solutions. The corrosion resistance of these amorphous alloys is higher than that of the crystallized alloys. The high corrosion resistance of amorphous alloys is attributable to the high chemical homogeneity of amorphous alloys without localized crystalline defects such as precipitates, segregates, grain boundaries, etc. Metalloid elements play an important role in the corrosion behavior of amorphous alloys; the addition of phosphorus to amorphous Cu-Ti alloy greatly increases the corrosion resistance, even in 1N HCl. (Auth.)

Ultra-fast solid state electro-optical modulator based on liquid crystal polymer and liquid crystal composites

Energy Technology Data Exchange (ETDEWEB)

Ouskova, Elena; Sio, Luciano De, E-mail: luciano@beamco.com; Vergara, Rafael; Tabiryan, Nelson [Beam Engineering for Advanced Measurements Company, Winter Park, Florida 32789 (United States); White, Timothy J.; Bunning, Timothy J. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433-7707 (United States)

2014-12-08

A different generation of polymer-dispersed liquid crystals (PDLCs) based on a liquid crystalline polymer host is reported wherein the fluid behavior of the reactive mesogenic monomer is an enabler to concentration windows (liquid crystal polymer/liquid crystal) (and subsequent morphologies) not previously explored. These liquid crystal (LC) polymer/LC composites, LCPDLCs, exhibit excellent optical and electro-optical properties with negligible scattering losses in both the ON and OFF states. These systems thus have application in systems where fast phase modulation of optical signal instead of amplitude control is needed. Polarized optical microscopy and high resolution scanning electron microscopy confirm a bicontinuous morphology composed of aligned LC polymer coexisting with a phase separated LC fluid. Operating voltages, switching times, and spectra of LCPDLCs compare favourably to conventional PDLC films. The LCPDLCs exhibit a low switching voltage (4–5 V/μm), symmetric and submillisecond (200 μs) on/off response times, and high transmission in both the as formed and switched state in a phase modulation geometry.

Dispersion relations of the acoustic modes in divalent liquid metals

Directory of Open Access Journals (Sweden)

Inui Masanori

2017-01-01

Full Text Available Collective dynamics in liquid Ca and liquid Cd was studied by inelastic x-ray scattering (IXS. Using our experimental technique to prepare proper sample cells and high performance of an IXS beamline (BL35XU at SPring-8 in Japan, the dynamic structure factor with reasonable statistics was obtained for these divalent liquid metals. For both liquids, the dynamic structure factor at low Q exhibits a central peak with a shoulder or small hump clearly visible on each side, and the inelastic excitation energy determined using the model function composed of Lorentzian and the damped harmonic oscillator function disperses with increasing Q. The dispersion curves of these liquids were compared with that of the longitudinal acoustic phonon in each crystalline phase. From these results, clear difference in the interatomic interaction be- tween liquid Ca and liquid Cd was inferred.

Horizontal bridges in polar dielectric liquids

Science.gov (United States)

Woisetschläger, Jakob; Wexler, Adam D.; Holler, Gert; Eisenhut, Mathias; Gatterer, Karl; Fuchs, Elmar C.

2012-01-01

When a high-voltage direct-current is applied to two beakers filled with polar liquid dielectrica like water or methanol, a horizontal bridge forms between the two beakers. By repeating a version of Pellat's experiment, it is shown that a horizontal bridge is stable by the action of electrohydrodynamic pressure. Thus, the static and dynamic properties of the phenomenon called a `floating water bridge' can be explained by the gradient of Maxwell pressure, replenishing the liquid within the bridge against any drainage mechanism. It is also shown that a number of liquids can form stable and long horizontal bridges. The stability of such a connection, and the asymmetry in mass flow through such bridges caused by the formation of ion clouds in the vicinity of the electrodes, is also discussed by two further experiments.

Self-assembled stable sponge-type nanocarries for Brucea javanica oil delivery

Czech Academy of Sciences Publication Activity Database

Zou, A.; Li, Y.; Chen, Y.; Angelova, A.; Garamus, V.M.; Li, N.; Drechsler, M.; Angelov, Borislav; Gong, Y.

2017-01-01

Roč. 153, May (2017), s. 310-319 ISSN 0927-7765 R&D Projects: GA MŠk EF15_008/0000162; GA MŠk LQ1606 Grant - others:ELI Beamlines(XE) CZ.02.1.01/0.0/0.0/15_008/0000162 Institutional support: RVO:68378271 Keywords : nanosponges * liquid crystalline nanocarriers * self-assembly * phytochemical anticancer nanomedicinesa Subject RIV: BO - Biophysics OBOR OECD: Biophysics Impact factor: 3.887, year: 2016

Bidimensional distortion in ferroelectric liquid crystals with strong ...

Indian Academy of Sciences (India)

characterized by bistability and optical memory in the surface-stabilized bookshelf [2,3] ... tic layers, which lies in a plane parallel to the cell walls (see figure 1). Up to now ... Theory. We consider a liquid crystalline material exhibiting ferroelectric phase organized in book- ... By applying an external electric field Eext along.

Formation of a new benzene-ethane co-crystalline structure under cryogenic conditions.

Science.gov (United States)

Vu, Tuan Hoang; Cable, Morgan L; Choukroun, Mathieu; Hodyss, Robert; Beauchamp, Patricia

2014-06-12

We report the first experimental finding of a solid molecular complex between benzene and ethane, two small apolar hydrocarbons, at atmospheric pressure and cryogenic temperatures. Considerable amounts of ethane are found to be incorporated inside the benzene lattice upon the addition of liquid ethane onto solid benzene at 90-150 K, resulting in formation of a distinctive co-crystalline structure that can be detected via micro-Raman spectroscopy. Two new features characteristic of these co-crystals are observed in the Raman spectra at 2873 and 1455 cm(-1), which are red-shifted by 12 cm(-1) from the υ1 (a1g) and υ11 (eg) stretching modes of liquid ethane, respectively. Analysis of benzene and ethane vibrational bands combined with quantum mechanical modeling of isolated molecular dimers reveal an interaction between the aromatic ring of benzene and the hydrogen atoms of ethane in a C-H···π fashion. The most favored configuration for the benzene-ethane dimer is the monodentate-contact structure, with a calculated interaction energy of 9.33 kJ/mol and an equilibrium bonding distance of 2.66 Å. These parameters are comparable to those for a T-shaped co-crystalline complex between benzene and acetylene that has been previously reported in the literature. These results are relevant for understanding the hydrocarbon cycle of Titan, where benzene and similar organics may act as potential hydrocarbon reservoirs due to this incorporation mechanism.

Time-resolved luminescent spectroscopy of YAG:Ce single crystal and single crystalline films

International Nuclear Information System (INIS)

Zorenko, Yu.; Gorbenko, V.; Savchyn, V.; Vozniak, T.; Puzikov, V.; Danko, A.; Nizhankovski, S.

2010-01-01

The peculiarities of the luminescence and energy transfer from YAG host to the emission centers formed by the Y Al antisite defects and Ce 3+ ions have been studied in YAG:Ce single crystals, grown from the melt by modified Bridgman method in Ar and CO 2 + H 2 atmospheres, and YAG:Ce single crystalline film, grown by liquid phase epitaxy method, using the comparative time-resolved luminescent spectroscopy under excitation by synchrotron radiation in the range of fundamental adsorption of this garnet.

Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates

Science.gov (United States)

Dasgupta, Dwaipayan; Kumar, Ashish; Maroudas, Dimitrios

2018-03-01

We report results of a systematic study on the complex oscillatory current-driven dynamics of single-layer homoepitaxial islands on crystalline substrate surfaces and the dependence of this driven dynamical behavior on important physical parameters, including island size, substrate surface orientation, and direction of externally applied electric field. The analysis is based on a nonlinear model of driven island edge morphological evolution that accounts for curvature-driven edge diffusion, edge electromigration, and edge diffusional anisotropy. Using a linear theory of island edge morphological stability, we calculate a critical island size at which the island's equilibrium edge shape becomes unstable, which sets a lower bound for the onset of time-periodic oscillatory dynamical response. Using direct dynamical simulations, we study the edge morphological dynamics of current-driven single-layer islands at larger-than-critical size, and determine the actual island size at which the migrating islands undergo a transition from steady to time-periodic asymptotic states through a subcritical Hopf bifurcation. At the highest symmetry of diffusional anisotropy examined, on {111} surfaces of face-centered cubic crystalline substrates, we find that more complex stable oscillatory states can be reached through period-doubling bifurcation at island sizes larger than those at the Hopf points. We characterize in detail the island morphology and dynamical response at the stable time-periodic asymptotic states, determine the range of stability of these oscillatory states terminated by island breakup, and explain the morphological features of the stable oscillating islands on the basis of linear stability theory.

[Fractionation of hydrogen stable isotopes in the human body].

Science.gov (United States)

Siniak, Iu E; Grigor'ev, A I; Skuratov, V M; Ivanova, S M; Pokrovskiĭ, B G

2006-01-01

Fractionation of hydrogen stable isotopes was studied in 9 human subjects in a chamber with normal air pressure imitating a space cabin. Mass-spectrometry of isotopes in blood, urine, saliva, and potable water evidenced increases in the contents of heavy H isotope (deuterium) in the body liquids as compared with water. These results support one of the theories according to which the human organism eliminates heavy stable isotopes of biogenous chemical elements.

Experimental synthesis of crystalline matrices based on Ce, Ba, Sr zirconates for immobilization of high-level radioactive actinides

International Nuclear Information System (INIS)

Anderson, E.B.; Burakov, B.E.; Vasiliev, V.G.; Starchenko, V.A.

1993-01-01

In geological disposal of high-level radioactive waste the main storage barriers, in the first place the matrix containing radionuclides, must remain undestructible over a long period of time. Very high requirements are imposed for the matrices from the viewpoint of their chemical stability and mechanical strength. Zirconates may be classified among compounds potentially suitable for the creation of crystalline matrices incorporating radionuclides in their structure. The paper considers results of laboratory experiments on the synthesis of crystalline matrices based on various zirconates by the methods of gas-static and axial pressing. Problems are discussed concerning the crystalline matrix industrial synthesis technology developed at the Radium Institute. One of the most promising directions in solving the problem of high-level waste (HLW) removal from the sphere of human activity is disposal in deep geological formations. The realization of this direction envisages creation of multibarrier compositions. Special attention is paid to the technology for the synthesis of the first, the most crucial, engineering barrier: the matrix into which radionuclides are incorporated. It is assumed that crystalline compounds best satisfy all the requirements as the most thermodynamically stable

The origin, source and cycling of methane in deep crystalline rock biosphere

Directory of Open Access Journals (Sweden)

Riikka eKietäväinen

2015-07-01

Full Text Available The emerging interest in using stable bedrock formations for industrial purposes, e.g. nuclear waste disposal, has increased the need for understanding microbiological and geochemical processes in deep crystalline rock environments, including the carbon cycle. Considering the origin and evolution of life on Earth, these environments may also serve as windows to the past. Various geological, chemical and biological processes can influence the deep carbon cycle. Conditions of CH4 formation, available substrates and time scales can be drastically different from surface environments. This paper reviews the origin, source and cycling of methane in deep terrestrial crystalline bedrock with an emphasis on microbiology. In addition to potential formation pathways of CH4, microbial consumption of CH4 is also discussed. Recent studies on the origin of CH4 in continental bedrock environments have shown that the traditional separation of biotic and abiotic CH4 by the isotopic composition can be misleading in substrate-limited environments, such as the deep crystalline bedrock. Despite of similarities between Precambrian continental sites in Fennoscandia, South Africa and North America, where deep methane cycling has been studied, common physicochemical properties which could explain the variation in the amount of CH4 and presence or absence of CH4 cycling microbes were not found. However, based on their preferred carbon metabolism, methanogenic microbes appeared to have similar spatial distribution among the different sites.

The origin, source, and cycling of methane in deep crystalline rock biosphere.

Science.gov (United States)

Kietäväinen, Riikka; Purkamo, Lotta

2015-01-01

The emerging interest in using stable bedrock formations for industrial purposes, e.g., nuclear waste disposal, has increased the need for understanding microbiological and geochemical processes in deep crystalline rock environments, including the carbon cycle. Considering the origin and evolution of life on Earth, these environments may also serve as windows to the past. Various geological, chemical, and biological processes can influence the deep carbon cycle. Conditions of CH4 formation, available substrates and time scales can be drastically different from surface environments. This paper reviews the origin, source, and cycling of methane in deep terrestrial crystalline bedrock with an emphasis on microbiology. In addition to potential formation pathways of CH4, microbial consumption of CH4 is also discussed. Recent studies on the origin of CH4 in continental bedrock environments have shown that the traditional separation of biotic and abiotic CH4 by the isotopic composition can be misleading in substrate-limited environments, such as the deep crystalline bedrock. Despite of similarities between Precambrian continental sites in Fennoscandia, South Africa and North America, where deep methane cycling has been studied, common physicochemical properties which could explain the variation in the amount of CH4 and presence or absence of CH4 cycling microbes were not found. However, based on their preferred carbon metabolism, methanogenic microbes appeared to have similar spatial distribution among the different sites.

Processing-microstructure relationships in thermotropic liquid crystalline polymers: Experimental and numerical modeling studies

Science.gov (United States)

Fang, Jun

Thermotropic liquid crystalline polymers (TLCPs) are a class of promising engineering materials for high-demanding structural applications. Their excellent mechanical properties are highly correlated to the underlying molecular orientation states, which may be affected by complex flow fields during melt processing. Thus, understanding and eventually predicting how processing flows impact molecular orientation is a critical step towards rational design work in order to achieve favorable, balanced physical properties in finished products. This thesis aims to develop deeper understanding of orientation development in commercial TLCPs during processing by coordinating extensive experimental measurements with numerical computations. In situ measurements of orientation development of LCPs during processing are a focal point of this thesis. An x-ray capable injection molding apparatus is enhanced and utilized for time-resolved measurements of orientation development in multiple commercial TLCPs during injection molding. Ex situ wide angle x-ray scattering is also employed for more thorough characterization of molecular orientation distributions in molded plaques. Incompletely injection molded plaques ("short shots") are studied to gain further insights into the intermediate orientation states during mold filling. Finally, two surface orientation characterization techniques, near edge x-ray absorption fine structure (NEXAFS) and infrared attenuated total reflectance (FTIR-ATR) are combined to investigate the surface orientation distribution of injection molded plaques. Surface orientation states are found to be vastly different from their bulk counterparts due to different kinematics involved in mold filling. In general, complex distributions of orientation in molded plaques reflect the spatially varying competition between shear and extension during mold filling. To complement these experimental measurements, numerical calculations based on the Larson-Doi polydomain model

Amorphous and Crystalline Particulates: Challenges and Perspectives in Drug Delivery.

Science.gov (United States)

Al-Obaidi, Hisham; Majumder, Mridul; Bari, Fiza

2017-01-01

Crystalline and amorphous dispersions have been the focus of academic and industrial research due to their potential role in formulating poorly water-soluble drugs. This review looks at the progress made starting with crystalline carriers in the form of eutectics moving towards more complex crystalline mixtures. It also covers using glassy polymers to maintain the drug as amorphous exhibiting higher energy and entropy. However, the amorphous form tends to recrystallize on storage, which limits the benefits of this approach. Specific interactions between the drug and the polymer may retard this spontaneous conversion of the amorphous drug. Some studies have shown that it is possible to maintain the drug in the amorphous form for extended periods of time. For the drug and the polymer to form a stable mixture they have to be miscible on a molecular basis. Another form of solid dispersions is pharmaceutical co-crystals, for which research has focused on understanding the chemistry, crystal engineering and physico-chemical properties. USFDA has issued a guidance in April 2013 suggesting that the co-crystals as a pharmaceutical product may be a reality; but just not yet! While some of the research is still oriented towards application of these carriers, understanding the mechanism by which drug-carrier miscibility occurs is also covered. Within this context is the use of thermodynamic models such as Flory-Huggins model with some examples of studies used to predict miscibility. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

STM, SECPM, AFM and Electrochemistry on Single Crystalline Surfaces

Directory of Open Access Journals (Sweden)

Ulrich Stimming

2010-08-01

Full Text Available Scanning probe microscopy (SPM techniques have had a great impact on research fields of surface science and nanotechnology during the last decades. They are used to investigate surfaces with scanning ranges between several 100 mm down to atomic resolution. Depending on experimental conditions, and the interaction forces between probe and sample, different SPM techniques allow mapping of different surface properties. In this work, scanning tunneling microscopy (STM in air and under electrochemical conditions (EC-STM, atomic force microscopy (AFM in air and scanning electrochemical potential microscopy (SECPM under electrochemical conditions, were used to study different single crystalline surfaces in electrochemistry. Especially SECPM offers potentially new insights into the solid-liquid interface by providing the possibility to image the potential distribution of the surface, with a resolution that is comparable to STM. In electrocatalysis, nanostructured catalysts supported on different electrode materials often show behavior different from their bulk electrodes. This was experimentally and theoretically shown for several combinations and recently on Pt on Au(111 towards fuel cell relevant reactions. For these investigations single crystals often provide accurate and well defined reference and support systems. We will show heteroepitaxially grown Ru, Ir and Rh single crystalline surface films and bulk Au single crystals with different orientations under electrochemical conditions. Image studies from all three different SPM methods will be presented and compared to electrochemical data obtained by cyclic voltammetry in acidic media. The quality of the single crystalline supports will be verified by the SPM images and the cyclic voltammograms. Furthermore, an outlook will be presented on how such supports can be used in electrocatalytic studies.

Liquid crystal templating as an approach to spatially and temporally organise soft matter.

Science.gov (United States)

van der Asdonk, Pim; Kouwer, Paul H J

2017-10-02

Chemistry quickly moves from a molecular science to a systems science. This requires spatial and temporal control over the organisation of molecules and molecular assemblies. Whilst Nature almost by default (transiently) organises her components at multiple different length scales, scientists struggle to realise even relatively straightforward patterns. In the past decades, supramolecular chemistry has taught us the rules to precisely engineer molecular assembly at the nanometre scale. At higher length scales, however, we are bound to top-down nanotechnology techniques to realise order. For soft, biological matter, many of these top-down techniques come with serious limitations since the molecules generally show low susceptibilities to the applied stimuli. A new method is based on liquid crystal templating. In this hierarchical approach, a liquid crystalline host serves as the scaffold to order polymers or assemblies. Being a liquid crystal, the host material can be ordered at many different length scales and on top of that, is highly susceptible to many external stimuli, which can even be used to manipulate the liquid crystal organisation in time. As a result, we anticipate large control over the organisation of the materials inside the liquid crystalline host. Recently, liquid crystal templating was also realised in water. This suddenly makes this tool highly applicable to start organising more delicate biological materials or even small organisms. We review the scope and limitations of liquid crystal templating and look out to where the technique may lead us.

Influence of crystallinity on CO gas sensing for TiO{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Seeley, Zachary Mark [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164-2920 (United States); Bandyopadhyay, Amit [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164-2920 (United States)], E-mail: amitband@wsu.edu; Bose, Susmita [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164-2920 (United States)

2009-08-15

In the present research, carbon monoxide (CO) gas sensing response was studied for TiO{sub 2} thick films calcined and sintered between 700 and 900 deg. C. Crystalline phase, crystallite size, surface area, particle size, and amorphous content were measured for the calcined powder. Crystallinity of the powder was found to affect sensing response significantly towards CO. Anatase phase of TiO{sub 2} thick film was stable up to 900 deg. C however, as calcination temperature increased from 700 to 900 deg. C, surface area and amorphous phase content decreased. Films calcined and sintered at 700 deg. C showed a lower response towards CO than those calcined at 800 deg. C. Upon increasing the calcination temperature further, particle growth and reduced surface area hindered the sensing response. A calcination temperature of 800 deg. C was necessary to achieve sufficient order in the crystal structure leading to more efficient adsorption and desorption of oxygen ions on the surface of TiO{sub 2}.

Liquid crystal droplet formation and anchoring dynamics in a microfluidic device

Science.gov (United States)

Steinhaus, Ben; Shen, Amy; Feng, James; Link, Darren

2004-11-01

Liquid crystal drops dispersed in a continuous phase of silicon oil are generated with a narrow distribution in droplet size in microfluidic devices both above and below the nematic to isotropic transition temperature. For these two cases, we observe not only the different LC droplet generation and coalescence dynamics, but also distinct droplet morphology. Our experiments show that the nematic liquid crystalline order is important for the LC droplet formation and anchoring dynamics.

Effect of Ultrasonic Vibration on Mechanical Properties of 3D Printing Non-Crystalline and Semi-Crystalline Polymers.

Science.gov (United States)

Li, Guiwei; Zhao, Ji; Wu, Wenzheng; Jiang, Jili; Wang, Bofan; Jiang, Hao; Fuh, Jerry Ying Hsi

2018-05-17

Fused deposition modeling 3D printing has become the most widely used additive manufacturing technology because of its low manufacturing cost and simple manufacturing process. However, the mechanical properties of the 3D printing parts are not satisfactory. Certain pressure and ultrasonic vibration were applied to 3D printed samples to study the effect on the mechanical properties of 3D printed non-crystalline and semi-crystalline polymers. The tensile strength of the semi-crystalline polymer polylactic acid was increased by 22.83% and the bending strength was increased by 49.05%, which were almost twice the percentage increase in the tensile strength and five times the percentage increase in the bending strength of the non-crystalline polymer acrylonitrile butadiene styrene with ultrasonic strengthening. The dynamic mechanical properties of the non-crystalline and semi-crystalline polymers were both improved after ultrasonic enhancement. Employing ultrasonic energy can significantly improve the mechanical properties of samples without modifying the 3D printed material or adjusting the forming process parameters.

Comparison studies of rheological and thermal behaviors of ionic liquids and nanoparticle ionic liquids.

Science.gov (United States)

Xu, Yiting; Zheng, Qiang; Song, Yihu

2015-08-14

Novel nanoparticle ionic liquids (NILs) are prepared by grafting modified nanoparticles with long-chain ionic liquids (ILs). The NIL behaves like a liquid at ambient temperature. We studied the rheological behavior of the IL and NIL over the range of 10-55 °C and found an extraordinary difference between the IL and NIL: a small content of nanosilica (7%) moderately improves the crystallinity by 7% of the poly(ethylene glycol) (PEG) segment in the IL, and it improves the dynamic moduli significantly (by 5 times at room temperature). It retards the decay temperature (by 10 °C) of the dynamic moduli during heating as well. The thermal rheological hysteresis observed during heating-cooling temperature sweeps is ascribed to the melting-recrystallization of the PEG segments. Meanwhile, the IL and NIL express accelerated crystallization behavior in comparison with the oligomeric anion. For the first time, we find that ILs and NILs are able to form nanoparticle-containing spherulites at room temperature after long time aging.

Horizontal bridges in polar dielectric liquids

Energy Technology Data Exchange (ETDEWEB)

Woisetschlaeger, Jakob [Graz University of Technology, Experimental Turbomachinery Research and Optical Measurement Group, Institute for Thermal Turbomachinery and Machine Dynamics, Graz (Austria); Wexler, Adam D.; Fuchs, Elmar C. [Wetsus, Center of Excellence for Sustainable Water Technology, Leeuwarden (Netherlands); Holler, Gert [Graz University of Technology, Institute of Electrical Measurement and Measurement Signal Processing, Graz (Austria); Eisenhut, Mathias [Graz University of Technology, Institute of Analytical Chemistry and Food Chemistry, Graz (Austria); Gatterer, Karl [Graz University of Technology, Institute of Physical and Theoretical Chemistry, Graz (Austria)

2012-01-15

When a high-voltage direct-current is applied to two beakers filled with polar liquid dielectrica like water or methanol, a horizontal bridge forms between the two beakers. By repeating a version of Pellat's experiment, it is shown that a horizontal bridge is stable by the action of electrohydrodynamic pressure. Thus, the static and dynamic properties of the phenomenon called a 'floating water bridge' can be explained by the gradient of Maxwell pressure, replenishing the liquid within the bridge against any drainage mechanism. It is also shown that a number of liquids can form stable and long horizontal bridges. The stability of such a connection, and the asymmetry in mass flow through such bridges caused by the formation of ion clouds in the vicinity of the electrodes, is also discussed by two further experiments. (orig.)

Development of nanotechnology-based drug delivery systems with olive vegetable oil for cutaneous application

Directory of Open Access Journals (Sweden)

Silas Arandas Monteiro e Silva

Full Text Available ABSTRACT Liquid-Crystalline Systems represent active compounds delivery systems that may be able to overcome the physical barrier of the skin, especially represented by the stratum corneum. To obtain these systems, aqueous and oily components are used with surfactants. Of the different association structures in such systems, the liquid-crystalline offer numerous advantages to a topical product. This manuscript presents the development of liquid-crystalline systems consisting, in which the oil component is olive oil, its rheological characterizations, and the location of liquid crystals in its phase map. Cytotoxic effects were evaluated using J-774 mouse macrophages as the cellular model. A phase diagram to mix three components with different proportions was constructed. Two liquid crystalline areas were found with olive oil in different regions in the ternary diagram with two nonionic surfactants, called SLC1 (S1 and SLC2 (S2. These systems showed lamellar liquid crystals that remained stable during the entire analysis time. The systems were also characterized rheologically with pseudoplastic behavior without thixotropy. The texture and bioadhesion assays showed that formulations were similar statistically (p < 0.05, indicating that the increased amount of water in S2 did not interfere with the bioadhesive properties of the systems. In vitro cytotoxic assays showed that formulations did not present cytotoxicity. Olive oil-based systems may be a promising platform for skin delivery of drugs.

Au55, a stable glassy cluster: results of ab initio calculations

Directory of Open Access Journals (Sweden)

Dieter Vollath

2017-10-01

Full Text Available Structure and properties of small nanoparticles are still under discussion. Moreover, some thermodynamic properties and the structural behavior still remain partially unknown. One of the best investigated nanoparticles is the Au55 cluster, which has been analyzed experimentally and theoretically. However, up to now, the results of these studies are still inconsistent. Consequently, we have carried out the present ab initio study of the Au55 cluster, using up-to-date computational concepts, in order to clarify these issues. Our calculations have confirmed the experimental result that the thermodynamically most stable structure is not crystalline, but it is glassy. The non-crystalline structure of this cluster was validated by comparison of the coordination numbers with those of a crystalline cluster. It was found that, in contrast to bulk materials, glass formation is connected to an energy release that is close to the melting enthalpy of bulk gold. Additionally, the surface energy of this cluster was calculated using two different theoretical approaches resulting in values close to the surface energy for bulk gold. It shall be emphasized that it is now possible to give a confidence interval for the value of the surface energy.

Structural variations in nanosized confined gallium

Energy Technology Data Exchange (ETDEWEB)

Lee, Min Kai [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China); Tien Cheng [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China)] [Center for Micro/Nano Science of Technology, National Cheng Kung University, Tainan 70101, Taiwan, ROC (China); Charnaya, E.V., E-mail: charnaya@live.co [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China)] [Institute of Physics, St. Petersburg State University, St. Petersburg, Petrodvorets 198504 (Russian Federation); Sheu, Hwo-Shuenn [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Kumzerov, Yu.A. [A.F. Ioffe Physico-Technical Institute RAS, St. Petersburg, 194021 (Russian Federation)

2010-03-29

The complex crystalline structure of gallium under nanoconfinement was revealed by synchrotron radiation x-ray powder diffraction. Nanoconfinement was shown to stabilize delta-Ga which is metastable in bulk. Two new gallium phases named iota- and kappa-Ga were found upon cooling below room temperature. These crystalline modifications were stable and coexisted with known gallium phases. Correlations between confined gallium particle shapes and emergence of particular crystalline phases were observed. Melting and freezing temperatures for different gallium phases were obtained. Remarkable supercooling of liquid gallium was seen in 3.5 nm pores.

The structure of the solid-liquid interface: atomic size effect

International Nuclear Information System (INIS)

Geysermans, P.; Pontikis, V.

2002-01-01

The atomic structure of the solid-liquid heterophase interface was investigated by using molecular dynamics. Two kinds of systems were studied; the first one was crystalline copper with (100) and (111) surface terminations in contact with liquid aluminium, while in the second one the interface was modelled by two systems in contact made of Lennard-Jones particles with different size (σ) and energy (ε) parameters. We found that at the interface the liquid was layered whatever the crystallographic orientation of the surface. The layering of the liquid is still preserved when the ratio of particles sites (χ=σ 1 /σ 2 ) changes while an epitaxial relationship is always found between the crystal and the first liquid layer. The average density of the latter is closely related to the χ value. (authors)

Rice starch granule amylolysis--differentiating effects of particle size, morphology, thermal properties and crystalline polymorph.

Science.gov (United States)

Dhital, Sushil; Butardo, Vito M; Jobling, Stephen A; Gidley, Michael J

2015-01-22

The underlying mechanism of amylolysis of rice starch granules was investigated using isolated starch granules from wild-type, as well as SBEIIb mutant and down-regulated lines. Fused granule agglomerates isolated from mutant and transgenic lines were hydrolysed at similar rates by amylases, and had similar crystalline patterns and thermal properties as individual granules. Surface pores, a feature previously only reported for A-polymorphic starch granules, were also observed in B- and C-polymorphic rice starch granules. Although the microscopic patterns of hydrolysis among granules with different crystalline polymorphs were qualitatively similar, the extent and the rate of amylolysis were different, suggesting that B-type crystalline polymorphs are intrinsically more resistant to enzymatic hydrolysis than A-type in rice starch granules. It is proposed that the slightly longer branch lengths of amylopectin which leads to the formation of more stable B-type double helical structures compared to their A-type counterparts is the major parameter, with other factors such as granule size, surface pores and interior channels having secondary roles, in determining the rate of enzymatic hydrolysis of rice starch granules. Copyright © 2014 Elsevier Ltd. All rights reserved.

Light-emitting liquid-crystal displays constructed from AIE luminogens

Science.gov (United States)

Zhao, Dongyu; Qin, Anjun; Tang, Ben Zhong; Leung, Chris Wai Tung

2014-10-01

Liquid crystal displays (LCDs) are widely used for diverse purposes in many aspects in daily life from handle personal devices to professional applications and large-panel LCD televisions. Since LCD is a passive emission display device, it usually shows narrow viewing angle and reduced brightness. Nowadays, LCDs with light-emitting properties is suggested as a less energy consuming displays. To date, fluorescent materials with dichroic properties and strong fluorescence emission are required. However, many molecular emitters, which are highly efficient in solution, will suffer from heavy aggregation-caused quenching (ACQ) effect in the aggregate state, which has greatly limited their applications. In order to overcome these weaknesses, we have designed and synthesized a novel luminescent liquid crystalline compound consisting of a tetraphenylethene (TPE) core, TPE-PPE, as a luminogen with mesogenic moieties. As a result, the TPE-PPE exhibits both the aggregate-induced emission (AIE) and thermotropic liquid crystalline characteristics. By dissolving 1 weight% (wt%) of TPE-PPE into the nematic LC host PA0182, a linearly polarized emission was obtained on the unidirectional orientated LC cell. The photoluminescence polarization ratio of the LC cell has reached to 4.16 between the directions perpendicular and parallel to the rubbing direction. Utilizing the emissive anisotropic TPE-PPE, we have fabricated the photoluminescent liquid crystal display (PL-LCD). This approach has simplified the device design, lowered the energy consumption and increased brightness of the LCD.

Dissolution of crystalline ceramics

International Nuclear Information System (INIS)

White, W.B.

1982-01-01

The present program objectives are to lay out the fundamentals of crystalline waste form dissolution. Nuclear waste ceramics are polycrystalline. An assumption of the work is that to the first order, the release rate of a particular radionuclide is the surface-weighted sum of the release rates of the radionuclide from each crystalline form that contains it. In the second order, of course, there will be synergistic effects. There will be also grain boundary and other microstructural influences. As a first approximation, we have selected crystalline phases one at a time. The sequence of investigations and measurements is: (i) Identification of the actual chemical reactions of dissolution including identification of the solid reaction products if such occur. (ii) The rates of these reactions are then determined empirically to give what may be called macroscopic kinetics. (iii) Determination of the rate-controlling mechanisms. (iv) If the rate is controlled by surface reactions, the final step would be to determine the atomic kinetics, that is the specific atomic reactions that occur at the dissolving interface. Our concern with the crystalline forms are in two areas: The crystalline components of the reference ceramic waste form and related ceramics and the alumino-silicate phases that appear in some experimental waste forms and as waste-rock interaction products. Specific compounds are: (1) Reference Ceramic Phases (zirconolite, magnetoplumbite, spinel, Tc-bearing spinel and perovskite); (2) Aluminosilicate phases (nepheline, pollucite, CsAlSi 5 O 12 , Sr-feldspar). 5 figures, 1 table

Form-stable paraffin/high density polyethylene composites as solid-liquid phase change material for thermal energy storage: preparation and thermal properties

International Nuclear Information System (INIS)

Sari, Ahmet

2004-01-01

This paper deals with the preparation of paraffin/high density polyethylene (HDPE) composites as form-stable, solid-liquid phase change material (PCM) for thermal energy storage and with determination of their thermal properties. In such a composite, the paraffin (P) serves as a latent heat storage material and the HDPE acts as a supporting material, which prevents leakage of the melted paraffin because of providing structural strength. Therefore, it is named form-stable composite PCM. In this study, two kinds of paraffins with melting temperatures of 42-44 deg. C (type P1) and 56-58 deg. C (type P2) and latent heats of 192.8 and 212.4 J g -1 were used. The maximum weight percentage for both paraffin types in the PCM composites without any seepage of the paraffin in the melted state were found as high as 77%. It is observed that the paraffin is dispersed into the network of the solid HDPE by investigation of the structure of the composite PCMs using a scanning electronic microscope (SEM). The melting temperatures and latent heats of the form-stable P1/HDPE and P2/HDPE composite PCMs were determined as 37.8 and 55.7 deg. C, and 147.6 and 162.2 J g -1 , respectively, by the technique of differential scanning calorimetry (DSC). Furthermore, to improve the thermal conductivity of the form-stable P/HDPE composite PCMs, expanded and exfoliated graphite (EG) by heat treatment was added to the samples in the ratio of 3 wt.%. Thereby, the thermal conductivity was increased about 14% for the form-stable P1/HDPE and about 24% for the P2/HDPE composite PCMs. Based on the results, it is concluded that the prepared form-stable P/HDPE blends as composite type PCM have great potential for thermal energy storage applications in terms of their satisfactory thermal properties and improved thermal conductivity. Furthermore, these composite PCMs added with EG can be considered cost effective latent heat storage materials since they do not require encapsulation and extra cost to enhance

Coexistence of monatomic and diatomic molecular fluid character in liquid gallium

Energy Technology Data Exchange (ETDEWEB)

Gong, X.G. (International Centre for Theoretical Physics (ICTP), Trieste (Italy)); Chiarotti, G.L. (International School for Advanced Studies (SISSA), Trieste (Italy) Lab. Tecnologie Avanzate Superfici e Catalisi (TASC), Consorzio Interuniv. Nazionale per la Fisica della Materia (INFM), Trieste (Italy)); Parrinello, M. (IBM Research Div., Zurich Forschungslab., Rueschlikon (Switzerland) International School for Advanced Studies (SISSA), Trieste (Italy)); Tosatti, E. (International School for Advanced Studies (SISSA), Trieste (Italy) International Centre for Theoretical Physics (ICTP), Trieste (Italy) IBM Research Div., Zurich Forschungslab., Rueschlikon (Switzerland))

1993-02-01

We have performed an ab initio molecular-dynamics simulation of liquid Ga at high temperature (1000 K). Our results are in good agreement with scattering data and with Knight-shift experiments. A remarkable feature of our findings is the coexistence in the liquid state of metallic and covalent characters. Covalency manifests itself in the appearance of very short-lived Ga-Ga bonds, which represent remnants in the liquid of the crystalline form [alpha]-Ga. We set up a two-fluid scheme which can be used for the analysis of fluids where metallic and covalent characters coexist. (orig.).

Coexistence of monatomic and diatomic molecular fluid character in liquid gallium

International Nuclear Information System (INIS)

Gong, X.G.; Chiarotti, G.L.; Parrinello, M.; Tosatti, E.

1993-01-01

We have performed an ab initio molecular-dynamics simulation of liquid Ga at high temperature (1000 K). Our results are in good agreement with scattering data and with Knight-shift experiments. A remarkable feature of our findings is the coexistence in the liquid state of metallic and covalent characters. Covalency manifests itself in the appearance of very short-lived Ga-Ga bonds, which represent remnants in the liquid of the crystalline form α-Ga. We set up a two-fluid scheme which can be used for the analysis of fluids where metallic and covalent characters coexist. (orig.)

Utilization of stable isotopes in medicine

International Nuclear Information System (INIS)

1980-11-01

The ten lectures given at this round table are presented together with a discussion. Five lectures, relating to studies in which deuterium oxide was employed as a tracer of body water, dealt with pulmonary water measurements in man and animals, the total water pool in adipose subjects, and liquid compartments in children undergoing hemodyalisis. The heavy water is analysed by infrared spectrometry and a new double spectrodoser is described. Two studies using 13 C as tracer, described the diagnosis of liver troubles and diabetes respectively. A general review of the perspectives of the application of stable isotopes in clinical medicine is followed by a comparison of the use of stable and radioactive isotopes in France [fr

Protic Cationic Oligomeric Ionic Liquids of the Urethane Type

DEFF Research Database (Denmark)

Shevchenko, V. V.; Stryutsky, A. V.; Klymenko, N. S.

2014-01-01

Protic oligomeric cationic ionic liquids of the oligo(ether urethane) type are synthesized via the reaction of an isocyanate prepolymer based on oligo(oxy ethylene)glycol with M = 1000 with hexamethylene-diisocyanate followed by blocking of the terminal isocyanate groups with the use of amine...... derivatives of imidazole, pyridine, and 3-methylpyridine and neutralization of heterocycles with ethanesulfonic acid and p-toluenesulfonic acid. The structures and properties of the synthesized oligomeric ionic liquids substantially depend on the structures of the ionic groups. They are amorphous at room...... temperature, but ethanesulfonate imidazolium and pyridinium oligomeric ionic liquids form a low melting crystalline phase. The proton conductivities of the oligomeric ionic liquids are determined by the type of cation in the temperature range 80-120 degrees C under anhydrous conditions and vary within five...

Diverse topics in crystalline beams

International Nuclear Information System (INIS)

Wei, Jie; Draeseke, A.; Sessler, A.M.; Li, Xiao-Ping

1995-01-01

Equations of motion are presented, appropriate to interacting charged particles of diverse charge and mass, subject to the external forces produced by various kinds of magnetic fields and radio-frequency (rf) electric fields in storage rings. These equations are employed in the molecular dynamics simulations to study the properties of crystalline beams. The two necessary conditions for the formation and maintenance of crystalline beams are summarized. The transition from ID to 2D, and from 2D to 3D is explored, and the scaling behavior of the heating rates is discussed especially in the high temperature limit. The effectiveness of various cooling techniques in achieving crystalline states has been investigated. Crystalline beams made of two different species of ions via sympathetic cooling are presented, as well as circulating ''crystal balls'' bunched in all directions by magnetic focusing and rf field. By numerically reconstructing the original experimental conditions of the NAP-M ring, it is found that only at extremely low beam intensities, outside of the range of the original measurement, proton particles can form occasionally-passing disks. The proposed New ASTRID ring is shown to be suitable for the formation and maintenance of crystalline beams of all dimensions

Holographic recording in thiophene-based polyester

DEFF Research Database (Denmark)

Matharu, Avtar Singh; Chambers-Asman, David; Jeeva, Shehzad

2008-01-01

The synthesis and optical data storage properties of a side-chain thiophene-phenyl azopolyester ThPhAzoP.ol is reported. The polyester is derived from diphenyl tetradecanedioate and a thiophenebased liquid crystalline diol which exhibits a short-lived enantiotropic SmA phase (Cryst 177.7 SmA 180.......4 I). The polyester ThPhAzoPol exhibits amorphous (Tg, 78.6 DC), crystalline and liquid crystalline character as evidenced by differential scanning calorimetry and thermal polarising microscopy. A grainy texture, which is thermally reversible, with increasing birefringence on cooling from...... the isotropic melt is observed. The polyester is amenable to optical data storage, showing efficient induced anisotropy, which is stable at room temperature. Polarisation gratings can be inscribed using orthogonally.linear and circularly polarised light to good effect (>10/0) and surface relief gratings...

The impact of liquidity on bank profitability

OpenAIRE

Bordeleau, Etienne; Graham, Christopher

2010-01-01

The recent crisis has underlined the importance of sound bank liquidity management. In response, regulators are devising new liquidity standards with the aim of making the financial system more stable and resilient. In this paper, the authors analyse the impact of liquid asset holdings on bank profitability for a sample of large U.S. and Canadian banks. Results suggest that profitability is improved for banks that hold some liquid assets, however, there is a point at which holding further liq...

Neutron transmission through crystalline Fe

International Nuclear Information System (INIS)

Adib, M.; Habib, N.; Kilany, M.; El-Mesiry, M.S.

2004-01-01

The neutron transmission through crystalline Fe has been calculated for neutron energies in the range 10 4 < E<10 eV using an additive formula. The formula permits calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-section as a function of temperature and crystalline form. The obtained agreement between the calculated values and available experimental ones justifies the applicability of the used formula. A feasibility study on using poly-crystalline Fe as a cold neutron filter and a large Fe single crystal as a thermal one is given

Production of crystalline refractory metal oxides containing colloidal metal precipitates and useful as solar-effective absorbers

Science.gov (United States)

Narayan, Jagdish; Chen, Yok

1983-01-01

This invention is a new process for producing refractory crystalline oxides having improved or unusual properties. The process comprises the steps of forming a doped-metal crystal of the oxide; exposing the doped crystal in a bomb to a reducing atmosphere at superatmospheric pressure and a temperature effecting precipitation of the dopant metal in the crystal lattice of the oxide but insufficient to effect net diffusion of the metal out of the lattice; and then cooling the crystal. Preferably, the cooling step is effected by quenching. The process forms colloidal precipitates of the metal in the oxide lattice. The process may be used, for example, to produce thermally stable black MgO crystalline bodies containing magnetic colloidal precipitates consisting of about 99% Ni. The Ni-containing bodies are solar-selective absorbers, having a room-temperature absorptivity of about 0.96 over virtually all of the solar-energy spectrum and exhibiting an absorption edge in the region of 2 .mu.m. The process parameters can be varied to control the average size of the precipitates. The process can produce a black MgO crystalline body containing colloidal Ni precipitates, some of which have the face-centered-cubic structure and others of which have the body-centered cubic structure. The products of the process are metal-precipitate-containing refractory crystalline oxides which have improved or unique optical, mechanical, magnetic, and/or electronic properties.

Time-resolved crystallization of deeply cooled liquid hydrogen isotopes

Energy Technology Data Exchange (ETDEWEB)

Kuehnel, Matthias

2014-02-15

This thesis serves two main purposes: 1. The introduction of a novel experimental method to investigate phase change dynamics of supercooled liquids 2. First-time measurements for the crystallization behaviour for hydrogen isotopes under various conditions (1) The new method is established by the synergy of a liquid microjet of ∼ 5 μm diameter and a scattering technique with high spatial resolution, here linear Raman spectroscopy. Due to the high directional stability and the known velocity of the liquid filament, its traveling axis corresponds to a time axis static in space. Utilizing evaporative cooling in a vacuum environment, the propagating liquid cools down rapidly and eventually experiences a phase transition to the crystalline state. This temporal evolution is probed along the filament axis, ultimately resulting in a time resolution of 10 ns. The feasibility of this approach is proven successfully within the following experiments. (2) A main object of study are para-hydrogen liquid filaments. Raman spectra reveal a temperature gradient of the liquid across the filament. This behaviour can quantitatively be reconstructed by numerical simulations using a layered model and is rooted in the effectiveness of evaporative cooling on the surface and a finite thermal conductivity. The deepest supercoolings achieved are ∼ 30% below the melting point, at which the filament starts to solidify from the surface towards the core. With a crystal growth velocity extracted from the data the appropriate growth mechanism is identified. The crystal structure that initially forms is metastable and probably the result of Ostwald's rule of stages. Indications for a transition within the solid towards the stable equilibrium phase support this interpretation. The analog isotope ortho-deuterium is evidenced to behave qualitatively similar with quantitative differences being mass related. In further measurements, isotopic mixtures of para-hydrogen and ortho-deuterium are

Time-resolved crystallization of deeply cooled liquid hydrogen isotopes

International Nuclear Information System (INIS)

Kuehnel, Matthias

2014-02-01

This thesis serves two main purposes: 1. The introduction of a novel experimental method to investigate phase change dynamics of supercooled liquids 2. First-time measurements for the crystallization behaviour for hydrogen isotopes under various conditions (1) The new method is established by the synergy of a liquid microjet of ∼ 5 μm diameter and a scattering technique with high spatial resolution, here linear Raman spectroscopy. Due to the high directional stability and the known velocity of the liquid filament, its traveling axis corresponds to a time axis static in space. Utilizing evaporative cooling in a vacuum environment, the propagating liquid cools down rapidly and eventually experiences a phase transition to the crystalline state. This temporal evolution is probed along the filament axis, ultimately resulting in a time resolution of 10 ns. The feasibility of this approach is proven successfully within the following experiments. (2) A main object of study are para-hydrogen liquid filaments. Raman spectra reveal a temperature gradient of the liquid across the filament. This behaviour can quantitatively be reconstructed by numerical simulations using a layered model and is rooted in the effectiveness of evaporative cooling on the surface and a finite thermal conductivity. The deepest supercoolings achieved are ∼ 30% below the melting point, at which the filament starts to solidify from the surface towards the core. With a crystal growth velocity extracted from the data the appropriate growth mechanism is identified. The crystal structure that initially forms is metastable and probably the result of Ostwald's rule of stages. Indications for a transition within the solid towards the stable equilibrium phase support this interpretation. The analog isotope ortho-deuterium is evidenced to behave qualitatively similar with quantitative differences being mass related. In further measurements, isotopic mixtures of para-hydrogen and ortho-deuterium are

Time-resolved crystallization of deeply cooled liquid hydrogen isotopes

Energy Technology Data Exchange (ETDEWEB)

Kuehnel, Matthias

2014-02-15

This thesis serves two main purposes: 1. The introduction of a novel experimental method to investigate phase change dynamics of supercooled liquids 2. First-time measurements for the crystallization behaviour for hydrogen isotopes under various conditions (1) The new method is established by the synergy of a liquid microjet of ∼ 5 μm diameter and a scattering technique with high spatial resolution, here linear Raman spectroscopy. Due to the high directional stability and the known velocity of the liquid filament, its traveling axis corresponds to a time axis static in space. Utilizing evaporative cooling in a vacuum environment, the propagating liquid cools down rapidly and eventually experiences a phase transition to the crystalline state. This temporal evolution is probed along the filament axis, ultimately resulting in a time resolution of 10 ns. The feasibility of this approach is proven successfully within the following experiments. (2) A main object of study are para-hydrogen liquid filaments. Raman spectra reveal a temperature gradient of the liquid across the filament. This behaviour can quantitatively be reconstructed by numerical simulations using a layered model and is rooted in the effectiveness of evaporative cooling on the surface and a finite thermal conductivity. The deepest supercoolings achieved are ∼ 30% below the melting point, at which the filament starts to solidify from the surface towards the core. With a crystal growth velocity extracted from the data the appropriate growth mechanism is identified. The crystal structure that initially forms is metastable and probably the result of Ostwald's rule of stages. Indications for a transition within the solid towards the stable equilibrium phase support this interpretation. The analog isotope ortho-deuterium is evidenced to behave qualitatively similar with quantitative differences being mass related. In further measurements, isotopic mixtures of para-hydrogen and ortho-deuterium are

Crystalline-Amorphous Core−Shell Silicon Nanowires for High Capacity and High Current Battery Electrodes

KAUST Repository

Cui, Li-Feng

2009-01-14

Silicon is an attractive alloy-type anode material for lithium ion batteries because of its highest known capacity (4200 mAh/g). However silicon\\'s large volume change upon lithium insertion and extraction, which causes pulverization and capacity fading, has limited its applications. Designing nanoscale hierarchical structures is a novel approach to address the issues associated with the large volume changes. In this letter, we introduce a core-shell design of silicon nanowires for highpower and long-life lithium battery electrodes. Silicon crystalline- amorphous core-shell nanowires were grown directly on stainless steel current collectors by a simple one-step synthesis. Amorphous Si shells instead of crystalline Si cores can be selected to be electrochemically active due to the difference of their lithiation potentials. Therefore, crystalline Si cores function as a stable mechanical support and an efficient electrical conducting pathway while amorphous shells store Li ions. We demonstrate here that these core-shell nanowires have high charge storage capacity (̃1000 mAh/g, 3 times of carbon) with ̃90% capacity retention over 100 cycles. They also show excellent electrochemical performance at high rate charging and discharging (6.8 A/g, ̃20 times of carbon at 1 h rate). © 2009 American Chemical Society.

Stable solar-driven oxidation of water by semiconducting photoanodes protected by transparent catalytic nickel oxide films.

Science.gov (United States)

Sun, Ke; Saadi, Fadl H; Lichterman, Michael F; Hale, William G; Wang, Hsin-Ping; Zhou, Xinghao; Plymale, Noah T; Omelchenko, Stefan T; He, Jr-Hau; Papadantonakis, Kimberly M; Brunschwig, Bruce S; Lewis, Nathan S

2015-03-24

Reactively sputtered nickel oxide (NiOx) films provide transparent, antireflective, electrically conductive, chemically stable coatings that also are highly active electrocatalysts for the oxidation of water to O2(g). These NiOx coatings provide protective layers on a variety of technologically important semiconducting photoanodes, including textured crystalline Si passivated by amorphous silicon, crystalline n-type cadmium telluride, and hydrogenated amorphous silicon. Under anodic operation in 1.0 M aqueous potassium hydroxide (pH 14) in the presence of simulated sunlight, the NiOx films stabilized all of these self-passivating, high-efficiency semiconducting photoelectrodes for >100 h of sustained, quantitative solar-driven oxidation of water to O2(g).

High-energy green supercapacitor driven by ionic liquid electrolytes as an ultra-high stable next-generation energy storage device

Science.gov (United States)

Thangavel, Ranjith; Kannan, Aravindaraj G.; Ponraj, Rubha; Thangavel, Vigneysh; Kim, Dong-Won; Lee, Yun-Sung

2018-04-01

Development of supercapacitors with high energy density and long cycle life using sustainable materials for next-generation applications is of paramount importance. The ongoing challenge is to elevate the energy density of supercapacitors on par with batteries, while upholding the power and cyclability. In addition, attaining such superior performance with green and sustainable bio-mass derived compounds is very crucial to address the rising environmental concerns. Herein, we demonstrate the use of watermelon rind, a bio-waste from watermelons, towards high energy, and ultra-stable high temperature green supercapacitors with a high-voltage ionic liquid electrolyte. Supercapacitors assembled with ultra-high surface area, hierarchically porous carbon exhibits a remarkable performance both at room temperature and at high temperature (60 °C) with maximum energy densities of ∼174 Wh kg-1 (25 °C), and 177 Wh kg-1 (60 °C) - based on active mass of both electrodes. Furthermore, an ultra-high specific power of ∼20 kW kg-1 along with an ultra-stable cycling performance with 90% retention over 150,000 cycles has been achieved even at 60 °C, outperforming supercapacitors assembled with other carbon based materials. These results demonstrate the potential to develop high-performing, green energy storage devices using eco-friendly materials for next generation electric vehicles and other advanced energy storage systems.

Analysis of XFEL serial diffraction data from individual crystalline fibrils

Directory of Open Access Journals (Sweden)

David H. Wojtas

2017-11-01

Full Text Available Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. The advantages of this technique should allow structural studies of fibrous systems in biology that are inaccessible using existing techniques.

The make up of crystalline bedrock - crystalline body and blocks

International Nuclear Information System (INIS)

Huber, M.; Huber, A.

1986-01-01

Statements of a geological nature can be made on the basis of investigations of the bedrock exposed in southern Black Forest and these can, in the form of prognoses, be applied to the crystalline Basement of northern Switzerland. Such statements relate to the average proportions of the main lithological groups at the bedrock surface and the surface area of the granite body. Some of the prognoses can be compared and checked with the results from the deep drilling programme in northern Switzerland. Further, analogical interferences from the situation in the southern Black Forest allow predictions to be made on the anticipated block structure of the crystalline Basement. (author)

Structural, optical and mechanical properties of amorphous and crystalline alumina thin films

Energy Technology Data Exchange (ETDEWEB)

Nayar, Priyanka [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India); Khanna, Atul, E-mail: akphysics@yahoo.com [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India); Kabiraj, D.; Abhilash, S.R. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Beake, Ben D.; Losset, Yannick [Micro Materials Limited, Unit 3, Wrexham Technology Park, Wrexham LL13 7YP (United Kingdom); Chen, Banghao [Chemistry and Biochemistry Department, Florida State University, Tallahassee 32306 (United States)

2014-10-01

Thin films of amorphous alumina of thickness 350 nm were deposited on fused silica substrates by electron beam evaporation. Amorphous films were annealed at several temperatures in the range: 400–1130 °C and changes in film crystallinity, short-range structure, optical and mechanical properties were studied. X-ray diffraction studies found that crystallization starts at 800 °C and produces γ and δ-alumina, the latter phase grows with heat treatment and the sample was mostly δ and θ-alumina after annealing at 1130 °C. The as-deposited amorphous alumina films have low hardness of 5 to 8 GPa, which increases to 11 to 12 GPa in crystalline sample. {sup 27}Al Magic Angle Spinning Nuclear Magnetic Resonance was used to study the short-range order of amorphous and crystalline alumina films and it was found that amorphous alumina film contains AlO{sub 5} and AlO{sub 4} structural units in the ratio of 1:2. The concentration of AlO{sub 5} was significantly suppressed in crystalline film, which contains 48% of Al{sup 3+} ions in AlO{sub 6}, 7% in AlO{sub 5} and 45% in AlO{sub 4} units. - Highlights: • Structure–property correlations in alumina films grown by electron-beam evaporation • Amorphous films crystallize into γ and δ-alumina on annealing in air at 800 °C. • δ and θ-alumina films are stable up to 1130 °C and do not transform to α-phase. • Amorphous alumina films contain {sup [5]}Al and {sup [4]}Al structural units in the ratio of 1:2. • {sup [5]}Al decreases whereas {sup [6]}Al concentration increases on crystallization.

Pengaruh Kecepatan Pendinginan Terhadap Perubahan Volume Leburan Polymer Crystalline dan Non-Crystalline

OpenAIRE

Fahrurrozi, Mohammad; Moristanto, Bagus Senowulung dan

2003-01-01

AbstractThe study was directed to develop a method to predict the influence of the rate of cooling to the degree of crystallittitv (DOC) and volume change of crystalline polymers. Crystalline polymer melts exhibit volume shrinkage on cooling below melting point due to crystallization. Crystallization and volunrc shrinkage will proceed with varies rate as long as the temperature is above the glass tansition temperatrre. DOC achieved by polymer is not only determined by the inherent crystallini...

Light and current induced degradation in p-type multi-crystalline cells and development of an inspection method and a stabilization method

Energy Technology Data Exchange (ETDEWEB)

Broek, K.M.; Bennett, I.J.; Jansen, M.J.; Borg, Van der N.J.C.M.; Eerenstein, W. [ECN Solar Energy, Petten (Netherlands)

2012-09-15

Stable solar cells are needed for durability testing of different combinations of module materials. In such a test, significant power losses in full-size modules with multi-crystalline cells after thermal cycling have been observed. This has been related to degradation of the solar cells used and it appeared that this was caused by current induced degradation. This phenomenon is not limited to boron doped Cz-Si, but can also occur in p-type multi-crystalline silicon. Work was done to develop an incoming inspection method for new batches of cells. Also, stabilisation procedures for modules containing cells that are sensitive to degradation have been determined.

Beyer's non-linearity parameter (B/A) in benzylidene aniline Schiff base liquid crystalline systems

International Nuclear Information System (INIS)

Nagi Reddy, M.V.V.; Pisipati, V.G.K.M.; Madhavi Latha, D.; Datta Prasad, P.V.

2011-01-01

The non-linearity parameter B/A is estimated for a number of liquid crystal materials of the type N-(p-n-alkoxy benzylidene)-p-n-alkyl anilines, popularly known as nO.m, where n and m are the aliphatic chains on either side of the rigid core, which can be varied from 1 to 18 to realize a number of LC materials with a variety LC phase variants. The B/A values are computed from both density and sound velocity data following standard relations reported in literature. This systematic study in a homologous series provides an opportunity to study how this parameter behaves with (1) either the alkoxy and/or alkyl chain number, (2) with the total chain number (n+m), (3) with increase in molecular weight and (4) whether the linear relations reported in literature either with αT [thermal expansion coefficient (α) and temperature (T)] and sound velocity (u) will hold good or not and if so to what extent. The results are discussed with the body of data available in literature on liquids, liquid mixtures and other LC materials. -- Research highlights: → The Bayer's non-linearity parameter (B/A) is estimated for the first time for a number liquid crystal materials of the type N-(p-n-alkoxy benzylidene)-p-nalkyl anilines. → The magnitude of B/A estimated from sound velocity data is higher compared to that estimated thermal expansion data. → The B/A value decreases with increase in molecular weight with an even odd fashion and reaches a minimum value and saturates. → These studies reveal that both the thermal expansion coefficient and sound velocity are the tools to estimate the non-linear parameter B/A in the case of liquid crystals.

Development and characterization of p1025-loaded bioadhesive liquid-crystalline system for the prevention of Streptococcus mutans biofilms

Directory of Open Access Journals (Sweden)

Calixto GMF

2017-12-01

Full Text Available Giovana Maria Fioramonti Calixto,1 Cristiane Duque,2 Kelly Limi Aida,2 Vanessa Rodrigues dos Santos,2 Loiane Massunari,2 Marlus Chorilli1 1School of Pharmaceutical Sciences, São Paulo State University (UNESP, Araraquara, Brazil; 2School of Dentistry, São Paulo State University (UNESP, Araçatuba, Brazil Abstract: Formation of a dental biofilm by Streptococcus mutans can cause dental caries, and remains a costly health problem worldwide. Recently, there has been a growing interest in the use of peptidic drugs, such as peptide p1025, analogous to the fragments 1025–1044 of S. mutans cellular adhesin, responsible for the adhesion and formation of dental biofilm. However, peptides have physicochemical characteristics that may affect their biological action, limiting their clinical performance. Therefore, drug-delivery systems, such as a bioadhesive liquid-crystalline system (LCS, may be attractive strategies for peptide delivery. Potentiation of the action of LCS can be achieved with the use of bioadhesive polymers to prolong their residence on the teeth. In line with this, three formulations – polyoxypropylene-(5-polyoxyethylene-(20-cetyl alcohol, oleic acid, and Carbopol C974P in different combinations (F1C, F2C, and F3C were developed to observe the influence of water in the LCS, with the aim of achieving in situ gelling in the oral environment. These formulations were assessed by polarized light microscopy, small-angle X-ray scattering, rheological analysis, and in vitro bioadhesion analysis. Then, p1025 and a control (chlorhexidine were incorporated into the aqueous phase of the formulation (F + p1025 and F + chlorhexidine, to determine their antibiofilm effect and toxicity on epithelial cells. Polarized light microscopy and small-angle X-ray scattering showed that F1C and F2C were LCS, whereas F3C was a microemulsion. F1C and F2C showed pseudoplastic behavior and F3C Newtonian behavior. F1C showed the highest elastic and bioadhesive

Tuning metal–carboxylate coordination in crystalline metal–organic frameworks through surfactant media

Energy Technology Data Exchange (ETDEWEB)

Gao, Junkuo [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Ye, Kaiqi [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012 (China); He, Mi [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Xiong, Wei-Wei; Cao, Wenfang; Lee, Zhi Yi [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Yue [State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012 (China); Wu, Tom [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Huo, Fengwei [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Liu, Xiaogang [Department of Chemistry, National University of Singapore, Singapore 117543 (Singapore); Institute of Materials Research Engineering, Agency for Science, Technology and Research, Singapore 117602 (Singapore); Zhang, Qichun, E-mail: qczhang@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore)

2013-10-15

Although it has been widely demonstrated that surfactants can efficiently control the size, shape and surface properties of micro/nanocrystals of metal–organic frameworks (MOFs) due to the strong interactions between surfactants and crystal facets of MOFs, the use of surfactants as reaction media to grow MOF single crystals is unprecedented. In addition, compared with ionic liquids, surfactants are much cheaper and can have multifunctional properties such as acidic, basic, neutral, cationic, anionic, or even block. These factors strongly motivate us to develop a new synthetic strategy: growing crystalline MOFs in surfactants. In this report, eight new two-dimensional (2D) or three-dimensional (3D) MOFs have been successfully synthesized in an industrially-abundant and environmentally-friendly surfactant: polyethylene glycol-200 (PEG-200). Eight different coordination modes of carboxylates, ranging from monodentate η{sup 1} mode to tetra-donor coordination µ{sub 3}-η{sup 1}:η{sup 2}:η{sup 1} mode, have been founded in our research. The magnetic properties of Co-based MOFs were investigated and MOF NTU-Z6b showed a phase transition with a Curie temperature (T{sub c}) at 5 K. Our strategy of growing crystalline MOFs in surfactant could offer exciting opportunities for preparing novel MOFs with diverse structures and interesting properties. - Graphical abstract: Surfactants have been used as reaction media to grow MOF single crystals for the first time. Eight new two-dimensional or three-dimensional MOFs were successfully synthesized in surfactant polyethylene glycol-200 (PEG-200). Coordination modes of carboxylates up to eight were founded. Our strategy of growing crystalline MOFs in surfactant could offer exciting opportunities for preparing novel MOFs with diverse structures and interesting properties. Display Omitted - Highlights: • Surfactant-thermal synthesis of crystalline metal–organic frameworks. • Eight new 2-D or 3-D metal–organic frameworks

Uniform hexagonal graphene flakes and films grown on liquid copper surface.

Science.gov (United States)

Geng, Dechao; Wu, Bin; Guo, Yunlong; Huang, Liping; Xue, Yunzhou; Chen, Jianyi; Yu, Gui; Jiang, Lang; Hu, Wenping; Liu, Yunqi

2012-05-22

Unresolved problems associated with the production of graphene materials include the need for greater control over layer number, crystallinity, size, edge structure and spatial orientation, and a better understanding of the underlying mechanisms. Here we report a chemical vapor deposition approach that allows the direct synthesis of uniform single-layered, large-size (up to 10,000 μm(2)), spatially self-aligned, and single-crystalline hexagonal graphene flakes (HGFs) and their continuous films on liquid Cu surfaces. Employing a liquid Cu surface completely eliminates the grain boundaries in solid polycrystalline Cu, resulting in a uniform nucleation distribution and low graphene nucleation density, but also enables self-assembly of HGFs into compact and ordered structures. These HGFs show an average two-dimensional resistivity of 609 ± 200 Ω and saturation current density of 0.96 ± 0.15 mA/μm, demonstrating their good conductivity and capability for carrying high current density.

The quest for crystalline ion beams

CERN Document Server

Schramm, U; Bussmann, M; Habs, D

2002-01-01

The phase transition of an ion beam into its crystalline state has long been expected to dramatically influence beam dynamics beyond the limitations of standard accelerator physics. Yet, although considerable improvement in beam cooling techniques has been made, strong heating mechanisms inherent to existing high-energy storage rings have prohibited the formation of the crystalline state in these machines up to now. Only recently, laser cooling of low-energy beams in the table-top rf quadrupole storage ring PAaul Laser cooLing Acceleration System (PALLAS) has lead to the experimental realization of crystalline beams. In this article, the quest for crystalline beams as well as their unique properties as experienced in PALLAS will be reviewed.

Synergic effect of tungstophosphoric acid and sonication for rapid synthesis of crystalline nanocellulose.

Science.gov (United States)

Hamid, Sharifah Bee Abd; Zain, Siti Khadijah; Das, Rasel; Centi, Gabriele

2016-03-15

The utilization of sonication in combination with tungstophosphoric acid (PWA) catalyst reduces dramatically the time of operations from 30h to 10min by using an optimum sonication power of 225W. The basic cellulosic structure is maintained, allowing preparing high-quality nanocellulose. The size of the nanocellulose obtained was in the range from 15 to 35nm in diameter and several hundred nanometers in length, with a high crystallinity of about 88%. The nanocellulose shows a surface charge of -38.2mV which allows to obtaina stable colloidal suspension. The surface tension of the stable, swollen aqueous nanocellulose was close to that of water. These characteristics, together with the fast procedure allowed from the synergic combination of PWA and sonication, evidence the high potential of the proposed method for the industrial production of nanocellulose having the properties required in many applications. Copyright © 2015. Published by Elsevier Ltd.

Crystalline phase, microstructure, and aqueous stability of zirconolite-barium borosilicate glass-ceramics for immobilization of simulated sulfate bearing high-level liquid waste

Science.gov (United States)

Wu, Lang; Xiao, Jizong; Wang, Xin; Teng, Yuancheng; Li, Yuxiang; Liao, Qilong

2018-01-01

The crystalline phase, microstructure, and aqueous stability of zirconolite-barium borosilicate glass-ceramics with different content (0-30 wt %) of simulated sulfate bearing high-level liquid waste (HLLW) were evaluated. The sulfate phase segregation in vitrification process was also investigated. The results show that the glass-ceramics with 0-20 wt% of HLLW possess mainly zirconolite phase along with a small amount baddeleyite phase. The amount of perovskite crystals increases while the amount of zirconolite crystals decreases when the HLLW content increases from 20 to 30 wt%. For the samples with 20-30 wt% HLLW, yellow phase was observed during the vitrification process and it disappeared after melting at 1150 °C for 2 h. The viscosity of the sample with 16 wt% HLLW (HLLW-16) is about 27 dPa·s at 1150 °C. The addition of a certain amount (≤20 wt %) of HLLW has no significant change on the aqueous stability of glass-ceramic waste forms. After 28 days, the 90 °C PCT-type normalized leaching rates of Na, B, Si, and La of the sample HLLW-16 are 7.23 × 10-3, 1.57 × 10-3, 8.06 × 10-4, and 1.23 × 10-4 g·m-2·d-1, respectively.

Intracapsular lens extraction for the treatment of pupillary block glaucoma associated with anterior subluxation of the crystalline lens.

Science.gov (United States)

Kim, Yong Joon; Ha, Seung Joo

2013-01-01

To report a case of pupillary block glaucoma associated with spontaneous crystalline lens subluxation into the anterior chamber in a 34-year-old man. Dry vitrectomy was performed for securing enough retrolental space, and an intracapsular lens extraction was then performed via a corneolimbal incision. Additional endothelial cell damage was avoided with an injection of viscoelastics and gentle extraction of the crystalline lens. After deepening of the anterior chamber, scleral fixation of the intraocular lens was performed with an ab externo technique. Two months after the operation, a well-fixated intraocular lens was observed and intraocular pressure was stable. The postoperative corneal astigmatism was -3.5 dpt, and the patient had a best-corrected visual acuity of 20/25. Postoperative complications included decreased endothelial cell count and sector iris paralysis near the incision site. An anteriorly subluxated crystalline lens can cause pupillary block glaucoma in healthy young adults. To prevent intraoperative complications, intracapsular lens extraction with dry vitrectomy can be a good surgical option. The endothelial cell density should be closely monitored after surgery.

Pressure-induced structural change in liquid GaIn eutectic alloy

DEFF Research Database (Denmark)

Yu, Q.; Ahmad, A. S.; Ståhl, Kenny

2017-01-01

Synchrotron x-ray diffraction reveals a pressure induced crystallization at about 3.4 GPa and a polymorphic transition near 10.3 GPa when compressed a liquid GaIn eutectic alloy up to ~13 GPa at room temperature in a diamond anvil cell. Upon decompression, the high pressure crystalline phase...

Luminescent properties of LuAG:Yb and YAG:Yb single crystalline films grown by Liquid Phase Epitaxy method

International Nuclear Information System (INIS)

Zorenko, Yu; Zorenko, T.; Gorbenko, V.; Voznyak, T.; Popielarski, P.; Batentschuk, M.; Osvet, A.; Brabec, Ch; Kolobanov, V.; Spasky, D.; Fedorov, A.

2016-01-01

In this work, investigation of the spectroscopic parameters of the luminescence of Yb"3"+ ions in single crystalline films of Lu_3Al_5O_1_2 and Y_3Al_5O_1_2 garnets was performed using the synchrotron radiation excitation with the energy in the range of Yb"3"+ charge transitions (CT), exciton range and the onset of interband transitions of these garnets. The basic spectroscopic parameters of the Yb"3"+ CT luminescence in LuAG and YAG hosts were determined and summarized with taking into account the differences in the band gap structure of these garnets. - Highlights: • Single crystalline films of Yb doped LuAG and YAG garnets were grown by LPE method. • Yb"3"+ luminescence of LuAG:Yb and YAG:Yb film were studied using synchrotron radiation. • Basic parameters of Yb"3"+ charge transfer luminescence in LuAG and YAG were determined.

Preparation of Liquid Crystal Networks for Macroscopic Oscillatory Motion Induced by Light.

Science.gov (United States)

Vantomme, Ghislaine; Gelebart, Anne Helene; Broer, Dirk J; Meijer, E W

2017-09-20

A strategy based on doped liquid crystalline networks is described to create mechanical self-sustained oscillations of plastic films under continuous light irradiation. The photo-excitation of dopants that can quickly dissipate light into heat, coupled with anisotropic thermal expansion and self-shadowing of the film, gives rise to the self-sustained deformation. The oscillations observed are influenced by the dimensions and the modulus of the film, and by the directionality and intensity of the light. The system developed offers applications in energy conversion and harvesting for soft-robotics and automated systems. The general method described here consists of creating free-standing liquid crystalline films and characterizing the mechanical and thermal effects observed. The molecular alignment is achieved using alignment layers (rubbed polyimide), commonly used in the display manufacturing industry. To obtain actuators with large deformation, the mesogens are aligned and polymerized in a splay/bend configuration, i.e., with the director of the liquid crystals (LCs) going gradually from planar to homeotropic through the film thickness. Upon irradiation, the mechanical and thermal oscillations obtained are monitored with a high-speed camera. The results are further quantified by image analysis using an image processing program.

Large three-dimensional photonic crystals based on monocrystalline liquid crystal blue phases.

Science.gov (United States)

Chen, Chun-Wei; Hou, Chien-Tsung; Li, Cheng-Chang; Jau, Hung-Chang; Wang, Chun-Ta; Hong, Ching-Lang; Guo, Duan-Yi; Wang, Cheng-Yu; Chiang, Sheng-Ping; Bunning, Timothy J; Khoo, Iam-Choon; Lin, Tsung-Hsien

2017-09-28

Although there have been intense efforts to fabricate large three-dimensional photonic crystals in order to realize their full potential, the technologies developed so far are still beset with various material processing and cost issues. Conventional top-down fabrications are costly and time-consuming, whereas natural self-assembly and bottom-up fabrications often result in high defect density and limited dimensions. Here we report the fabrication of extraordinarily large monocrystalline photonic crystals by controlling the self-assembly processes which occur in unique phases of liquid crystals that exhibit three-dimensional photonic-crystalline properties called liquid-crystal blue phases. In particular, we have developed a gradient-temperature technique that enables three-dimensional photonic crystals to grow to lateral dimensions of ~1 cm (~30,000 of unit cells) and thickness of ~100 μm (~ 300 unit cells). These giant single crystals exhibit extraordinarily sharp photonic bandgaps with high reflectivity, long-range periodicity in all dimensions and well-defined lattice orientation.Conventional fabrication approaches for large-size three-dimensional photonic crystals are problematic. By properly controlling the self-assembly processes, the authors report the fabrication of monocrystalline blue phase liquid crystals that exhibit three-dimensional photonic-crystalline properties.

Stable water isotopologue ratios in fog and cloud droplets of liquid clouds are not size-dependent

Science.gov (United States)

Spiegel, J.K.; Aemisegger, F.; Scholl, M.; Wienhold, F.G.; Collett, J.L.; Lee, T.; van Pinxteren, D.; Mertes, S.; Tilgner, A.; Herrmann, H.; Werner, Roland A.; Buchmann, N.; Eugster, W.

2012-01-01

In this work, we present the first observations of stable water isotopologue ratios in cloud droplets of different sizes collected simultaneously. We address the question whether the isotope ratio of droplets in a liquid cloud varies as a function of droplet size. Samples were collected from a ground intercepted cloud (= fog) during the Hill Cap Cloud Thuringia 2010 campaign (HCCT-2010) using a three-stage Caltech Active Strand Cloud water Collector (CASCC). An instrument test revealed that no artificial isotopic fractionation occurs during sample collection with the CASCC. Furthermore, we could experimentally confirm the hypothesis that the δ values of cloud droplets of the relevant droplet sizes (μm-range) were not significantly different and thus can be assumed to be in isotopic equilibrium immediately with the surrounding water vapor. However, during the dissolution period of the cloud, when the supersaturation inside the cloud decreased and the cloud began to clear, differences in isotope ratios of the different droplet sizes tended to be larger. This is likely to result from the cloud's heterogeneity, implying that larger and smaller cloud droplets have been collected at different moments in time, delivering isotope ratios from different collection times.

Stable water isotopologue ratios in fog and cloud droplets of liquid clouds are not size-dependent

Directory of Open Access Journals (Sweden)

J. K. Spiegel

2012-10-01

Full Text Available In this work, we present the first observations of stable water isotopologue ratios in cloud droplets of different sizes collected simultaneously. We address the question whether the isotope ratio of droplets in a liquid cloud varies as a function of droplet size. Samples were collected from a ground intercepted cloud (= fog during the Hill Cap Cloud Thuringia 2010 campaign (HCCT-2010 using a three-stage Caltech Active Strand Cloud water Collector (CASCC. An instrument test revealed that no artificial isotopic fractionation occurs during sample collection with the CASCC. Furthermore, we could experimentally confirm the hypothesis that the δ values of cloud droplets of the relevant droplet sizes (μm-range were not significantly different and thus can be assumed to be in isotopic equilibrium immediately with the surrounding water vapor. However, during the dissolution period of the cloud, when the supersaturation inside the cloud decreased and the cloud began to clear, differences in isotope ratios of the different droplet sizes tended to be larger. This is likely to result from the cloud's heterogeneity, implying that larger and smaller cloud droplets have been collected at different moments in time, delivering isotope ratios from different collection times.

Thermochemistry of minerals stable near the earth's surface

International Nuclear Information System (INIS)

1990-01-01

The present proposal continues the evolution, of changing emphasis from silicate melts to glass and toward crystalline minerals stable in the shallow crustal environment, particularly amphiholes, micas, and related hydrous phases adding zeolites and carbonates to our areas of interest. This is made possible both by recent advances in our high-temperature calorimetric techniques and by an interest in extending our ideas about the systematics of ionic substitutions to more complex structures. The proposal presents the following: (a) a listing of papers, theses, and abstracts in the past 3 years supported by the present grant, (b) a summary of work on glasses containing highly charged cations and on some related crystalline phases, with proposed new directions, (c) a discussion of advances in calorimetric methods and what new possibilities they open, (d) completed and planned work on amphiboles, micas, and clays, (e) completed and proposed work on amorpous low temperature materials, (f) proposed work on zeolites, and (g) proposed work on carbonates and (h) a discussion of the energy relevance of the above projects. This is followed by the required forms, budget pages, and CV. 34 refs., 5 figs., 1 tab

Synthesis and structure of large single crystalline silver hexagonal microplates suitable for micromachining

Energy Technology Data Exchange (ETDEWEB)

Lyutov, Dimitar L.; Genkov, Kaloyan V.; Zyapkov, Anton D.; Tsutsumanova, Gichka G.; Tzonev, Atanas N. [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria); Lyutov, Lyudmil G. [Department of General and Inorganic Chemistry, Faculty of Chemistry, University of Sofia, 1, J. Bouchier Blvd, Sofia (Bulgaria); Russev, Stoyan C., E-mail: scr@phys.uni-sofia.bg [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria)

2014-01-15

We report a simple one-step synthesis method of large single crystalline Ag (111) hexagonal microplates with sharp edges and a size of up to tens of microns. Single silver crystals were produced by reduction silver nitrate aqueous solution with 4-(methylamino)phenol sulfate. Scanning and transmission electron microscopy, energy-dispersive X-ray spectroscopy, selected area electron diffraction and optical microscopy techniques were combined to characterize the crystals. It is shown that the microplates can be easily dispersed and transferred as single objects onto different substrates and subsequently used as a high quality plasmonic starting material for micromachining of future nanocomponents, using modern top-down techniques like focused-ion beam milling and gas injection deposition. - Highlights: • Synthesis of large Ag hexagonal microplates with high crystallinity. • It is shown and discussed the role of twinning for the anisotropic 2D growth. • The Ag plates are stable in water and can be dispersed onto different substrates. • Their positioning and subsequent micromachining with FIB/GIS is demonstrated. • Suitable starting material for future plasmonic nanocomponents.

Stable solar-driven oxidation of water by semiconducting photoanodes protected by transparent catalytic nickel oxide films

KAUST Repository

Sun, Ke

2015-03-11

Reactively sputtered nickel oxide (NiOx) films provide transparent, antireflective, electrically conductive, chemically stable coatings that also are highly active electrocatalysts for the oxidation of water to O2(g). These NiOx coatings provide protective layers on a variety of technologically important semiconducting photoanodes, including textured crystalline Si passivated by amorphous silicon, crystalline n-type cadmium telluride, and hydrogenated amorphous silicon. Under anodic operation in 1.0 M aqueous potassium hydroxide (pH 14) in the presence of simulated sunlight, the NiOx films stabilized all of these self-passivating, high-efficiency semiconducting photoelectrodes for >100 h of sustained, quantitative solar-driven oxidation of water to O2(g). © 2015, National Academy of Sciences. All rights reserved.

Stable isotope dimethyl labelling for quantitative proteomics and beyond

Science.gov (United States)

Hsu, Jue-Liang; Chen, Shu-Hui

2016-01-01

Stable-isotope reductive dimethylation, a cost-effective, simple, robust, reliable and easy-to- multiplex labelling method, is widely applied to quantitative proteomics using liquid chromatography-mass spectrometry. This review focuses on biological applications of stable-isotope dimethyl labelling for a large-scale comparative analysis of protein expression and post-translational modifications based on its unique properties of the labelling chemistry. Some other applications of the labelling method for sample preparation and mass spectrometry-based protein identification and characterization are also summarized. This article is part of the themed issue ‘Quantitative mass spectrometry’. PMID:27644970

Liquid crystalline phases in suspensions of pigments in non-polar solvents

Science.gov (United States)

Klein, Susanne; Richardson, Robert M.; Eremin, Alexey

We will discuss colloid suspensions of pigments and compare their electro-optic properties with those of traditional dyed low molecular weight liquid crystal systems. There are several potential advantages of colloidal suspensions over low molecular weight liquid crystal systems: a very high contrast because of the high orientational order parameter of suspensions of rod shaped nano-particles, the excellent light fastness of pigments as compared to dyes and high colour saturations resulting from the high loading of the colour stuff. Although a weak `single-particle' electro-optic response can be observed in dilute suspensions, the response is very much enhanced when the concentration of the particles is sufficient to lead to a nematic phase. Excellent stability of suspensions is beneficial for experimental observation and reproducibility, but it is a fundamental necessity for display applications. We therefore discuss a method to achieve long term stability of dispersed pigments and the reasons for its success. Small angle X-ray scattering was used to determine the orientational order parameter of the suspensions as a function of concentration and the dynamic response to an applied electric field. Optical properties were investigated for a wide range of pigment concentrations. Electro-optical phenomena, such as field-induced birefringence and switching, were characterised. In addition, mixtures of pigment suspensions with small amounts of ferrofluids show promise as future magneto-optical materials.

Use of ionic liquids in synthesis of nanocrystals, nanorods and ...

Indian Academy of Sciences (India)

TECS

chalcogen powder (Se and Te) and NaBH4 in imidazolium[BMIM]-based ionic liquids as solvents at 180–200°C. Nanorods and nanowires of Se and Te ... such as elemental chalcogens and metal chalcogenides. Nanoparticles of Rh and Ir have been ... Single crystalline Te nanotubes have been synthesized by the polyol ...

Electron beam-induced Fries rearrangement of arylsulfonamides and arylsulfonates in the crystalline state

International Nuclear Information System (INIS)

Kato, Jun; Yuasa, Kanako; Yamashita, Takashi; Maekawa, Yasunari; Yoshida, Masaru

2003-01-01

Electron beam (EB)-induced reactions of organic crystals containing a carbonyl or a sulfonyl group have been investigated. The EB irradiation of benzenesulfonanilide (BSA) in the crystalline state induced the Fries rearrangement to yield o- and p-aminodiphenylsulfones as the major and minor products, respectively. Several BSA derivatives also had the same reactivity, while benzanilide as the corresponding carbonyl compound did not rearrange under the same conditions. These results showed that the S-N bond could be cleaved selectively by EB irradiation but the C-N bond couldn't, which could take place only by the use of EB. The EB irradiation of phenyl p-toluenesulfonate (PTS) crystals gave not only Fries-type products but also the oxidation product. By comparing with the reactivity of liquid phenyl benzenesulfonate, the EB-induced Fries rearrangement was suggested to proceed under crystalline lattice restrictions. The G-values of arylsulfonamides and arylsulfonates were in the range of ca. 1-2 molecules per 100 eV of absorbed energy. This is the first Fries rearrangement via direct excitation by EB irradiation. (author)

Laser-induced microscopic phase-transition on an ionic liquid

International Nuclear Information System (INIS)

Iguchi, Natsuki; Datta, Alokmay; Yoshikawa, Kenichi; Ma Yue

2009-01-01

Nematic-isotropic transition is induced in a 5 μm 'droplet' within an oriented bulk of a mixture of a liquid crystalline material with a room-temperature ionic liquid, by a laser working at 532 nm with an output power of 200 mW and a beam diameter of 1 μm. No microscopic phase transition is observed either in absence of the ionic liquid or at the other wavelength of 1064 nm, available to the Nd-YAG laser. This indicates the essential role on a resonant transfer of energy to the ionic liquid from the laser radiation, which is subsequently transferred to the liquid crystal. Spectroscopy of the pure liquid crystal and ionic liquid samples confirms this concept. Spatio-temporal image of the droplet growth shows, however, that the phase transition remains confined within the microscopic domain for the first 50 s, and then spreads out rapidly. Since resonant, quantum transitions between molecular levels takes place in less than microseconds, the about seven orders of magnitude slowing down of energy transfer observed here suggests unique hierarchical dynamics including the coupling between the intra-molecular motions in the ionic liquid and the inter-molecular forces between ionic liquid and liquid crystal.

Proton-conductive materials formed by coumarin photocrosslinked ionic liquid crystal dendrimers

NARCIS (Netherlands)

Concellon, A.; Liang, T.; Schenning, A.P.H.J.; Luis Serrano, J.; Romero, P.; Marcos, M.

2018-01-01

In this work, we have successfully examined for the first time the use of ionic dendrimers as building blocks for the preparation of 1D and 2D proton conductive materials. For this purpose, a new family of liquid crystalline dendrimers has been synthesized by ionic self-assembly of poly(amidoamine)

Influence of lead-related centers on luminescence of Ce3+ and Pr3+ centers in single crystalline films of aluminium perovskites and garnets

International Nuclear Information System (INIS)

Babin, V.; Gorbenko, V.; Krasnikov, A.; Makhov, A.; Nikl, M.; Zazubovich, S.; Zorenko, Yu.

2010-01-01

Luminescence characteristics of Ce 3+ - and Pr 3+ -doped aluminium perovskite (LuAlO 3 , YAlO 3 ) and garnet (Lu 3 Al 5 O 12 , Y 3 Al 5 O 12 ) single crystalline films, prepared by the liquid phase epitaxy method with the use of the PbO-based flux, were investigated by the time-resolved spectroscopy methods in the 80-300 K temperature range. The influence of various lead-related centers on the characteristics of the Ce 3+ - and Pr 3+ -related luminescence centers was studied. It was found that the presence of lead-related centers in the single crystalline films results in a decrease of the quantum efficiency and appearance of undesirable slow components in the luminescence decay kinetics. The possibilities of improving the scintillation characteristics of the single crystalline films were considered.

Importance of crystallinity of anchoring block of semi-solid amphiphilic triblock copolymers in stabilization of silicone nanoemulsions.

Science.gov (United States)

Le Kim, Trang Huyen; Jun, Hwiseok; Nam, Yoon Sung

2017-10-01

Polymer emulsifiers solidified at the interface between oil and water can provide exceptional dispersion stability to emulsions due to the formation of unique semi-solid interphase. Our recent works showed that the structural stability of paraffin-in-water emulsions highly depends on the oil wettability of hydrophobic block of methoxy poly(ethylene glycol)-block-poly(ε-caprolactone) (mPEG-b-PCL). Here we investigate the effects of the crystallinity of hydrophobic block of triblock copolymer-based emulsifiers, PCLL-b-PEG-b-PCLL, on the colloidal properties of silicone oil-in-water nanoemulsions. The increased ratio of l-lactide to ε-caprolactone decreases the crystallinity of the hydrophobic block, which in turn reduces the droplet size of silicone oil nanoemulsions due to the increased chain mobility at the interface. All of the prepared nanoemulsions are very stable for a month at 37°C. However, the exposure to repeated freeze-thaw cycles quickly destabilizes the nanoemulsions prepared using the polymer with the reduced crystallinity. This work demonstrates that the anchoring chain crystallization in the semi-solid interphase is critically important for the structural robustness of nanoemulsions under harsh physical stresses. Copyright © 2017 Elsevier Inc. All rights reserved.

neutron transmission through crystalline materials

International Nuclear Information System (INIS)

El Mesiry, M.S.

2011-01-01

The aim of the present work is to study the neutron transmission through crystalline materials. Therefore a study of pyrolytic graphite (PG) as a highly efficient selective thermal neutron filter and Iron single crystal as a whole one, as well as the applicability of using their polycrystalline powders as a selective cold neutron filters is given. Moreover, the use of PG and iron single crystal as an efficient neutron monochromator is also investigated. An additive formula is given which allows calculating the contribution of the total neutron cross-section including the Bragg scattering from different )(hkl planes to the neutron transmission through crystalline iron and graphite. The formula takes into account their crystalline form. A computer CFe program was developed in order to provide the required calculations for both poly- and single-crystalline iron. The validity of the CFe program was approved from the comparison of the calculated iron cross-section data with the available experimental ones. The CFe program was also adapted to calculate the reflectivity from iron single crystal when it used as a neutron monochromator The computer package GRAPHITE, developed in Neutron Physics laboratory, Nuclear Research Center, has been used in order to provide the required calculations for crystalline graphite in the neutron energy range from 0.1 meV to 10 eV. A Mono-PG code was added to the computer package GRAPHITE in order to calculate the reflectivity from PG crystal when it used as a neutron monochromator.

Hydrodynamics of isotropic and liquid crystalline active polymer solutions.

Science.gov (United States)

Ahmadi, Aphrodite; Marchetti, M C; Liverpool, T B

2006-12-01

We describe the large-scale collective behavior of solutions of polar biofilaments and stationary and mobile crosslinkers. Both mobile and stationary crosslinkers induce filament alignment promoting either polar or nematic order. In addition, mobile crosslinkers, such as clusters of motor proteins, exchange forces and torques among the filaments and render the homogeneous states unstable via filament bundling. We start from a Smoluchowski equation for rigid filaments in solutions, where pairwise crosslink-mediated interactions among the filaments yield translational and rotational currents. The large-scale properties of the system are described in terms of continuum equations for filament and motor densities, polarization, and alignment tensor obtained by coarse-graining the Smoluchovski equation. The possible homogeneous and inhomogeneous states of the systems are obtained as stable solutions of the dynamical equations and are characterized in terms of experimentally accessible parameters. We make contact with work by other authors and show that our model allows for an estimate of the various parameters in the hydrodynamic equations in terms of physical properties of the crosslinkers.

Iron Fibers Arrays Prepared by Electrodepositing in Reverse Liquid Crystalline

Institute of Scientific and Technical Information of China (English)

ZHAO Suling; LIN Dong; GUAN Jianguo; ZHANG Lianmeng

2006-01-01

Ordered iron fiber arrays were electrodeposited on the surface of zinc foils using "FeSO4 solution-sodium caprylate-Decanol" 3-component reverse hexagonal liquid crystal as soft templates. The structure of the soft templates and the synthesized iron fibers were characterized by polarizing microscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray microanalysis etc. The experimental results show that the synthesized iron fibers with α crystal phase grew up in the form of fiber clusters of about 200 nm along the direction perpendicular to the cathode surface. Each cluster was composed of several tens of fibers. The fibers had almost the same length of more than 10 μm with a diameter of about 50 nm.

Erasing no-man’s land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles

Science.gov (United States)

Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

2014-09-01

One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point located in the `no-man’s land’. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, as spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon, carbon and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

Magnetically robust non-fermi liquid behavior due to the competition between crystalline-electric field singlet and Kondo-Yosida singlet in f2-based heavy fermion systems

International Nuclear Information System (INIS)

Nishiyama, Shinya; Matsuura, Hiroyasu; Miyake, Kazumasa

2011-01-01

In f 2 -based heavy fermion systems with a tetragonal symmetry, we investigate the magnetic field dependence of a non-fermi liquid (NFL) which arises related to the quantum critical point (QCP) due to the competition between the crystalline-electric field (CEF) singlet and the Kondo-Yosida singlet states. On the basis of the Wilson numerical renormalization group method, we find that the magnetic field less than a characteristic magnetic field H z * does not affect the characteristic temperature T F * at which the specific heat takes a maximum value. Since such H z * increases as the deviation from the QCP increases, slightly off the QCP, there are parameter regions where NFL behaviors are robust at an observable temperature range T > T F *against a magnetic field of up to H z * which is far larger than T F *. Our result suggests that such robust NFL behaviors can arise also in systems with other CEF symmetries; e.g., magnetically robust NFL behaviors observed in UBe 13 may be understood on this basis.

Metal impurities profile in a 450kg multi-crystalline silicon ingot by Cold Neutron Prompt Gamma-ray Activation Analysis

International Nuclear Information System (INIS)

Baek, Hani; Sun, Gwang Min; Kim, Ji seok; Oh, Mok; Chung, Yong Sam; Moon, Jong Hwa; Kim, Sun Ha; Baek, Sung Yeol; Tuan, Hoang Sy Minh

2014-01-01

Metal impurities are harmful to multi-crystalline silicon solar cells. They reduce solar cell conversion efficiencies through increased carrier recombination. They are present as isolated point-like impurities or precipitates. This work is to study the concentration profiles of some metal impurities of the directionally solidified 450kg multi-crystalline silicon ingot grown for solar cell production. The concentration of such impurities are generally below 10 15 cm -3 , and as such cannot be detected by physical techniques such as secondary-ion-mass spectroscopy(SIMS). So, we have tried to apply Cold Neutron - Prompt Gamma ray Activation Analysis(CN-PGAA) at the HANARO reactor research. The impurity concentrations of Au, Mn, Pt, Mo of a photovoltaic grade multi-crystalline silicon ingot appear by segregation from the liquid to the solid phase in the central region of the ingot during the crystallization. In the impurities concentration of the bottom region is higher than middle region due to the solid state diffusion. Towards the top region the segregation impurities diffused, during cooling process

Crystallinity in starch plastics: consequences for material properties

NARCIS (Netherlands)

Soest, van J.J.G.; Vliegenthart, J.F.G.

1997-01-01

The processing of starches with biodegradable additives has made biodegradable plastics suitable for a number of applications. Starch plastics are partially crystalline as a result of residual crystallinity and the recrystallization of amylose and amylopectin. Such crystallinity is a key determinant

Metastable liquid-liquid transition in a molecular model of water

Science.gov (United States)

Palmer, Jeremy C.; Martelli, Fausto; Liu, Yang; Car, Roberto; Panagiotopoulos, Athanassios Z.; Debenedetti, Pablo G.

2014-06-01

Liquid water's isothermal compressibility and isobaric heat capacity, and the magnitude of its thermal expansion coefficient, increase sharply on cooling below the equilibrium freezing point. Many experimental, theoretical and computational studies have sought to understand the molecular origin and implications of this anomalous behaviour. Of the different theoretical scenarios put forward, one posits the existence of a first-order phase transition that involves two forms of liquid water and terminates at a critical point located at deeply supercooled conditions. Some experimental evidence is consistent with this hypothesis, but no definitive proof of a liquid-liquid transition in water has been obtained to date: rapid ice crystallization has so far prevented decisive measurements on deeply supercooled water, although this challenge has been overcome recently. Computer simulations are therefore crucial for exploring water's structure and behaviour in this regime, and have shown that some water models exhibit liquid-liquid transitions and others do not. However, recent work has argued that the liquid-liquid transition has been mistakenly interpreted, and is in fact a liquid-crystal transition in all atomistic models of water. Here we show, by studying the liquid-liquid transition in the ST2 model of water with the use of six advanced sampling methods to compute the free-energy surface, that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. We follow the rearrangement of water's coordination shell and topological ring structure along a thermodynamically reversible path from the low-density liquid to cubic ice. We also show that the system fluctuates freely between the two liquid phases rather than crystallizing. These findings provide unambiguous evidence for a liquid-liquid transition in

Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate

Directory of Open Access Journals (Sweden)

Rulong Zhou

2014-03-01

Full Text Available Although CO_{2} and SiO_{2} both belong to group-IV oxides, they exhibit remarkably different bonding characteristics and phase behavior at ambient conditions. At room temperature, CO_{2} is a gas, whereas SiO_{2} is a covalent solid with rich polymorphs. A recent successful synthesis of the silicon-carbonate solid from the reaction between CO_{2} and SiO_{2} under high pressure [M. Santoro et al., Proc. Natl. Acad. Sci. U.S.A. 108, 7689 (2011] has resolved a long-standing puzzle regarding whether a Si_{x}C_{1−x}O_{2} compound between CO_{2} and SiO_{2} exists in nature. Nevertheless, the detailed atomic structure of the Si_{x}C_{1−x}O_{2} crystal is still unknown. Here, we report an extensive search for the high-pressure crystalline structures of the Si_{x}C_{1−x}O_{2} compound with various stoichiometric ratios (SiO_{2}:CO_{2} using an evolutionary algorithm. Based on the low-enthalpy structures obtained for each given stoichiometric ratio, several generic structural features and bonding characteristics of Si and C in the high-pressure phases are identified. The computed formation enthalpies show that the SiC_{2}O_{6} compound with a multislab three-dimensional (3D structure is energetically the most favorable at 20 GPa. Hence, a stable crystalline structure of the elusive Si_{x}C_{1−x}O_{2} compound under high pressure is predicted and awaiting future experimental confirmation. The SiC_{2}O_{6} crystal is an insulator with elastic constants comparable to typical hard solids, and it possesses nearly isotropic tensile strength as well as extremely low shear strength in the 2D plane, suggesting that the multislab 3D crystal is a promising solid lubricant. These valuable mechanical and electronic properties endow the SiC_{2}O_{6} crystal for potential applications in tribology and nanoelectronic devices, or as a stable solid-state form for CO_{2} sequestration.

Erasing no-man's land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles.

Science.gov (United States)

Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

2014-09-01

One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point [1] located in the "no-man's land" [2]. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, since spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water [3, 4]. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon [5], carbon [6] and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

Coarse-grained model for the interconversion between different crystalline cellulose allomorphs

Energy Technology Data Exchange (ETDEWEB)

Langan, Paul [ORNL

2012-01-01

We present the results of Langevin dynamics simulations on a coarse grained model for crystalline cellulose. In particular, we analyze two different cellulose crystalline forms: cellulose I (the natural form of cellulose) and cellulose IIII (obtained after cellulose I is treated with anhydrous liquid ammonia). Cellulose IIII has been the focus of wide interest in the field of cellulosic biofuels as it can be efficiently hydrolyzed to glucose (its enzymatic degradation rates are up to 5 fold higher than those of cellulose I ). In turn, glucose can eventually be fermented into fuels. The coarse-grained model presented in this study is based on a simplified geometry and on an effective potential mimicking the changes in both intracrystalline hydrogen bonds and stacking interactions during the transition from cellulose I to cellulose IIII. The model accurately reproduces both structural and thermomechanical properties of cellulose I and IIII. The work presented herein describes the structural transition from cellulose I to cellulose IIII as driven by the change in the equilibrium state of two degrees of freedom in the cellulose chains. The structural transition from cellulose I to cellulose IIII is essentially reduced to a search for optimal spatial arrangement of the cellulose chains.

Nanoscale crystallinity modulates cell proliferation on plasma sprayed surfaces

Energy Technology Data Exchange (ETDEWEB)

Smith, Alan M. [School of Applied Sciences, University of Huddersfield, Huddersfield HD1 3DH (United Kingdom); Paxton, Jennifer Z.; Hung, Yi-Pei; Hadley, Martin J.; Bowen, James; Williams, Richard L. [School of Chemical Engineering, University of Birmingham, Edgbaston, B15 2TT (United Kingdom); Grover, Liam M., E-mail: l.m.grover@bham.ac.uk [School of Chemical Engineering, University of Birmingham, Edgbaston, B15 2TT (United Kingdom)

2015-03-01

Calcium phosphate coatings have been applied to the surface of metallic prostheses to mediate hard and soft tissue attachment for more than 40 years. Most coatings are formed of high purity hydroxyapatite, and coating methods are often designed to produce highly crystalline surfaces. It is likely however, that coatings of lower crystallinity can facilitate more rapid tissue attachment since the surface will exhibit a higher specific surface area and will be considerably more reactive than a comparable highly crystalline surface. Here we test this hypothesis by growing a population of MC3T3 osteoblast-like cells on the surface of two types of hip prosthesis with similar composition, but with differing crystallinity. The surfaces with lower crystallinity facilitated more rapid cell attachment and increased proliferation rate, despite having a less heterogeneous surface topography. This work highlights that the influence of the crystallinity of HA at the nano-scale is dominant over macro-scale topography for cell adhesion and growth. Furthermore, crystallinity could be easily adjusted by without compromising coating purity. These findings could facilitate designing novel coated calcium phosphate surfaces that more rapidly bond tissue following implantation. - Highlights: • Crystallinity of HA at the nano-scale was dominant over macro-scale topography. • Lower crystallinity caused rapid cell attachment and proliferation rate. • Crystallinity could be easily adjusted by without compromising coating purity.

Nanoscale crystallinity modulates cell proliferation on plasma sprayed surfaces

International Nuclear Information System (INIS)

Smith, Alan M.; Paxton, Jennifer Z.; Hung, Yi-Pei; Hadley, Martin J.; Bowen, James; Williams, Richard L.; Grover, Liam M.

2015-01-01

Calcium phosphate coatings have been applied to the surface of metallic prostheses to mediate hard and soft tissue attachment for more than 40 years. Most coatings are formed of high purity hydroxyapatite, and coating methods are often designed to produce highly crystalline surfaces. It is likely however, that coatings of lower crystallinity can facilitate more rapid tissue attachment since the surface will exhibit a higher specific surface area and will be considerably more reactive than a comparable highly crystalline surface. Here we test this hypothesis by growing a population of MC3T3 osteoblast-like cells on the surface of two types of hip prosthesis with similar composition, but with differing crystallinity. The surfaces with lower crystallinity facilitated more rapid cell attachment and increased proliferation rate, despite having a less heterogeneous surface topography. This work highlights that the influence of the crystallinity of HA at the nano-scale is dominant over macro-scale topography for cell adhesion and growth. Furthermore, crystallinity could be easily adjusted by without compromising coating purity. These findings could facilitate designing novel coated calcium phosphate surfaces that more rapidly bond tissue following implantation. - Highlights: • Crystallinity of HA at the nano-scale was dominant over macro-scale topography. • Lower crystallinity caused rapid cell attachment and proliferation rate. • Crystallinity could be easily adjusted by without compromising coating purity

Liquid Phase Epitaxial Growth of Al-doped f-SiC for White Light-Emitting Diodes

DEFF Research Database (Denmark)

Tang, Kai; Ma, Xiang; can der Eijk, Casper